,smiles,scaffold,p
0,CC(C)(C)C1CCN(CCN2CCN(c3ccccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77176833
1,CC(C)OC(=O)c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51862806
2,CCCOc1ccc(OCN2CCC(C(=O)c3ccc(Cl)cc3)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39119554
3,CCCOc1ccc(OCN2CCN(c3ccccc3OC)CC2)c(S(=O)(=O)Cc2cccc(OC)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.68343097
4,CCCOc1ccc(OCOc2ccccc2C(C)C)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13108744
5,CCCOc1ccc(OCl)c(NC(=O)Cc2ccc3ccccc3c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0070156353
6,CCCOc1ccc(ON)c(CCOc2ccccc2Cl)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16822386
7,CCCOc1ccc(ON2CCN(C)CC2)c(Cc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3464783
8,CCCOc1ccc(ON2CCN(Cc3ccc(F)c(F)c3)CC2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3531829
9,CCCOc1ccc(ON=S(C)(=O)O)c(NC(=O)Cc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08346632
10,CCCOc1ccc(ONC(=O)c2ccccc2)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6828881
11,CCCOc1ccc(ONS(C)(=O)=O)c(Cn2ccc(=O)c(CCC)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06842518
12,CCCOc1ccc(OO)c(N2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35431367
13,CCCOc1ccc(OS(C)(=O)=O)c(N2C(=O)CCC2c2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16685757
14,CCCc1ccc(C(=O)NCCOc2ccc(OC)c(NS(C)(=O)=O)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.033018477
15,CCN(Cc1ccccc1)C(=O)c1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50233597
16,CCOOc1ccc(OCCNCCc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.19943134
17,CCOc1ccccc1N1CCN(CCN2CCC(c3nc4ccccc4s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.795294
18,CCSCc1cc(OCCN2CCCC(Cc3ccccc3)C2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.5329888
19,CCc1cccc(CN2CCN(CCCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63737583
20,CN(Cc1ccccc1)Cc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7194995
21,COC1CCN(CCN2CCN(c3ccccc3C(=O)NCc3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7259658
22,COC1CCN(CCN2CCN(c3ccccc3Cn3c(O)cc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7038482
23,COCCCN1CCN(Cc2cccc(-c3cc(-c4ccco4)co3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.47726104
24,COCCCN1CCN(Cc2cccc(-c3cccc(C(=O)OC)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3682571
25,COCCOc1ccc(OC)c(N2CCN(C(=O)c3ccco3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.056931432
26,COCCOc1ccc(OCCn2ccc(C)cc2=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07184807
27,COCCOc1ccc(ONCCc2cncc3ccc(C(C)=O)cc23)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.021522999
28,COOc1ccc(OCCCN2CCC(c3ccccc3OC3CC3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.7488802
29,COc1cc(C(=O)NCCN2CCN(N)CC2)ccc1-c1ccccc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2573489
30,COc1cc(CO)cc(-c2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67818195
31,COc1cc2c(cc1-c1cccn1C)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8412068
32,COc1cc2c(cc1C[N+](=O)[O-])CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.546709
33,COc1cc2c(cc1Cc1ccccc1Cl)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7523764
34,COc1cc2c(cc1O)CCN1Cc3c(C=CCc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76340854
35,COc1cc2c(cc1O)CCN1Cc3c(Cc4cc(C#N)cc5ccccc45)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65522677
36,COc1cc2c(cc1OC)C1Cc3cccc(C4CCCCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64186275
37,COc1cc2c(cc1OC)C1Cc3cccc(Cc4cc5ccccc5[nH]4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7350471
38,COc1ccc(Br)c(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c1OC,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7488907
39,COc1ccc(COc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8709203
40,COc1ccc(OCCC(=O)COc2ccc(F)cc2)cc1CN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.21360622
41,COc1ccc(OCCC(N)=O)cc1CCCc1cccc2c1NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.15853275
42,COc1ccc(OCCC=O)cc1N1CCN(c2cccc(C(F)(F)F)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.32435808
43,COc1ccc(OCCCF)cc1S(=O)(=O)c1ccccc1C=O,[*]CCOc1ccc(O[*])c([*])c1,0.09644403
44,COc1ccc(OCCCNC(=O)Cc2ccccc2)cc1SCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.03984488
45,COc1ccc(OCCCS(C)(=O)=O)cc1CNC1CCNS1(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.152372
46,COc1ccc(OCCN2CCC(C(=O)N3CCCCC3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2339053
47,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)CC(=O)CC4)CC2)cc1NC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.38812226
48,COc1ccc(OCCN2CCC(Cc3ccc4ccccc4c3)CC2)cc1N=S(=O)(O)O,[*]CCOc1ccc(O[*])c([*])c1,0.570436
49,COc1ccc(OCCN2CCC(c3cccc(C(F)(F)F)c3)CC2)cc1C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.6137855
50,COc1ccc(OCCN2CCCC(c3ccccc3)C2)cc1C(=O)NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.37806416
51,COc1ccc(OCCN2CCN(Cc3cccc4c3CCC4C(C)=O)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.4539036
52,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(Oc2ccc(SC)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1625788
53,COc1ccc2c(c1)CC(c1ccccc1N1CCN(CCN3CCC(Cl)CC3)CC1)=CC(O)=N2,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.61371255
54,COc1cccc(CN2CCN(CCCCc3cc(C=Cc4ccccc4)co3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7625628
55,COc1cccc2c1CN1CCc3cc(-c4ccc([N+](C)N=CO)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6240021
56,COc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75968134
57,COc1cccn(CCCCCN2CCN(Cc3cccc(F)c3)CC2)c1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5545235
58,COc1cccn1CCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.651275
59,Cc1cc(OCCCN2CCN(Cc3cccc(C(=O)N4CCOCC4)c3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.20409837
60,Cc1cc(OCCF)ccc1ON1CCN(C(=O)c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.06950429
61,Cc1cc(OCCN2CCC(NS(=O)(=O)c3cccs3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.68593603
62,Cc1cc(OCCNC(=O)c2ccc3c(c2)NC(=O)CC3)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.076267764
63,Cc1ccccc1OC1CCN(Oc2ccc(OCCCC(=O)c3ccc(F)cc3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.17795013
64,Clc1ccccc1N1CCN(CCN2CCC(COc3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8136299
65,FCCCN1CCN(Cc2cccc(-c3ccccc3-c3cccc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66471565
66,Nc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8089212
67,O=C(NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)c1ccnc2ccccc12,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7792103
68,O=S(=O)(c1ccccc1)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63236755
69,O=c1cc2ccccc2cn1Cc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6004743
70,Oc1cc(-c2cc(O)n(C3CCN(CCN4CCN(c5ccccc5Cl)CC4)CC3)c2)c[nH]1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82966876
71,Oc1cc2c(cc1-c1cccc(CF)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75034153
72,C=CCN1CCCC(C(=O)Nc2cc(OCCCOC(C)=O)ccc2OC)C1,[*]CCOc1ccc(O[*])c([*])c1,0.16063869
73,CC(=O)c1cc(OCCF)ccc1OCN1CCC(Cc2ccc3ccccc3c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.41286093
74,CC(=O)c1ccc(S(=O)(=O)NCCOc2ccc(OOC(C)C)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.022777446
75,CC(C)Oc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.765792
76,CC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccccc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7912388
77,CCC(CNC(=O)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)N=O,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.377889
78,CCCC(=O)Oc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56671023
79,CCCCOc1ccc(ON2CCN(c3ccccc3OC)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3312041
80,CCCOc1ccc(OC=[SH]O)c(Cn2sc3ccccc3c2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05042929
81,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCCC(Cc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16717423
82,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCN(Cc3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6162841
83,CCCOc1ccc(OOC)c(NC(=O)c2cccc(C(C)=O)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.026793921
84,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(c3ccccc3C3CCCCC3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28013688
85,CCCOc1ccc(OS(N)(=O)=O)c(N2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28595632
86,CCCOc1ccc(OSC)c(-c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10428667
87,CCCOc1ccc(OSC)c(CN2CCC(O)(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.63707644
88,CCCc1cc2c(cc1OC)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6996683
89,CCOc1cccc(CN2CCN(CCCc3ccc(SC)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56101876
90,CCc1ccc(S(=O)(=O)NCCOc2ccc(OS(C)(=O)=O)c(C)c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.057112392
91,CN=Cc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65021694
92,COC1CCN(CCN2CCN(c3ccccc3-c3cccc(-c4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84458834
93,COCCCN1CCN(Cc2cccc(C3CCC(NC(=O)c4cccs4)CC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4585694
94,CON1CCN(CCNC(=O)c2ccc(O)c(-c3ccc4ccccc4c3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35628116
95,COOc1ccc(OCCC2CCc3ccc(OCC4CCCCC4)cc3N2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.27106676
96,COc1cc(C(=O)NCCN2CCN([N+](=O)[O-])CC2)ccc1-c1cccc(C)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.1492722
97,COc1cc2c(cc1-c1ccc(COC(C)C)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6953527
98,COc1cc2c(cc1Cc1cccc([N+](=O)C(C)O)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6773786
99,COc1cc2c(cc1O)C1Cc3cccc(C=NOCc4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6592844
100,COc1cc2c(cc1O)C1Cc3cccc(CN4CCCC4=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42468214
101,COc1cc2c(cc1O)C1Cc3cccc(NC(=O)OCc4ccc(C(F)(F)F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35618255
102,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc(O)c5ccccc45)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7840543
103,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cccc4[nH]cnc34)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6699726
104,COc1cc2c(cc1OC)C1Cc3cccc(C4=CCCCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6707773
105,COc1ccc(-c2ccc(C(=O)NCCN3CCN(O)CC3)cc2OC)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26209345
106,COc1ccc(C(=O)NCCN2CCN(c3ccccc3OC(C)C)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.85071295
107,COc1ccc(CCc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.87313753
108,COc1ccc(OCCC(=O)CCCc2ccccc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.06897652
109,COc1ccc(OCCCCC(=O)c2cc3ccccc3s2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08339407
110,COc1ccc(OCCCN2CCCCC2)cc1OC(=O)COc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.34670362
111,COc1ccc(OCCCOCc2ccccc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13217229
112,COc1ccc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6426934
113,COc1ccc(OCCNCC2CCN(Cc3ccccc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.26809978
114,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCCC(Cc2ccc3c(c2)NC(=O)CC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.25643003
115,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(C2CCCC2=O)=CC=C2C=CC(CC1)O2,[*]CCOc1ccc(O[*])c([*])c1,0.26350272
116,COc1cccc(CN2CCN(CCCCNC(=O)c3cc4ccc3CCc3ccc(cc3)CC4)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6327128
117,COc1ccccc1N1CCN(CCCOc2ccc(ONC(=O)Cc3cccnc3)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.823582
118,COc1ccccc1N1CCN(CCN2CCC(CCNC(=O)c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7077871
119,COc1ccccc1N1CCN(CCN2CCC(c3cc4cc(O)ccc4[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78021115
120,CSOc1ccc(OCCN2CCC(COc3cc(N)c4c(c3)OCCC(=O)CC4)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.42699197
121,CSc1cccc(CN2CCN(CCCCN3c4ccccc4CS3(=O)=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7742699
122,Cc1cc(OCCC(C)COc2ccccc2)ccc1ONS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.086714745
123,Cc1cc(OCCN2CCC(NS(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.59958845
124,Cc1cc(OCCN2CCN(Cc3ccc(Cl)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.41372594
125,Cc1cc(OCCN2CCNC2=O)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.1633079
126,Cc1cc(OCCNCCc2ccc3c(c2)CCCC(=O)N3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.15416656
127,Cc1cc(OCCNCc2cc3ccccc3s2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.1482363
128,Cc1cc(OCCNS(C)(=O)=O)ccc1OCCCc1ccc(C2CCN(C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.35349426
129,Cc1cc(OCCNS(C)(=O)=O)ccc1ONCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.09823894
130,Cc1cccc(CN2CCN(CCCCN3C(=O)C(=O)c4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7261868
131,Cc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3cc(F)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66434157
132,Cc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3cccc(F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6954233
133,Cc1ccccc1N1CCN(CCN2CCC(n3cccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65900654
134,ClC1CCN(CCN2CCN(c3ccccc3-c3nccs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80262524
135,Cn1c(=O)oc2cc(-c3cccc(CN4CCN(CCCCl)CC4)c3)ccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6193672
136,N#Cc1ccc(NCc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48326164
137,N#Cc1ccc(Oc2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8393876
138,O=C(NCCCCN1CCN(Cc2cccc(Cl)c2)CC1)C1Cc2ccccc2-c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7010877
139,O=C(NCc1cccc(CN2CCN(CCCOC(F)(F)F)CC2)c1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51790667
140,O=C(O)Nc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.32612184
141,O=C1CCc2ccc(-c3cccc(CN4CCN(CCCO)CC4)c3)cc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7041536
142,O=[N+](c1ccccc1)c1c[nH]c(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5298388
143,Oc1cccc2c1CN1CCc3cc(Cc4cc[nH]c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6709252
144,C=Cc1ccccc1OC1CCC(NCCOc2ccc(OS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.17246537
145,CC(=O)N1CCN(CCNC(=O)c2ccc(Cl)c(-c3ccccc3Cl)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.20761852
146,CC(C)OC1CCN(CCN2CCN(c3ccccc3-n3cc(-c4ccccc4)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7189002
147,CCCCN1CCN(Cc2cccc(C3OCCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6107317
148,CCCCc1ccc(CCOc2ccc(OC)c(N=S(C)(=O)O)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07654873
149,CCCOc1ccc(ON)c(N2CCN(c3ccccc3C(C)C)C(=O)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19842823
150,CCCOc1ccc(ONC(=O)Cc2ccc3c(c2)NC(=O)CC3)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11306489
151,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCCC(C(=O)c3ccc(OC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16973794
152,CCCOc1ccc(OS(C)(=O)=O)c(C(C)COc2ccc3c(c2)NC(C=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33755055
153,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC3C=CC(=CC=C(OC4CCCCC4)C2)C3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23265257
154,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(Cc3noc4ccccc34)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2809273
155,CCCOc1ccc(OSC)c(N2CCN(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33050674
156,CCOc1cc2c(cc1OC)CCN1Cc3c(COCc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69361055
157,CCOc1cccc(-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55749685
158,CCOc1ccccc1N1CCN(CCN2CCC(c3cccc(O)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8005727
159,CCS(=O)(=O)c1cc2c(cc1O)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.716645
160,CCc1cccc(-c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64616734
161,CNC1CCc2ccc(OCC(=O)CCOc3ccc(ON=S(C)(=O)O)c(C)c3)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.23479119
162,CNCc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6061551
163,COC(=O)NCc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47360414
164,COC1CCN(CCN2CCN(c3ccccc3-n3cc4cccnc4c3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7073177
165,COCCCN1CCN(Cc2cccc(CC(=O)N3CCCCC3c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.44692582
166,COCCCN1CCN(Cc2cccc(CN=C3c4ccccc4C(=O)N3c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53156537
167,COOc1ccc(OCCNCC(=O)Cc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.07966076
168,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1c(C)cccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.21139279
169,COc1cc2c(cc1CO)C1Cc3cccc(OCc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5937383
170,COc1cc2c(cc1Cl)C1Cc3cccc(COCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8143344
171,COc1cc2c(cc1O)C1Cc3cccc(CCc4ccc(N5CCCNC5=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5591945
172,COc1cc2c(cc1O)C1Cc3cccc(CNC(=O)Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.313811
173,COc1cc2c(cc1O)C1Cc3cccc(Cc4cccc(C[N+](=O)[O-])c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55585074
174,COc1cc2c(cc1OC)C1Cc3cccc(CCN4CCCCC4=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48523524
175,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc5cc[nH]c5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67862076
176,COc1cc2c(cc1OC)C1Cc3cccc(OC(=O)OCc4ccc(C=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41820025
177,COc1cc2c(cc1OC)C1Cc3cccc(S(=O)(=O)N(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6874968
178,COc1ccc(OCCC=O)cc1CN1CCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7071738
179,COc1ccc(OCCCC(=O)c2ccc(F)cc2)cc1NC(=O)C1CCCNC1,[*]CCOc1ccc(O[*])c([*])c1,0.12422482
180,COc1ccc(OCCN2CC(C)CC(c3ccccc3C)C2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.33306333
181,COc1ccc(OCCN2CCC(c3ccc(C(C)=O)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.48471928
182,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(Sc2ccccc2)C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.17123796
183,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCC(Cc2ccc(C3CCCC(=O)N3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.1832822
184,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1N1CCN(CC(C)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2902019
185,COc1ccc(OCCNCC2CCc3ccccc3C2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3225048
186,COc1ccc2nc(O)ccc2c1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6830404
187,COc1cccc(CN2CCN(CCCn3c(O)cc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68718815
188,COc1cccc2c1CN1CCc3cc(CONCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5959321
189,COc1cccc2c1CN1CCc3cc(OCc4ccccc4Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62093896
190,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cc(C#N)c4ccccc4c3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80789304
191,COc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3ccc4cccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7931033
192,COc1ccccc1N1CCN(Oc2ccc(OCCF)cc2NC(=O)C=S(=O)(O)O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.17068146
193,CSOc1ccc(OCCNCC2C(=O)CCc3ccc(S(C)(=O)=O)cc32)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.16555607
194,Cc1cc(OCCCCCc2ccc3c(c2)NC(=O)CC3)ccc1OS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.16877647
195,Cc1cc(OCCF)ccc1OCNCC1CCc2ccc(S(C)(=O)=O)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.20322348
196,Cc1cc(OCCF)ccc1ONCCc1ccc2c(c1)OC(C)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.28985474
197,Cc1cc(OCCF)ccc1OSCN(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.12340169
198,Cc1cc(OCCN2CCC(Cc3ccccc3)CC2)ccc1ON1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.3820828
199,Cc1cc(OCCN2CCCC(Cc3ccc(OC4CCCCC4)cc3)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3524306
200,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCN(C)C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.19127342
201,Cc1cc(OCCNC(C)Cc2ccccc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.06395541
202,FCCCN1CCN(Cc2cccc(COc3cccc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6052378
203,Fc1ccccc1N1CCN(CCN2CCC(Nc3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69508636
204,O=C(NC1CCN(CCN2CCN(c3ccccc3OC(F)(F)F)CC2)CC1)c1ccc(F)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85225195
205,O=C1CCc2cccc(CCCN3CCN(Cc4cccc(F)c4)CC3)c2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7308033
206,O=C1c2ccccc2C[SH]1(=O)c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62545085
207,O=S(=O)(c1cccc(CN2CCN(CCCc3ccc(F)cc3)CC2)c1)C1CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65856975
208,O=[N+](Cc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2)c1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46128
209,Oc1cc2c(cc1NC1CCCCC1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4572483
210,Oc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(Cc4cccc(C(F)(F)F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6393007
211,Oc1ccc2cc(OC3CCN(CCN4CCN(c5ccccc5C(F)(F)F)CC4)CC3)ccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7095121
212,C=CCN1CCCC1C(=O)Nc1cc(OCCCNC(C)=O)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.11754053
213,CC(C)S(=O)(=O)NCCOc1ccc(ONS(C)(=O)=O)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08289642
214,CC(C)c1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccccc4)ccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7555334
215,CC1(CCCN2CCN(Cc3cccc(Cl)c3)CC2)CC(=O)Nc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.45315567
216,CC1(c2ccccc2)CCC1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6657446
217,CC1CN(C(=O)c2cccc(CN3CCN(CCCCl)CC3)c2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51736015
218,CCCCc1cc(O)n(CCCOc2ccc(OOC)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06844408
219,CCCOc1ccc(OC)c(S(=O)(=O)c2ccccc2C(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.112146094
220,CCCOc1ccc(OC=O)c(N2CCC(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34084696
221,CCCOc1ccc(OF)c(CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11393558
222,CCCOc1ccc(ON)c(N2CCC(Oc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.41877183
223,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(Oc3ccc4cccc(=O)cc4c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22187497
224,CCCOc1ccc(OOC(C)=O)c(CCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06752002
225,CCCOc1ccc(OOC)c(CNC(=O)c2ccccc2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.022120124
226,CCCc1cc2c(cc1O)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7369501
227,CCOc1ccccc1N1CCN(CCN2CCC(c3cccc(OC)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8783174
228,CCc1cc2c(cc1OC)C1Cc3cccc(-c4cccs4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7263923
229,CNc1ccc(-c2cc3c(cc2OC)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5336591
230,COC(=O)c1cc2c(cc1C)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3644882
231,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8459016
232,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3cc(O)nc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6166097
233,COc1cc2c(cc1Cc1ccc(C)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5943264
234,COc1cc2c(cc1F)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8132005
235,COc1cc2c(cc1O)C1Cc3cccc(CNC4CCCCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61748916
236,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(CC(F)(F)F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73151404
237,COc1cc2c(cc1O)C1Cc3cccc(Oc4ccc(CO)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7948477
238,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(O)nc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6189227
239,COc1cc2c(cc1OC)C1Cc3cccc(CCNC(=O)OC(C)(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44815806
240,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc(COC5CCCC5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63599265
241,COc1cc2c(cc1OC)CCN(CCOc1ccc(OC)c(S(C)(=O)=O)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.5896668
242,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(CNC(C)=O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4591497
243,COc1ccc(Cc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1OC,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71327806
244,COc1ccc(OCCCC(=O)c2ccc(F)cc2)cc1N1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.31717157
245,COc1ccc(OCCCCC2CCc3ccccc3C2)cc1S(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.2978416
246,COc1ccc(OCCCCNC(=O)c2ccccc2OC)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.04987892
247,COc1ccc(OCCCS(=O)(=O)c2ccc(F)cc2)cc1[SH](C)(=O)NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07378352
248,COc1ccc(OCCF)cc1N1CCC(Cc2ccc3c(c2)N(S(C)(=O)=O)C(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.35124302
249,COc1ccc(OCCN2CCC(S(=O)(=O)c3cccc(Cl)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.720823
250,COc1ccc(OCCN2CCN(c3ccc(F)cc3)C(=O)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.37893543
251,COc1ccc(OCCN2CCN(c3ccccc3OC(C)C)C2=O)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.31315362
252,COc1ccc(OCCN=S(C)(=O)O)cc1NCC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.25150844
253,COc1ccc(OCCNC(=O)CCc2ccccc2)cc1CN1CCC(S(=O)(=O)O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.14879365
254,COc1ccc(OCCNC(=O)c2ccc(Cl)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.020292113
255,COc1ccc(OCCNS(=O)(=O)c2ccccc2)cc1CNCC1CCCNC1,[*]CCOc1ccc(O[*])c([*])c1,0.10613825
256,COc1cccc2c1CN1CCc3cc(O)c(OC(C)Nc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54467875
257,COc1ccccc1-c1cc(C(=O)NCCN2CCN(Cl)CC2)ccc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3216524
258,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(OC)CC2)cc1OS(C)(=O)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35907838
259,COc1ccccc1N1CCN(CCN2CCC(Cc3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8585504
260,COc1ccccc1N1CCN(CCN2CCC(Cc3cccnc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76770395
261,CSOc1ccc(OCCNC(=O)COc2ccc(CCF)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.033071153
262,CSc1ccc(CC2CCCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.38903683
263,Cc1cc(C(=O)NCCN2CCN([N+](=O)[O-])CC2)ccc1S(C)(=O)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.140118
264,Cc1cc(OCCC(C)c2ccc(F)cc2)ccc1ON1CCC(S(N)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2990775
265,Cc1cc(OCCN2CCC(c3ccc(OC4CCC4)c(CCC(=O)O)c3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.48670843
266,Cc1cc(OCCNC(=O)COc2cccc(Cl)c2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.006886227
267,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)CCN(C)C3)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13327278
268,Cc1cc(OCCNC(=O)c2cccc(Cl)c2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.015739316
269,Cc1cc(OCCOC(=O)COc2cccc(C(F)(F)F)c2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.021701599
270,Cc1cc2c(cc1CO)CCN1Cc3c(Cc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60568815
271,Cc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)Oc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64522487
272,Cc1cn(-c2ccccc2N2CCN(CCN3CCC(C)CC3)CC2)c(O)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.61902267
273,N#Cc1ccccc1N1CCN(CCN2CCC(c3ncc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8596876
274,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)NSc1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49093476
275,O=C(NCc1cccc(CN2CCN(CCC[N+](=O)[O-])CC2)c1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46918607
276,O=C(O)C1c2ccccc2C(=O)N1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6534509
277,O=C(O)NCCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34899002
278,O=C1CCCCN1CCCN1CCN(Cc2cccc(-c3cccc4ccc(=O)oc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.40617132
279,O=C1NCC(CCCN2CCN(Cc3cccc(Cl)c3)CC2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6029442
280,O=S1(c2cccc(CN3CCN(CCCCl)CC3)c2)=Nc2ccccc2C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6998146
281,Oc1cc2c(cc1-c1ccc3ccccc3c1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6844393
282,Oc1ccc2cc(-c3cccc(CN4CCN(CCCF)CC4)c3)ccc2n1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7253768
283,Oc1nc2ccccc2cc1C1CCN(CCN2CCN(c3ccccc3OC(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78061354
284,CC(=O)N(Cc1cccc(CN2CCN(CCCCl)CC2)c1)C1CCCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.608054
285,CC(C)Oc1ccccc1N1CCN(CCN2CCC(Cc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.788214
286,CCCN1CCN(c2cc(OCCF)ccc2OOC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7344222
287,CCCOc1ccc(OCN2CCN(C[SH]=O)CC2CC)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29767406
288,CCCOc1ccc(OCn2cccc2C=O)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12483709
289,CCCOc1ccc(ON2CCN(c3ccc(Cl)cc3)CC2)c(NS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24374384
290,CCCOc1ccc(OOC)c(CNCC(=O)c2ccccn2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04246266
291,CCCOc1ccc(OOS(C)(=O)=O)c(CCCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11387225
292,CCCOc1ccc(OOS(C)(=O)=O)c(NCC2CCc3cc(OC)c(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3931127
293,CCCOc1ccc(OS(C)(=O)=O)c(-c2ccc(OCC(C)=O)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03479372
294,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3ccc(SCC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24082385
295,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(Cc3ccc(OC4CCCC4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17634737
296,CCCOc1ccc(OS(C)(=O)=O)c(NCc2cccs2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07137631
297,CCCOc1ccc(OS(N)(=O)=O)c(-c2ccc(OCC(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07094725
298,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(c3cccc4ccc(F)cc34)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36836106
299,CCCOc1ccc(OS(N)(=O)=O)c(NCCc2ccc(CC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06998251
300,CCCOc1ccc(OSN(C)C)c(NC(=O)COc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07249826
301,CCOC=Cc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6802693
302,CCOc1ccccc1N1CCN(CCN2CCC(Br)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87243
303,CCOc1ccccc1N1CCN(CCN2CCC(n3ccc(-c4ccccc4O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7375593
304,CCOc1ccccc1OCCOc1ccc(OCN2CCN(C)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3455692
305,CCSc1ccc(C2(O)CC3CCC(C2)N3c2cc(OCCNS(C)(=O)=O)ccc2OC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.116120964
306,CCc1cc2c(cc1N)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7742016
307,CNC(=O)CCOc1ccc(OC)c(N2C(=O)CCc3ccc(OCC4CCCC4)cc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.090282395
308,COC1CCN(CCN2CCN(c3ccccc3-c3nccc4cc(O)ccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71925384
309,COC1CCN(CCN2CCN(c3ccccc3-c3ncccc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7527648
310,COC1CCN(CCN2CCN(c3ccccc3CC3CCc4ccc(F)cc4O3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.62672544
311,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3ccc4ccnn4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6369132
312,COC1CCN(CCN2CCN(c3ccccc3OC(=O)C3CCc4ccc(cc4)C3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7075338
313,COCCCN1CCN(Cc2cccc(C=Cc3cccc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5197001
314,COCCOc1ccc(OC)c(CNC(=O)c2ccc(C(F)(F)F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.021488534
315,COCCOc1ccc(Oc2cccc(NC(C)=O)c2)c(CN2CC(C)Cc3ccccc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06459555
316,COOc1ccc(OCCC=Cc2ccc(C(F)(F)F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.1258794
317,COc1cc(C(=O)NCCOc2ccc(OC)c(N3CCNC3=O)c2)ccc1F,[*]CCOc1ccc(O[*])c([*])c1,0.105960906
318,COc1cc2c(cc1-c1cccc(C#N)c1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7073376
319,COc1cc2c(cc1-c1ccccc1)C1Cc3cccc(N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7658398
320,COc1cc2c(cc1-c1sccc1C)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7080169
321,COc1cc2c(cc1C=O)C1Cc3cccc(-c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7212783
322,COc1cc2c(cc1O)CCN1Cc3c(cccc3N3CCCC3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5527725
323,COc1cc2c(cc1OC)C1Cc3cccc(NC(=O)OCc4ccc(F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.27645168
324,COc1cc2c(cc1OCc1ccccn1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6769899
325,COc1ccc(COc2cc3c(cc2OC)CCN2Cc4c(cccc4-c4ccc(OC)cc4CO)CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.564724
326,COc1ccc(OCCCN=S(C)(=O)O)cc1-c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.08340537
327,COc1ccc(OCCCNC(=O)Cc2ccccc2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.02032504
328,COc1ccc(OCCCS(=O)(=O)c2ccc(C(C)C)cc2)cc1N1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.25406414
329,COc1ccc(OCCF)cc1NC(=O)c1sc2ccccc2c1C1CCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.06658611
330,COc1ccc(OCCN2CCC(c3cccc(NC(C)=O)c3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.55747193
331,COc1ccc(OCCN2CCN(c3ccccc3F)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5870512
332,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(c2ccc(OCC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18892325
333,COc1ccc(OCCNC(=O)c2ccc(C(C)=O)s2)cc1N1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31653282
334,COc1ccc(OCCS(C)(=O)=O)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.06731502
335,COc1ccc2ccc(CC3CCN(CCOc4ccc(OC)c(SC)c4)CC3)nc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.54662
336,COc1cccc2c1CC(NCCOc1ccc(OSC)c(C)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.44915628
337,COc1cccc2c1CN1CCc3cc(C(=O)c4cccc(C)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50226545
338,COc1ccccc1N1CCCN(COc2ccc(OCCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.58779436
339,COc1ccccc1N1CCN(CCN2CCC(Oc3ccc4c(c3)NCC(O)=N4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79363215
340,COc1ccccc1N1CCN(CCN2CCC(c3cc(C)on3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7879852
341,COc1ccccc1N1CCN(CCN2CCC(n3cc(-c4cccnc4)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8535408
342,CSOc1ccc(OCCNCc2ccc(F)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.14306352
343,Cc1cc(OCCCC2CCc3ccc(CC(F)(F)F)cc3O2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3433168
344,Cc1cc(OCCN2CC=C(c3ccccc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.40764976
345,Cc1cc(OCCNC(=O)COc2ccc(C=O)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.023218198
346,Cc1cc(OCCNC(=O)Cc2ccccc2)ccc1ON1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.022122236
347,Cc1ccc(OCC(=O)NCCOc2ccc(ONS(C)(=O)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.012108429
348,Cc1cccc(CN2CCN(CCCN3c4ccccc4CC3(C)C)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6603316
349,N#Cc1cccc(Cc2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7355084
350,NC(=O)Nc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34224704
351,O=C(NCc1cccc(CN2CCN(CCCCl)CC2)c1)c1cccc2c1Cc1ccccc1-2,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55937546
352,O=C(NCc1ccccc1)Oc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39482987
353,O=C1OCCN1c1cccc(CCCN2CCN(Cc3cccc(Cl)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6808024
354,O=C1c2ccccc2CCCN1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7517886
355,OC1CCN(CCN2CCN(c3ccccc3-c3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78165025
356,Oc1cc2c(cc1C1CCCCC1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56684786
357,CC1CCN(CCN2CCN(c3ccccc3-c3ccc4c(c3)NC(=O)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7562612
358,CC1CCN(CCN2CCN(c3ccccc3C(O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6627073
359,CCCCN1CCN(Cc2cccc(-c3cccc(OC)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5336708
360,CCCOc1ccc(OCn2ccc(C)c2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0864307
361,CCCOc1ccc(ON=S(C)(=O)O)c(C(C)Cc2ccc3c(c2)C(=O)CCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13193913
362,CCCOc1ccc(ON=S(C)(=O)O)c(CC2CC(=O)c3ccc(CC4CC4)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17717381
363,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(Cc3nc(F)cc4ccccc34)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1986553
364,CCCOc1ccc(OOC)c(N2CCN(c3cccc(C)c3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2902447
365,CCCOc1ccc(OS(C)(=O)=O)c(C(=O)COc2ccc3c(c2)N(CC)C(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26584858
366,CCCOc1ccc(OS(C)(=O)=O)c(OC2CCC(NCc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18453842
367,CCCOc1ccc(OSC)c(NC2CCC(Oc3ccc(CC4CCCC4)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15481122
368,CCNCc1cccc2c1CN1CCc3cc(C)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5425083
369,CCOc1ccccc1N1CCN(CCN2CCC(c3cc(O)nc4cc(O)ccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6931504
370,CCc1cccc2c1CN1CCc3cc(OC)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7255445
371,CN(Cc1ccccc1)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7165479
372,CNC(=O)Oc1ccc(OCCCN2CCN(c3cc(F)ccc3F)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.72671306
373,CNCCOc1ccc(OCl)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07428489
374,COC(=O)c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1cccc(Cl)c1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29981464
375,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(SC)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.767916
376,COC1CCN(CCN2CCN(c3ccccc3Oc3cccc4c3ccc3ccc(O)nc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73283404
377,COCc1cc2c(cc1C)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70008856
378,CON=COc1ccc(OCCCCCc2ccco2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.073672235
379,COc1cc(OCCCF)ccc1OCN1CCN(Cc2cccc(SC)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.54110783
380,COc1cc2c(cc1CO)CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6884822
381,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccc(C(C)=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5663037
382,COc1cc2c(cc1O)C1Cc3cccc(OCc4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.642543
383,COc1cc2c(cc1O)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.83478135
384,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1cccc(OC)c1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30330533
385,COc1ccc(Cl)c(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7451259
386,COc1ccc(OCCC(=O)COc2ccc(C(F)(F)F)cc2)cc1C(=O)N1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.04571304
387,COc1ccc(OCCCC(=O)Cc2ccc(F)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.058714405
388,COc1ccc(OCCCN2CCN(C(C)=O)CC2)cc1-c1ccc(C(F)(F)F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.31626084
389,COc1ccc(OCCF)cc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.08288016
390,COc1ccc(OCCN)cc1NCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.13100971
391,COc1ccc(OCCN2CCC(O)(c3ccc(SC=O)c(F)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.46192363
392,COc1ccc(OCCN2CCC(Oc3ccc4c(c3)NC(=O)CC4)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.6777253
393,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCC(c2ccc(Cl)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.22174264
394,COc1ccc(OCCNC(=O)Cc2cccc(NC(C)=O)c2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.010002258
395,COc1ccc(OCCNC(=O)c2ccc3c(c2)NC(=O)CC3)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.10045013
396,COc1ccc(OCCNS(C)(=O)=O)cc1CNCC1CCc2ccc(S(C)(=O)=O)cc2CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25561538
397,COc1cccc(CCC2CCCN(CCOc3ccc(OSC)c(C)c3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5162341
398,COc1cccc(CN2CCN(CCCNC(=O)c3cccc4c3-c3ccccc3C4=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.35564634
399,COc1cccc(CN2CCN(CCCNS(=O)(=O)c3cc4ccccc4s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4927564
400,COc1cccc(Cc2cccc3c2CN2CCc4cc(OCc5ccccc5)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6723137
401,COc1cccc2c1CN1CCc3cc(O)c(OCc4ccco4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62561506
402,COc1ccccc1N1CCN(CCN2CCC(CNCc3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8544029
403,COc1ccccc1N1CCN(CCN2CCC(n3cc(C)c(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7575044
404,CSC(=O)Oc1ccc(OCCN2CCC(Cc3ccc4ccccc4n3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.44569302
405,CSOc1ccc(OCCN2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.49815518
406,CSc1ccc(CC2CCN(CCc3cc(OCCNC(C)=O)ccc3ONS(C)(=O)=O)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.35278654
407,Cc1cc(OCCC(C)C)ccc1ON1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.34008515
408,Cc1cc(OCCF)ccc1OC(=O)NCC1CCN(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3702026
409,Cc1cc(OCCF)ccc1OCNCc1cccs1,[*]CCOc1ccc(O[*])c([*])c1,0.091699205
410,Cc1cc(OCCF)ccc1ONC(=O)Cc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.06995898
411,Cc1cc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.56676435
412,Cc1cc(OCCN2CCCC(Cc3ccc(F)cc3)C2)ccc1OS(=O)(=O)C1CCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.38903242
413,Cc1cc(OCCN2CCNC(CCc3ccc(F)cc3)C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.3922942
414,Cc1cc(OCCNCc2ccc(F)cc2)ccc1OOS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.19604361
415,Cc1cc(OCCNS(=O)(=O)c2ccc(F)c(F)c2)ccc1ON1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21156298
416,Cc1cc(OCCOS(=O)(=O)C(F)(F)F)ccc1ONc1ccc(CCC(F)(F)F)nn1,[*]CCOc1ccc(O[*])c([*])c1,0.08744853
417,Cc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1cccc(C)c1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.25175372
418,Cc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1cccc2ccc(=O)ccc12,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2641448
419,Cc1cccc2c1CN1CCc3cc(NC(=O)C4CC4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.31381628
420,Cc1ccccc1N1CCN(CCN2CCC(c3ccc(O)c(O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.57014596
421,FC(F)(F)c1cccc(CN2CCN(CCCC3CCCCC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6765245
422,FCCCN1CCN(Cc2cccc(-c3ccco3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59837496
423,Nc1ccccc1N1CCN(CCN2CCC(c3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8019745
424,O=C(Cc1cccc(CN2CCN(CCCF)CC2)c1)NC1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.34881914
425,Oc1ccc(-c2ccc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)nc2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75003475
426,Oc1cccc2c1CN1CCc3cc(-c4cc(F)cc(F)c4)c(Br)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7072974
427,Oc1cccc2c1CN1CCc3cc(-c4ccc5[nH]ccc5c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.590891
428,C=S(O)(O)=Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6627792
429,CC(=O)NOc1ccc(OCCNC(=O)COc2ccc3c(c2)N(C)C(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.10914958
430,CC(=O)c1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6979042
431,CC1CCN(CCN2CCN(c3ccccc3-c3cn(-c4ccccc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70127505
432,CCCOc1ccc(OC(=O)C2CCNCC2)c(NS(=O)(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.103927836
433,CCCOc1ccc(OCCN2CCN(c3ccc(Cl)cc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8179998
434,CCCOc1ccc(OCCc2ccccc2)c(C(=O)OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.046418987
435,CCCOc1ccc(ON)c(CN2CCN(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.74629384
436,CCCOc1ccc(ON2CCCN(c3cccc(F)c3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35057777
437,CCCOc1ccc(ON2CCN(c3ccccc3OC(C)C)CC2)c(NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3116799
438,CCCOc1ccc(OOC)c(-c2ccccc2OCCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17006284
439,CCCOc1ccc(OS(C)(=O)=O)c(CCCCCC2CCCc3cc(ccc3OC3CCNC3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31125605
440,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)COc2ccccc2NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.006690462
441,CCCOc1ccc(OSC)c(CCOc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12466367
442,CCOc1ccccc1-c1cc(C(=O)NCCN2CCN(C)CC2)ccc1OS(C)(=O)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26547363
443,CCOc1ccccc1C1CCN(Cc2cc(OCCSC)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.65009683
444,CCc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccccc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72575665
445,CN1CCN(CCNC(=O)c2ccc(F)c(-c3cccc([N+](=O)[O-])c3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.19535133
446,CNCCOc1ccc(ONS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.066339314
447,COC(=O)Cc1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48483464
448,COC(=O)c1cc2c(cc1OC)CCN1Cc3c(Cc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44644266
449,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(Oc4ccc5c(c4)NC(=O)CC5)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7357946
450,COC1CCN(CCN2CCN(c3ccccc3-c3cccc(N4CCOC4=O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7459243
451,COC1CCN(CCN2CCN(c3ccccc3-n3cc4c(F)cccc4c3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6387947
452,COC1CCN(CCN2CCN(c3ccccc3Nc3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.506935
453,COCc1cc2c(cc1OC)CCN1Cc3c(cccc3Oc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6238628
454,COOc1ccc(OCCCCCc2cccs2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.086638935
455,COOc1ccc(OCCNCCc2ccc3c(c2)CCCC(=O)N3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.16963573
456,COc1cc2c(cc1Cl)CCN1Cc3c(cccc3-c3cccc(C#N)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5903
457,COc1cc2c(cc1Cn1cccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7848304
458,COc1cc2c(cc1N)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7806291
459,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc([N+](=O)O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.695302
460,COc1cc2c(cc1O)C1Cc3cccc(CC#N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.788686
461,COc1cc2c(cc1O)C1Cc3cccc(NC(=O)NCc4cccc(C(F)(F)F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38798606
462,COc1cc2c(cc1O)C1Cc3cccc(Nc4ccccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58557004
463,COc1cc2c(cc1O)CCN1Cc3c(CCCc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7914192
464,COc1cc2c(cc1OC)C1Cc3cccc(COc4cccc(C(F)(F)F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75392234
465,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc([SH](C)O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6635042
466,COc1ccc(Cc2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70950025
467,COc1ccc(NC2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75974417
468,COc1ccc(OCCCCc2ccccc2)cc1C(=O)NCC1(C)CCSC1,[*]CCOc1ccc(O[*])c([*])c1,0.10252927
469,COc1ccc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1S(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.64304477
470,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC(C)C4)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.51122916
471,COc1ccc(OCCNC(=O)Cc2ccc3c(c2)CCC(=O)N3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09245499
472,COc1ccc(OCCNS(C)(=O)=O)cc1NCCCC1CC2=CC=CC=CC21,[*]CCOc1ccc(O[*])c([*])c1,0.17578402
473,COc1ccc(OCCS(C)(=O)=O)cc1C1CCC(Sc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1821227
474,COc1cccc(C(=O)NCC2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8163348
475,COc1cccc(C(O)c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74775743
476,COc1cccc(CN2CCN(CCCC3CCCc4c(OC)cccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66767675
477,COc1cccc2cc(CCCN3CCN(Cc4cccc(Cl)c4)CC3)oc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64828426
478,COc1ccccc1-c1cc2c(cc1OC)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70197076
479,COc1ccccc1N1CCN(CCN2CCC(c3cccnc3-c3ccco3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7888486
480,COc1ccccc1N1CCN(COc2ccc(OCCNCc3ccccc3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.692415
481,Cc1cc(OCCCN2C(=O)Cc3ccccc3C2=O)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.28236142
482,Cc1cc(OCCF)ccc1ONS(=O)(=O)c1cccs1,[*]CCOc1ccc(O[*])c([*])c1,0.069219775
483,Cc1cc(OCCN(C)C)ccc1ON=CN1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.36750433
484,Cc1cc(OCCN2C(=O)CC3(CCCCC3)CC2=O)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.11444438
485,Cc1cc(OCCN2CCCC(O)(Cc3ccc(F)cc3)C2)ccc1OF,[*]CCOc1ccc(O[*])c([*])c1,0.3360963
486,Cc1cc(OCCN=S(C)(=O)O)ccc1OOC1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.09432512
487,Cc1cc(OCCOC(=O)COc2ccc3c(c2)NCCC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.073266916
488,ClCCCN1CCN(Cc2cccc(C3=COc4ccccc4N3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.616725
489,FCCOc1ccccc1N1CCN(CCN2CCC(c3ccc(F)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.868274
490,N#Cc1ccccc1N1CCN(CCN2CCC(n3nc(-c4ccccc4)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74842805
491,O=C1NCCN1c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49978113
492,O=[N+](O)Cc1ccc(Cc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6142383
493,O=[N+]([O-])CCCN1CCN(Cc2cccc(N3c4ccccc4CS3(=O)=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5397114
494,OC1CCN(CCN2CCN(c3ccccc3-n3ccc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69723547
495,OC1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7813201
496,Oc1cc2c(cc1Cl)CCN1Cc3c(cccc3-c3ccc4ccccc4c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62695205
497,Oc1cc2c(cc1O)C1Cc3cccc(C4CCCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6393541
498,CC(C)(C)OC(=O)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51591295
499,CCC(=O)Oc1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5056428
500,CCCOc1ccc(OC)c(CN2CCN(CC(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22805758
501,CCCOc1ccc(OF)c(N2CCC(OC(C)=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15694964
502,CCCOc1ccc(ON)c(N2CCCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31017265
503,CCCOc1ccc(ON2CCC(c3cccc(NC(C)=O)c3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23507044
504,CCCOc1ccc(ON2CCC(c3ccccc3)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.42096806
505,CCCOc1ccc(ON2CCN(c3ccccc3CCCF)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32520545
506,CCCOc1ccc(ON=S(C)(=O)O)c(CCNc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.075514354
507,CCCOc1ccc(OOC)c(N2CCC(S(=O)(=O)c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29322192
508,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26460528
509,CCCOc1ccc(OS(C)(=O)=O)c(CCSc2ccc(CCF)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.056671303
510,CCCOc1ccc(OS(N)(=O)=O)c(CCOc2ccc3c(c2)NC(CF)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.41918683
511,CCCOc1ccccc1-c1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5635946
512,CCOC1CCN(CCN2CCN(c3ccccc3Nc3ccccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.52005416
513,CCOCCCN1CCN(Cc2cccc(CN3C(=O)c4ccccc4S3(=O)=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5449436
514,CCOc1ccccc1N1CCN(CCN2CCC(c3cnn4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79528695
515,COC1CCN(CCN2CCN(c3ccccc3-c3cccn4nccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75434023
516,COC1CCN(CCN2CCN(c3ccccc3-c3nc(O)cc4ccc(O)cc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67877513
517,COCCCN1CCN(Cc2cccc(CNC(=O)c3cc4cc(OC)ccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4115619
518,COCCOc1ccc(ONCCCc2ccco2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06876881
519,CON1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(-c3cccs3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27183142
520,COOc1ccc(OCCNCc2ccccn2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.16257583
521,COc1cc(C(=O)NCCN2CCN(O)CC2)ccc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.22905232
522,COc1cc2c(cc1O)CCN1Cc3c(cccc3N3CCC(OC)C3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67527515
523,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCC3CCC3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71402144
524,COc1cc2c(cc1OC)C1Cc3cccc(-c4c(C)cccc4C#N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6908182
525,COc1cc2c(cc1OC)C1Cc3cccc(OC(F)(F)c4cccc(C(F)(F)F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.82300913
526,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7960309
527,COc1cc2c(cc1[N+](=O)OC)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7003559
528,COc1ccc(OCCCCn2ccc(C(F)(F)F)c2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.11539851
529,COc1ccc(OCCN2CCCC(Cc3ccc(F)cc3)C2)cc1[SH](N)(=O)C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.37870815
530,COc1ccc(OCCNS(=O)(=O)c2ccc(F)cc2)cc1N(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.07234587
531,COc1ccc(OCCNS(C)(=O)=O)cc1C1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.21231079
532,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(NC(C)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1699725
533,COc1ccc(OCCS(C)(=O)=O)cc1C1CC(c2ccc(F)cc2)CCN1CCF,[*]CCOc1ccc(O[*])c([*])c1,0.39247084
534,COc1ccc(OCCS(C)(=O)=O)cc1N1CCc2ccc(OCC3CCCCC3)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.30784056
535,COc1ccc(OCCS(N)(=O)=O)cc1N1C(=O)Cc2cc(CC3CCCCC3)ccc2C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.18963885
536,COc1ccc(OCC[SH](C)(N)=O)cc1NCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06413734
537,COc1cccc(CCOc2ccc(OCCCN3CCN(c4ccccc4OC)CC3)cc2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.83566236
538,COc1cccc(CN2CCN(CCCC(=O)C3CC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5406907
539,COc1cccc(N2CCN(CCNC(=O)c3ccc(C)c(OC)c3)CC2)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.63987833
540,COc1cccc2c1CN1CCc3cc(Cc4cccc(C(F)(F)F)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7496459
541,COc1cccc2c1CN1CCc3cc(OCc4ccc(N(C)C)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65572
542,COc1ccccc1CCCN1CCN(Cc2cccc(S(C)(=O)=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5242406
543,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc(O)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7977975
544,COc1ccccc1N1CCN(COc2ccc(OCCF)cc2C=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.76680195
545,CS(=O)(=O)Nc1cccc(-c2cccc(CN3CCN(CCCCl)CC3)c2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.47717106
546,Cc1cc(OCCCOc2cc(F)ccc2F)ccc1ON1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4382337
547,Cc1cc(OCCN2CCC(CCc3ccc4c(c3)NC(=O)CC4)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.574649
548,Cc1cc(OCCN2CCC(Cc3ccc4ccccc4c3)CC2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.59391737
549,Cc1cc(OCCN2CCC(NS(=O)(=O)c3cccc(C(C)C)c3)CC2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.664143
550,Cc1cc(OCCN2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)ccc1ON=S(=O)(O)O,[*]CCOc1ccc(O[*])c([*])c1,0.45967713
551,Cc1cc(OCCNC(=O)c2ccc(OC3CCNCC3)cc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.051465385
552,Cc1cc(OCCNCC2CCNC(=O)C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.10853336
553,Cc1cc(OCCNS(=O)(=O)c2ccccc2F)ccc1ON1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3076327
554,Cc1cc2c(cc1O)CCN1Cc3c(CCc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64815986
555,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(-c4ccc(O)nc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64274025
556,Clc1ccccc1N1CCN(CCN2CCC(Nc3ccc(-c4ccccc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7960651
557,O=C(Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)c1ccc(Cl)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.37619394
558,O=C1c2ccccc2CC1CCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6865303
559,O=S(=O)(O)Oc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6720344
560,O=S(=O)(c1cccc(Cl)c1)C1CCN(CCN2CCN(c3ccccc3OC(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8026061
561,O=[N+]([O-])c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52309597
562,O=[N+](c1ccccc1)c1cc2c(cc1Br)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64051247
563,Oc1cc2c(cc1C=NOCc1ccccc1Cl)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6442276
564,Oc1cc2c(cc1Oc1cccc(F)c1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.736049
565,Oc1ccc2c(c1)OC(CNCc1ccccc1N1CCN(CCN3CCC(Cl)CC3)CC1)CC2,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6374378
566,Oc1ccc2cc(OC3CCN(CCN4CCN(c5ccccc5OC(F)(F)F)CC4)CC3)ccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7461355
567,CC(C)C1CCN(CCN2CCN(c3ccccc3Oc3cccc4nc(O)ccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80101216
568,CC(C)c1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6335577
569,CC1CCN(CCN2CCN(c3ccccc3Nc3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4618196
570,CCCOc1ccc(F)cc1-c1cc(OCCN=S(C)(=O)O)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.10921838
571,CCCOc1ccc(OF)c(CCN2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.80400294
572,CCCOc1ccc(OF)c(CN2CCC(NC(=O)c3ccc(OC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26333195
573,CCCOc1ccc(ONC(=O)c2ccc(F)cc2)c(OC2CCN(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4607039
574,CCCOc1ccc(OOC)c(NC(=O)c2cc(Cl)ccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.033584494
575,CCOc1cccc(CN2CCN(CCCC3OCCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.52884954
576,CCOc1ccccc1N1CCCN(CCOc2ccc(OC)c(OS(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7934304
577,CCOc1ccccc1N1CCN(Oc2ccc(OCCCNC(C)=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.17411487
578,CCOc1ccccc1NCCCOc1ccc(OC)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10048629
579,COC(=O)NCc1cccc(-c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45858932
580,COC(=O)OCc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46517816
581,COC1CCN(CCN2CCN(c3ccccc3Cc3cc4nc(O)ccc4cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.734844
582,COCCCN1CCN(Cc2cccc(-c3cc(-c4cccs4)no3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.532529
583,COCCOc1ccc(OC)c(-c2cccc(OCC(F)(F)F)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12933579
584,COCCOc1ccc(OC)c(CN2CCCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.767924
585,COOc1ccc(OCCCN2CCN(c3cccc(F)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.7699153
586,COOc1ccc(OCCN2CCC(NS(=O)(=O)c3cc(Cl)ccc3F)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6293311
587,COc1c(C)cccc1-c1ccc(C(=O)NCCN2CCN(OC)CC2)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.22444977
588,COc1cc2c(cc1C)CCN1Cc3c(cccc3C(=O)OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42059517
589,COc1cc2c(cc1F)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7472027
590,COc1cc2c(cc1O)C1Cc3cccc(N4CCCC(OCc5ccccc5)CC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48001873
591,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccccn4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70011157
592,COc1ccc(-c2ccccc2N2CCN(CCN3CCC([N+](=O)[O-])CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5690158
593,COc1ccc(COc2cccc3c2CN2CCc4cc(-c5ccccc5)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6473128
594,COc1ccc(CS(=O)(=O)NOc2ccc(OCCF)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.04880505
595,COc1ccc(OCCCF)cc1N1CCN(C(=O)c2ccc(SC)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.075965285
596,COc1ccc(OCCF)cc1C(=O)Cc1ccc2c(c1)N(S(C)(=O)=O)CCC2,[*]CCOc1ccc(O[*])c([*])c1,0.17450933
597,COc1ccc(OCCN2CCCC(CCc3ccc4c(c3)NC(=O)CC4)C2)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.48037738
598,COc1ccc(OCCN2CCCCC2)cc1S(=O)(=O)c1cccc(Cl)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36942616
599,COc1ccc(OCCN2CCN(c3ccc(F)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.76358825
600,COc1ccc(OCCN=O)cc1N1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.30798882
601,COc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1N1CCN(c2ccccc2OC(C)C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.359178
602,COc1ccc(OCCNCc2cccc(S(C)(=O)=O)c2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.17052661
603,COc1ccc(OCC[SH](C)(=O)O)cc1CCOc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06579837
604,COc1cccc(CN2CCN(CCCN3C(=O)CCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7351786
605,COc1cccc2c1CN1CCc3cc(C)c(C(O)C4=NCCCC4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50060964
606,COc1ccccc1N1CCN(CCN2CCC(C(=O)Nc3cccc(F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7069067
607,CS(=O)(=O)CCOc1ccc(OF)c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22277045
608,CSOc1ccc(OCCNC(=O)COc2ccccc2F)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.024084475
609,CSc1cccc(C2CCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.66816413
610,Cc1cc(OCCCN2CCC(Cc3ccccc3)CC2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.6003479
611,Cc1cc(OCCCS(=O)(=O)c2ccccc2C)ccc1ON1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.32185712
612,Cc1cc(OCCF)ccc1OCN1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.477398
613,Cc1cc(OCCN2CCC(Cc3ccc(S(C)(=O)=O)cc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5017972
614,Cc1cc(OCCN2CCC(Oc3ccc4ccccc4c3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5972846
615,Cc1cc(OCCN2CCC(c3ccc(F)cc3)C2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.61217654
616,Cc1cc(OCCN2CCC(c3ccccc3C(=O)F)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.54146373
617,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(Cc2ccc(OC3CCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.14309166
618,Cc1ccccc1N1CCN(CCN2CCC(Cc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66029847
619,ClC1CCN(CCN2CCN(c3ccccc3-c3ccc4cccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7736304
620,FC(F)(F)Oc1ccccc1N1CCN(CCN2CCC(n3ccc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78634185
621,Fc1ccc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83143693
622,N#Cc1cccc(NCCc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49656096
623,N=S(O)(O)=Cc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6091818
624,O=C(NCc1cccc(CN2CCN(CCCOCCF)CC2)c1)c1ccc(-c2ccccn2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.42780006
625,O=C(O)CCNc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3231449
626,O=C(c1cccs1)C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79117036
627,O=S(=O)(NCCCN1CCN(Cc2cccc(F)c2)CC1)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5003742
628,O=[N+]([O-])c1ccccc1N1CCN(CCN2CCC(c3cnc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.51621926
629,O=c1ccc2cccc(CCCN3CCN(Cc4cccc(Cl)c4)CC3)c2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5583997
630,OCc1cccc2c1CN1CCc3cc(-c4cccc(F)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7201515
631,Oc1cc2c(cc1C=NOCc1cccc(Cl)c1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59752995
632,Oc1ccc2c(c1)OC(CNc1ccccc1N1CCN(CCN3CCC(OCCF)CC3)CC1)CO2,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4339347
633,C=S(O)(O)=Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7279873
634,CC1(CCCCN2CCN(Cc3cccc(Cl)c3)CC2)Cc2ccccc2NC1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5874567
635,CCCCN1CCN(c2cc(OCCC)ccc2OOC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7152606
636,CCCCc1cccc(CNc2cc(OCCC)ccc2OS(C)(=O)=O)c1OC1CCN1,[*]CCOc1ccc(O[*])c([*])c1,0.19285111
637,CCCOCCOc1ccc(OC)c(S(N)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08460178
638,CCCOc1ccc(OCN=S(C)(=O)O)c(N2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22589391
639,CCCOc1ccc(OCl)c(N2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37857804
640,CCCOc1ccc(OF)c(CN2CCC(c3ccc(OC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5804861
641,CCCOc1ccc(ONS(=O)(=O)c2ccc(C(C)C)cc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05678548
642,CCCOc1ccc(ONS(C)(=O)=O)c(N2C(=O)CCc3ccc(OCC4CCC4)cc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21003763
643,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCC(Cc3ccccc3F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27230188
644,CCCc1ccccc1S(C)(=O)=CN1CC[SH]1(=O)Cc1cc(OCCF)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.2094931
645,CCc1cc2c(cc1O)C1Cc3cccc(F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71342283
646,CCc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68308735
647,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc(-c4cccnc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85972625
648,COCCOc1ccc(OC)c(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39615574
649,COCCOc1ccc(ON2CCC(Oc3cccc4c3NC(=O)CC4)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33001214
650,COCc1cccc2c1CN1CCc3cc(Oc4cccc(OC)c4)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7996421
651,COc1cc2c(cc1C(C)=O)CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41421807
652,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(C)c(C=O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56112885
653,COc1cc2c(cc1O)C1Cc3cccc(COCc4cccc([N+](=O)[O-])c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55849993
654,COc1cc2c(cc1O)CCN1Cc3c(cccc3C3CC3CO)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7679998
655,COc1cc2c(cc1O)CCN1Cc3c(cccc3CN(C)Cc3ccc(C#N)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7658511
656,COc1cc2c(cc1OC)C1Cc3cccc(C#Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8403061
657,COc1cc2c(cc1OCc1ccccn1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.709276
658,COc1ccc(C(=O)NCCN2CCN(F)CC2)cc1-c1ccccc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3241561
659,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccc(C)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.13577034
660,COc1ccc(C(=O)c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54179883
661,COc1ccc(Cc2cc3c(cc2Cl)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6584441
662,COc1ccc(F)c(C(=O)c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7084018
663,COc1ccc(OCCC(O)CCc2ccc3c(c2)NC(=O)CC3)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1741349
664,COc1ccc(OCCC2(F)CCCN(C(=O)c3ccc(F)cc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.10392316
665,COc1ccc(OCCCC(C)=O)cc1CN1CCC(C(=O)c2ccc(SC)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.41435337
666,COc1ccc(OCCF)cc1NS(=O)(=O)c1ccc(C(C)NC(C)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.025443053
667,COc1ccc(OCCF)cc1S(=O)(=O)Nc1cc(Cl)ccc1C(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.08048636
668,COc1ccc(OCCN2CCC(Cc3cccs3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5411185
669,COc1ccc(OCCN2CCCC(COc3ccc(F)cc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.47067004
670,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCCC(CCc2ccc3c(c2)CCC(=O)N3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.22004229
671,COc1ccc(OCCOS(C)(=O)=O)cc1CCCc1ccc2c(c1)CCC(=O)N2,[*]CCOc1ccc(O[*])c([*])c1,0.1919612
672,COc1ccc(OCCSC)cc1CNC(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.023548398
673,COc1ccc(OCCSC)cc1N1CCC(c2ccccc2OC2CC2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.35214767
674,COc1cccc(CN2CCN(CCCCNC(=O)c3cccc4c3Cc3ccccc3-4)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61487705
675,COc1cccc(CN2CCN(CCCCNS(=O)(=O)c3ccco3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5290287
676,COc1cccc(CN2CCN(CCCS(=O)(=O)Nc3cccc(Cl)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.45090115
677,COc1cccc(CN2CCN(CCCc3cccc(C=O)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.52921647
678,COc1cccc(Cc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63567084
679,COc1cccc2c1CN1CCc3cc(C#N)c(F)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.790315
680,COc1ccccc1N1CCN(CCN2CCC(Cn3c(O)cc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82062143
681,COc1ccccc1N1CCN(CCN2CCC(N(C(=O)c3ccccc3)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80034316
682,COc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccccc4)ccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8550137
683,COc1ccccc1N1CCN(CCN2CCC(c3cc4ccccc4o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8562242
684,COc1ccccc1N1CCN(CCN2CCC(n3ccc4ccc(F)cc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80583537
685,CSc1cccc(CN2CCN(CCCOc3ccc(OS(C)(=O)=O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.52932906
686,Cc1cc(OCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3401455
687,Cc1cc(OCCNC(=O)c2ccc(F)cc2)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.021774892
688,Cc1cc(OCCNS(=O)(=O)Cc2ccc(F)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08411094
689,Cc1cc(OCCNS(C)(=O)=O)ccc1OCNCc1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.09502078
690,Cc1cc(OCCc2ccc(F)cc2)ccc1OCN1CCN(c2cccc(C(F)(F)F)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.48010245
691,Cc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc4ccc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5996566
692,Cc1cn(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)nn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70860755
693,ClCCCN1CCN(Cc2cccc(-n3cccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67382234
694,O=C(Cc1ccccc1)Oc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4915854
695,O=C(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)OCc1ccccc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4303501
696,O=C(OCCCCN1CCN(Cc2cccc(Cl)c2)CC1)C1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49413788
697,O=C(c1ccc(F)cc1)c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48759815
698,O=C(c1ccccc1)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75079894
699,O=C1NCCc2ccc(-c3cccc(CN4CCN(CCCCl)CC4)c3)cc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67624766
700,O=[N+]([O-])c1cccc(CCc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5531816
701,Oc1cc2c(cc1-c1cccc3ncccc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65723556
702,CC(=O)OC(C)c1cccc(C2CCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.53511757
703,CC(=O)S(=O)OOc1ccc(OCCN2CCC(Cc3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.46473435
704,CC(=O)c1ccc(OC2CCN(Oc3ccc(OCCO[SH](C)(C)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.12930568
705,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3cccc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7435847
706,CCCOc1ccc(OC)c(N2CCC(c3ccccc3F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33123022
707,CCCOc1ccc(OCN2CCN(c3cccc(F)c3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6104763
708,CCCOc1ccc(OCS(N)(=O)=O)c(NC(=O)Cc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06313863
709,CCCOc1ccc(ON2C=CN(C(C)=O)CC2)c(CF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1151106
710,CCCOc1ccc(ON2CCN(Cc3cc4ccccc4o3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5789725
711,CCCOc1ccc(OS(=O)(=O)O)c(N2CCC(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27828246
712,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3ccccc3CCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29182753
713,CCCOc1ccc(OS(C)(=O)=O)c(NC(C)COc2ccc3c(c2)NCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24470697
714,CCCOc1ccc(OS(C)(=O)=O)c(NC2CCC(OCc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20032342
715,CCCOc1ccc(OS(N)(=O)=O)c(N2CCCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23741232
716,CCCOc1ccc(OSC)c(NC(=O)COc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.008351513
717,CCCc1ccc(-c2cc3c(cc2OC)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79251206
718,CCNC(=O)NCc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45230514
719,CCOC1CCN(CCN2CCN(c3ccccc3-n3cc4ccccc4c3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7093764
720,CCOC1CCc2cc(CC(=O)NCCOc3ccc(ON=S(C)(=O)O)c(C)c3)ccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.09591499
721,CCOc1cccc(CN2CCN(CCCCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6066618
722,CCSc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6643246
723,CN(C)[N+](=O)c1cccc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5985624
724,COC(=O)NCc1ccc(Cc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35790762
725,COC1CCN(CCN2CCN(c3ccccc3C(O)c3cnc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68572754
726,COC1CCN(CCN2CCN(c3ccccc3NCC3CCc4ccc(O)cc4C3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5085853
727,COCCCN1CCN(Cc2cccc(-c3cccc4c3NC(=O)CC4(C)C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.45494312
728,COc1cc2c(cc1C1CCC1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73385245
729,COc1cc2c(cc1O)C1Cc3cccc(C=Cc4ccccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8001057
730,COc1cc2c(cc1O)C1Cc3cccc(CCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.829356
731,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)OCc3ccc(C=O)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5274958
732,COc1ccc(OC)c(-c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7826565
733,COc1ccc(OCCCSc2ccccc2C(C)C)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6148718
734,COc1ccc(OCCN(CCO)CC2CCc3cc(F)ccc3C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.45702446
735,COc1ccc(OCCN2CCC(CCc3ccc(F)cc3)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.59409416
736,COc1ccc(OCCN2CCC(Oc3ccccc3C)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.60194546
737,COc1ccc(OCCN2CCC(c3ccccc3)CC2)cc1N=S(C)O,[*]CCOc1ccc(O[*])c([*])c1,0.69549537
738,COc1ccc(OCCN=S(C)(=O)O)cc1NCCC1CC(=O)Cc2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.20016459
739,COc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1C(=O)N1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.020310264
740,COc1ccc(OCCNC(=O)Cc2cccs2)cc1CNC1CCNC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.01840348
741,COc1ccc(OCCNCc2ccc(C(C)=O)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09859387
742,COc1ccc(OCCS(C)(=O)=O)cc1C1CCC(Oc2ccc3c(c2)NC(=O)CC3)CC(=O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.32438114
743,COc1ccc(OCCS(C)(=O)=O)cc1C1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.32512876
744,COc1ccc(OCCS(C)(=O)=O)cc1CC(C)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06696173
745,COc1cccc(CN2CCN(CCCc3ccc(Cl)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67809737
746,COc1cccc2c1CN1CCc3cc(C(=O)Nc4ccccc4C)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.30548102
747,COc1ccccc1N1CCN(CCN2CCC(C(=O)N(C)Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77887094
748,COc1ccccc1N1CCN(CCNC(=O)c2ccc(Br)c(C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.9267281
749,Cc1cc(OCCC=CCOc2ccccc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07291029
750,Cc1cc(OCCCCCc2ccc3c(c2)CC(=O)CC3)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.19096771
751,Cc1cc(OCCCc2cccs2)ccc1OCN=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.065336615
752,Cc1cc(OCCF)ccc1OCS(=O)(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.07867068
753,Cc1cc(OCCN2CCC(Cc3ccccc3)CC2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.54846025
754,Cc1cc(OCCN2CCC(Oc3ccc(CC4CCCCCC4)cc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.4183553
755,Cc1cc(OCCNC(=O)Cc2ccc3ccccc3c2)ccc1OCN1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.14677939
756,Cc1cc(OCCNCC2CCc3ccccc3CCN2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.22537296
757,Cc1cc(OCCNCCc2ccc3c(c2)NC(=O)C3)ccc1OOC(=O)NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.158097
758,Cc1cc(OCCNCCc2ccc3c(c2)NC(=O)CC3)ccc1OS(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.18393168
759,ClC1CCN(CCN2CCN(c3ccccc3-c3cncc(-c4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6992396
760,Clc1cccc(CN2CCN(CCCC3C=C(c4ccccc4)CC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65814006
761,Clc1ccccc1N1CCN(CCN2CCC(c3ncc(-c4ccccc4)o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75910753
762,O=C(NCCCCN1CCN(Cc2cccc(F)c2)CC1)c1cccc(-c2ccco2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5256285
763,O=[N+]([O-])c1ccccc1N1CCN(CCN2CCC(n3cc(-c4cccnc4)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5568022
764,OC(C=Cc1ccccc1)=NCc1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6295785
765,Oc1cc2c(cc1Cc1ccc(F)cc1)CCN1Cc3c(cccc3-c3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52846605
766,Oc1cc2c(cc1Cl)CCN1Cc3c(CNC4CCCCC4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59908754
767,Oc1cc2c(cc1O)C1Cc3cccc(OCCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7607055
768,Oc1cccc(CN2CCN(CCCc3cc4ccc3CCc3ccccc3CC4)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.74804115
769,CC(=O)N(c1cccc(CN2CCN(CCCCl)CC2)c1)C1CCCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6496705
770,CC(=O)c1ccc(OC2CCN(CCOc3ccc(ON)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.45579642
771,CC(O)=Nc1cccc(-c2cc3c(cc2C)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5810442
772,CCCOc1ccc(OCCF)c(C(=O)Nc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.035660855
773,CCCOc1ccc(ON)c(NC(=O)c2ccccc2OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.022275163
774,CCCOc1ccc(ON2CCC(CC(=O)c3ccc(F)cc3)CC2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23702219
775,CCCOc1ccc(ONS(C)(=O)=O)c(CCOc2ccc(C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.059713095
776,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCc3ccc(OCC(F)(F)F)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23814486
777,CCCOc1ccc(OOC)c(N2CCN(c3ccc(CC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.297248
778,CCCOc1ccc(OS(=O)(=O)NC)c(N2CCCC(CCc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2183967
779,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(Oc3ccc(CC4CCCCC4)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16537262
780,CCCOc1ccc(OS(N)(=O)=O)c(N2CCCC(Cc3ccc4c(c3)NC(=O)CC4)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28176758
781,CCCOc1ccc(OS(N)(=O)=O)c(NCCc2ccc(Cl)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07860847
782,CCOC(=O)CCCOc1ccc(OCN2CCN(c3ccccc3OC)CC2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.49775124
783,CCOCc1cccc2c1CN1CCc3cc(OC)c(C(=O)OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42171773
784,CCOc1ccccc1C1CCN(CCOc2ccc(OC)c(CS(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.72060406
785,CCOc1ccccc1N1CCN(CCN2CCC(c3cn(-c4ccccc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83504117
786,CN(c1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1)S(C)(=O)=O,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62710154
787,CNCCOc1ccc(OC)c(N2CCN(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32387012
788,CNc1cc2c(cc1O)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48032376
789,COC(=O)Oc1ccc(OCCN2CCC(NS(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.37964818
790,COC(=O)c1cccc(-c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43419385
791,COC(=O)c1ccccc1C1CCN(CCN2CCN(c3ccccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75658774
792,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(Br)c(O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7577788
793,COCCCN1CCN(Cc2cccc(-n3c(=O)[nH]c4ccccc4c3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.45316744
794,COCCCN1CCN(Cc2cccc(CNC(=O)C3(c4ccccc4)CCC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.42823157
795,COCCOc1ccc(ON2CCN(c3ccc(C(C)C)c(OC)c3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25098944
796,CON1CCN(CCNC(=O)c2ccc(OS(C)(=O)=O)c(C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2133006
797,COOc1ccc(OCCCN2CCN(c3ccccc3OC)CC2)cc1CCF,[*]CCOc1ccc(O[*])c([*])c1,0.849781
798,COc1cc2c(cc1C(=O)N(C)C)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51622343
799,COc1cc2c(cc1C(C)C)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8336794
800,COc1cc2c(cc1O)C1Cc3cccc(CNCc4cccc(C(C)=O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48568562
801,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3c(OC)cccc3C(C)C)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6656574
802,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)NOCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43128508
803,COc1cc2c(cc1OC)C1Cc3cccc(OCc4ccc(C)nc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5836733
804,COc1ccc(-c2cccc3c2CN2CCc4cc(C#Cc5ccccc5)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61025524
805,COc1ccc(Cc2cccc3c2CN2CCc4cc(Cl)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6989308
806,COc1ccc(OCCF)cc1N1CCC(C(=O)c2ccc(SC)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.17973602
807,COc1ccc(OCCN)cc1CNC(=O)c1ccc(CCCF)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.036384735
808,COc1ccc(OCCN2CCC(NC(=O)c3cccc(C(F)(F)F)c3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4367956
809,COc1ccc(OCCN2CCC(Oc3ccc4c(c3)NC(=O)CCS4)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5273226
810,COc1ccc(OCCN2CCN(Cc3ccc(F)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.47233123
811,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1CN1CCN(C=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22068447
812,COc1ccc(OCCNCc2ccco2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.10958977
813,COc1cccc(CN2CCN(CCCS(=O)(=O)c3cccs3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.52208334
814,COc1ccccc1N1CCN(CCN2CCC(OCc3ccc4ncccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8133819
815,COc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3cc(Cl)ccc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69986767
816,COc1ccccc1N1CCN(CCN2CCC(c3cc(F)ccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.86520505
817,COc1ccccc1N1CCN(c2cc(OCCCF)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.38041964
818,CSc1ccc(OCC(C)CCOc2ccc(ON=S(C)(=O)O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.046903197
819,CSc1ccccc1N1CCN(CCN2CCC(n3ccc(Cl)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7490111
820,Cc1cc(OCCCC(=O)c2ccc(F)cc2)ccc1ON1CCC(O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1903883
821,Cc1cc(OCCCCCc2ccc3c(c2)NC(=O)CCC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.14231876
822,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCCC(Cc2ccc(OC3CCCC3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.15756989
823,Cc1cc(OCCNC(=O)COc2ccccc2C2CCCCN2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.040523753
824,Cc1cc(OCCS(=O)(=O)O)ccc1ON1CCC(Oc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19339508
825,Cc1cc2c(cc1-c1ccc(O)cc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7210666
826,Cc1ccccc1N1CCN(CCN2CCC(c3ncc(-c4ccccc4)s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71659124
827,Fc1ccc(-c2cnc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)nc2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8011005
828,Fc1cccc(CN2CCN(CCCc3cnc(-c4ccccc4)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6061232
829,O=C1C(=O)N(c2cccc(CN3CCN(CCCCl)CC3)c2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63581854
830,O=C1CSc2ccccc2N1CCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7541229
831,Oc1cc(-c2cccc(CN3CCN(CCCC(F)(F)F)CC3)c2)c2ccccc2n1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6031191
832,Oc1cc2c(cc1-c1ccc(OC(F)(F)F)cc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7463987
833,Oc1cc2c(cc1O)C1Cc3cccc(N4CCCCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43503612
834,Oc1ccc2ccccc2c1-c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5930865
835,Oc1cccnc1-c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6217974
836,CC(=O)Nc1cc2c(cc1C)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.33889663
837,CC(O)c1ccccc1N1CCN(CCN2CCC(n3cccc3-c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66756576
838,CC1(C)CC(=O)N(CCCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)C(=O)C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6736434
839,CCCN(C)c1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8441269
840,CCCN(C)c1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8173286
841,CCCOc1ccc(OCCc2ccccc2OC)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19277196
842,CCCOc1ccc(ON2CCN(c3ccc(F)cc3)CC2)c(OCC=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25996315
843,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(CC3CCCCC3)=CC=C3C=CC(CC2)O3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2316826
844,CCCOc1ccc(OS(=O)(=O)N(C)C)c(N2CCC(Cc3ccc4c(c3)NC(=O)CCC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36710957
845,CCCOc1ccc(OS(C)(=O)=O)c(C(C)Cc2ccc(C3CCNCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2940072
846,CCCOc1ccc(OS(C)(=O)=O)c(C(C)Cc2ccc(OC3CCNCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3030154
847,CCCOc1ccc(OS(C)(=O)=O)c(CCC2CCc3ccccc3C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25257322
848,CCCOc1ccc(OS(C)(=O)=O)c(CNCc2ccc(CCCF)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09400418
849,CCCOc1ccc(OS(N)(=O)=O)c(N2CCCC(Cc3ccc(CC4CCSC4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17810017
850,CCN(C(=O)NCc1ccccc1)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52023613
851,CCOc1cc2c(cc1O)CCN1Cc3c(Cc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6617736
852,CCOc1ccccc1N1CCN(c2cc(OCCC(C)=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24768189
853,CNOc1ccc(OCCC(=O)COc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.0219036
854,COC(=O)c1ccc(F)c(NCSCCOc2ccc(ONS(C)(=O)=O)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.026695749
855,COC1CCN(CCN2CCN(c3ccccc3Cc3cnc(-c4ccc(Cl)cc4)o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75673676
856,COCCCN1CCN(Cc2cccc(CNC(=O)c3coc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.467262
857,COCCOc1ccc(OC)c(CCN2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8204136
858,COCCOc1ccc(OC)c(NCC(=O)c2cccc(CN3CCCCC3)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12239549
859,COc1cc(C(=O)NCCN2CCN(O)CC2)ccc1-c1cccc(F)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26550987
860,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(C=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6725948
861,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)OCc4ccc(Cl)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50732744
862,COc1cc2c(cc1OC)C1Cc3cccc(Cc4cccc5cccc(OC)c45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71327245
863,COc1cc2c(cc1Oc1ccc(C#N)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7995329
864,COc1ccc(-c2cc3c(cc2OC)CCN2Cc4c(CO)cccc4CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7665801
865,COc1ccc(CCCOc2ccc(OC)c(CN3CCN(c4ccccc4OC)CC3)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.73077095
866,COc1ccc(OCCC(=O)COc2ccc(F)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.039092187
867,COc1ccc(OCCC2CCN(C=O)CC2)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.2723512
868,COc1ccc(OCCN2CCCC(Cc3ccc(F)cc3)C2)cc1[SH](C)O,[*]CCOc1ccc(O[*])c([*])c1,0.43925062
869,COc1ccc(OCCN=S(C)(=O)O)cc1C#CCOc1cc(N)c2c(c1)CCC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.1915783
870,COc1ccc(OCCNC(=O)COc2ccccc2)cc1CNCC1CCSC1,[*]CCOc1ccc(O[*])c([*])c1,0.051789775
871,COc1ccc(OCCNC(=O)c2cccnc2)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6372782
872,COc1ccc(OCCNCc2ccccc2)cc1NS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.27418187
873,COc1ccc(OCCO)cc1N1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.37630817
874,COc1cccc(CN2CCN(CCCCNC(=O)Nc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.40430066
875,COc1cccc(COc2cc3c(cc2OC)C2Cc4cccc(C)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61758846
876,COc1cccc2c1CN1CCc3cc(C(=O)Nc4ccc(C)cc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.28465402
877,COc1cccc2c1CN1CCc3cc(CC#Cc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74189675
878,COc1ccccc1N1CCN(CCN2CCC(C(=O)NCc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87039393
879,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc4ccc(F)cc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8998689
880,CSc1ccccc1N1CCN(CCN2CCC(COc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7350252
881,Cc1cc(C(=O)NCCN2CCN(O)CC2)ccc1Cc1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2745974
882,Cc1cc(OCCCCCc2ccc3c(c2)CC(=O)CC3)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.19879632
883,Cc1cc(OCCN(C)S(C)(=O)=O)ccc1ON1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2433083
884,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCCC(Cc2ccc(C3CCC3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.18452556
885,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCCC(Cc2ccc(OC3CCCNC3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.18178846
886,Cc1cc(OCCOC2CCCCN2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.134269
887,Cc1cc2c(cc1Cc1ccc(O)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62537575
888,Cc1cccc2c1CC(C)CCN2Oc1ccc(OCCN2CCCC2=O)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1559436
889,Cc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3ccc4ncccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6331786
890,Clc1ccccc1N1CCN(CCN2CCC(n3cc(Br)c4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77211446
891,FCCCN1CCN(Cc2cccc(-c3ccc4sccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7157437
892,Fc1ccc(-c2cccc(CN3CCN(CCCc4ccccn4)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.667156
893,Fc1ccc(CC2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8124935
894,N#Cc1ccc(-c2cc3c(cc2F)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7235861
895,N#Cc1cccc(Nc2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47029677
896,O=C1CC(CCCN2CCN(Cc3cccc(F)c3)CC2)c2ccccc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6327716
897,O=S1(=O)Cc2ccc(F)cc2N1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.71921873
898,O=c1ccc2cc(Cc3cccc(CN4CCN(CCCCl)CC4)c3)ccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70664364
899,O=c1cccc(Cc2cccc(CN3CCN(CCCF)CC3)c2)o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6570888
900,Oc1cc2c(cc1Cl)CCN1Cc3c(Cc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7135605
901,Oc1cccc2c1CN1CCc3cc(-c4cccc(OCc5ccccc5)c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57902235
902,C#Cc1cccc(-c2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.695913
903,CC(=O)c1ccc(CNCCOc2ccc(ONS(C)(=O)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.05677212
904,CC(C)c1cccc2c1CN1CCc3cc(O)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7318087
905,CC=C(O)[N+](=O)c1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6965051
906,CCCC1CCc2cc(OC)c(OC)cc2C1CNc1cc(OCCS(C)(=O)=O)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.28959706
907,CCCCCN1CCN(Cc2cccc(N3c4ccccc4CS3(=O)=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7173265
908,CCCOc1ccc(OCC(=O)c2ccc(F)cc2)c(CN(C)S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.034539156
909,CCCOc1ccc(OCN2CCC(c3ccccc3OC)CC2)c(CC(N)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.42064196
910,CCCOc1ccc(ON2CCN(c3ccccc3OCC)CC2)c(C(=O)NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27927887
911,CCCOc1ccc(OS(C)(=O)=O)c(-c2ccccc2OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11045372
912,CCCOc1ccc(OS(C)(=O)=O)c(C(C)Cc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.052829947
913,CCCOc1ccc(OS(C)(=O)=O)c(C(F)Cc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07287577
914,CCCOc1ccc(OS(C)(=O)=O)c(CCCCc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27932307
915,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3cccc(NC(C)=O)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18405437
916,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(Cc3ccc(OC4CCNC(=O)C4)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18064933
917,CCCc1cccc2c1CN1CCc3cc(OCc4ccccc4)c(C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6522506
918,CCNC(C)Oc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7349249
919,CCOc1ccccc1C(=O)CCOc1ccc(OC)c(CCN2CCCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.357979
920,CCc1ccc(COc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73249733
921,CCc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7865807
922,CN(c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)S(C)(=O)=O,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7110497
923,CNCCc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.713351
924,COC1CCN(CCN2CCN(c3ccccc3-c3cc(O)nc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7071419
925,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3cnccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4229055
926,COC1CCN(CCN2CCN(c3ccccc3S(=O)(=O)c3cc(O)nc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66503364
927,COCCCN1CCN(Cc2cccc(-c3ccc(N=S(C)(=O)O)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46647367
928,COCCOc1ccc(OCN2CCN(c3cc4ccccc4n3CC=O)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34001297
929,COCc1cccc2c1CN1CCc3cc(-c4ccc(OC)cc4)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72577494
930,COOc1ccc(OCCCOc2ccc(F)cc2)cc1CCNc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.113882005
931,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(OC)c(OC)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73176533
932,COc1cc2c(cc1O)CCN1Cc3c(C=Nc4ccc(CO)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68487763
933,COc1cc2c(cc1OC)C1Cc3cccc(NC(=O)C4CC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.29919523
934,COc1ccc(CC(=O)c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56453234
935,COc1ccc(CC(C)CCOc2ccc(OOS(C)(=O)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.082467645
936,COc1ccc(OCCC(C)Cc2ccc3c(c2)CCCC3)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1722831
937,COc1ccc(OCCCNC(=O)c2ccc3c(c2)CCOC3)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.09814143
938,COc1ccc(OCCCS(=O)(=O)c2cc(F)ccc2OC)cc1N1CCNC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.24424267
939,COc1ccc(OCCCl)cc1N1CCN(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.82632154
940,COc1ccc(OCCF)cc1C(=O)NCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.044022344
941,COc1ccc(OCCN2CCC(CCc3ccc4c(c3)NC(=O)CC4)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6040164
942,COc1ccc(OCCN2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.7045254
943,COc1ccc(OCCN2CCCC(C(=O)c3ccc(F)cc3)CC2)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5841073
944,COc1ccc(OCCN2CCCC(Cc3ccccc3)C2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.38444123
945,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCC(Cc2ccc(OC3CCCC(=O)C3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.122443914
946,COc1ccc(OCCNS(C)(=O)=O)cc1NCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.10946409
947,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(c2ccc(C)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22740053
948,COc1ccc(OCCS(C)(=O)=O)cc1NC1CCC(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.16846836
949,COc1ccc(OCCS(C)(=O)=O)cc1S(=O)(=O)Nc1ccccc1C,[*]CCOc1ccc(O[*])c([*])c1,0.055426016
950,COc1ccc(OCCSC)cc1N1CCCC(Cc2ccc(OC3CCC(=O)NC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.198294
951,COc1cccc2c1CN1CCc3cc(-c4ccncc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6806853
952,COc1cccc2c1CN1CCc3cc(C)c(C(=O)Nc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.2705489
953,COc1cccc2c1CN1CCc3cc(OC(=O)OCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4715844
954,COc1ccccc1-c1cccc(CN2CCN(CCCC(=O)N3CCCCC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.314953
955,COc1ccccc1N1CCN(CCN2CCC(NC(=O)Oc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8796619
956,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cnc(O)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9036102
957,CSOc1ccc(OCCC(=O)COc2cccc(N)c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.021074066
958,Cc1cc(OCCNC(=O)COc2ccc3c(c2)CCCC3)ccc1ON(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.04286374
959,Cc1cc(OCCNCc2ccccc2)ccc1ON=S(C)O,[*]CCOc1ccc(O[*])c([*])c1,0.27446362
960,Cc1cc2c(cc1F)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7722226
961,Fc1ccc(-c2ccnc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)c2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8178199
962,Fc1nc2ccccc2n1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77672064
963,N#Cc1ccc(COc2cccc3c2CN2CCc4cc(Cl)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6818543
964,O=C(NCC1CCN(CCN2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1)c1ccccc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5865968
965,O=C(OCc1ccc(CO)cc1)c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5840877
966,O=C1Nc2cc(-c3cccc(CN4CCN(CCCCl)CC4)c3)ccc2Cc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7068269
967,O=C1c2ccccc2C[SH]1(=O)CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7040052
968,O=NC(=O)Nc1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.2777621
969,Oc1cc2c(cc1Cl)C1Cc3cccc(C#Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7597698
970,Oc1cc2c(cc1Oc1ccccc1)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6831461
971,Oc1cccc2c1CN1CCc3cc(-c4[nH]cc5ccccc45)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65570945
972,Oc1cccc2c1CN1CCc3cc(Cn4cccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6822755
973,Oc1nc2ccccc2n1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70150864
974,C=Cc1ccc(COCc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79272556
975,CC(=O)NOc1ccc(OCCNS(=O)(=O)c2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.030082386
976,CC(=O)Oc1cccc(CN2CCN(CCCCc3ccc4ccccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4398928
977,CC(=O)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48724052
978,CC(C)Oc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8242256
979,CCCOc1ccc(OC)c(CN2CCN(C(=O)C=[SH]c3ccc(C(C)=O)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06120071
980,CCCOc1ccc(OCF)c(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6810995
981,CCCOc1ccc(OCN2CCN(Cc3ccccc3OC)CC2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38342834
982,CCCOc1ccc(OCN2CCN(c3ccc(Cl)cc3)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6445964
983,CCCOc1ccc(ON2CC(C)Cc3ccccc32)c(CC(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.42105687
984,CCCOc1ccc(ON=S(C)(=O)F)c(CCOc2ccc3c(c2)NC(=O)CCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17024401
985,CCCOc1ccc(OOC)c(CCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18246917
986,CCCOc1ccc(OSC)c(NCCc2ccc(OC3CCCCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14803782
987,CCOc1cccc2c1CN1CCc3cc(OC)c(C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66399896
988,CCOc1ccccc1C1CCCN(CCOc2ccc(OC)c(S(C)(=O)=O)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.54216427
989,CN(C)c1ccc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c2ccccc12,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66817236
990,CN1C(=O)c2ccccc2C1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5838149
991,CNOc1ccc(OCCN2CCN(Cc3cccc(=O)o3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.33086416
992,COC(=O)c1ccc(Nc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3093344
993,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(Oc4ccc(F)cc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7943658
994,COC1CCN(CCN2CCN(c3ccccc3-c3noc4cc(F)ccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79078436
995,COCCCN1CCN(Cc2cccc(N3C(=O)COc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5923325
996,COCCCN1CCN(Cc2cccc(N3C(C)(C)Cc4ccccc4S3(=O)=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5662617
997,COCCOc1ccc(OC)c(N2CCCN(c3ccccc3OC)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34805328
998,COOc1ccc(OCCC(=O)COc2ccc(CF)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.018382937
999,COOc1ccc(OCCCCF)cc1CCN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.91131705
1000,COc1cc2c(cc1C(C)=Cc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6191434
1001,COc1cc2c(cc1O)C1Cc3cccc(-c4c(OC)cccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7168011
1002,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(C)cc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.689464
1003,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7309259
1004,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cc(O)cc4ccccc34)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.685114
1005,COc1ccc(C(=O)N2CCN(COc3ccc(OCCCF)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07696626
1006,COc1ccc(OCCCCCc2ccc3c(c2)CC(=O)CC3)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.15506695
1007,COc1ccc(OCCN2C(=O)CC3(CCN(CCF)CC3)CC2=O)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.48792452
1008,COc1ccc(OCCN2CCN(C)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.39061588
1009,COc1ccc(OCCNC(=O)c2ccc(OC3CCNCC3)cc2)cc1Br,[*]CCOc1ccc(O[*])c([*])c1,0.08221069
1010,COc1ccc(OCCNC(=O)c2ccccc2SC)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.05038924
1011,COc1ccc(OCCNC(C)=O)cc1N1CCC(Cc2ccc(OC3CCCCC3=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.16324994
1012,COc1ccc(OCCS(C)(=O)=O)cc1-c1c(CC2CCCCC2)ccc2c1CC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.27975398
1013,COc1ccc(OCCS(N)(=O)=O)cc1OC1CCCC(c2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.20529857
1014,COc1ccc2c(c1)CC(NCCOc1ccc(ON=S(C)(=O)O)c(C)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.35445753
1015,COc1ccc2cc(CC3CCN(c4cc(OCCS(C)(=O)=O)ccc4OC)CC3)ccc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.2407608
1016,COc1cccc(CC(=O)NCCOc2ccc(OC)c(S(N)(=O)=O)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03175367
1017,COc1cccc(CN2CCN(CCCC3C(c4ccccc4)=Cc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6124707
1018,COc1cccc(Cc2ccc(C(=O)NCCN3CCN(OC)CC3)cc2OC)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31431654
1019,COc1cccc2cccc(-c3cc4c(cc3O)C3Cc5cccc(O)c5CN3CC4)c12,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71251464
1020,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(c3ccccc3)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.60637116
1021,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.75857806
1022,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc4cccc(O)c4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.814194
1023,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cncc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7458186
1024,COc1ccccc1N1CCN(CCN2CCC(c3cccc(NC(N)=O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6757227
1025,CSC1CCN(CCN2CCN(c3ccccc3-n3cc(-c4ccccc4)nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6688982
1026,CSc1ccc(C(=O)NCCOc2ccc(OS(C)(=O)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.014852756
1027,Cc1cc(OCCCS(N)(=O)=O)ccc1ON1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2550907
1028,Cc1cc(OCCF)ccc1ON1CCC(c2ccc(S(C)(=O)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1934069
1029,Cc1cc(OCCN2CCC(Cc3ccccc3)CC2)ccc1OCN=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.48286882
1030,Cc1cc(OCCN2CCCC(COc3ccc4c(c3)NC(=O)CC4)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.43632764
1031,Cc1cc(OCCN2CCN(C)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.36312562
1032,Cc1cc(OCCN=S(C)(=O)O)ccc1ONCCc1cccc2c1CCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.08763496
1033,Cc1cc(OCCNCc2ccccn2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.09919242
1034,Cc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc[nH]3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56320506
1035,Cc1cccc(CN2CCN(CCCC3Cc4ccccc4N(C)C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72275007
1036,Cc1ccccc1N1CCN(CCN2CCC(c3nnc(-c4ccccc4)n3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6566304
1037,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)N1C(=O)Cc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67575884
1038,O=S1(=O)Cc2ccc(F)cc2N1CCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7695249
1039,OCc1cccc(-c2cccc3c2CN2CCc4cc(Cl)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58109623
1040,CC(=O)C1CCN(CCN2CCN(c3ccccc3-c3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78143334
1041,CC(=O)c1cc2c(cc1Br)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59501415
1042,CC=S(O)(O)=Nc1cccc(-c2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6416902
1043,CCCOc1ccc(ON)c(N2CCC(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3487359
1044,CCCOc1ccc(ONC(C)=O)c(N2CCC(c3ccc(F)cn3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2059552
1045,CCCOc1ccc(OOC)c(CCCn2cc(C3CCCCC3)cc2O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18641882
1046,CCCOc1ccc(OOC)c(N2CCN(c3cccc(OCC(F)(F)F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34587637
1047,CCCOc1ccc(OS(C)(=O)=O)c(C(F)COc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.057672933
1048,CCCOc1ccc(OS(N)(=O)=O)c(CCOc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.120081544
1049,CCOc1cc(F)ccc1N1CCN(Oc2ccc(OCCOC)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24815015
1050,CCOc1cc2c(cc1C(=O)O)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45518547
1051,CCc1ccccc1C1CCN(CCOc2ccc(OC)c(C=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7075048
1052,CNCCOc1ccc(ON2CCN(c3ccccc3OC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35537443
1053,CNS(=O)(=O)Oc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5818591
1054,COC1CCN(CCN2CCN(c3ccccc3-n3c(O)nc4ccccc4c3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6520011
1055,COCC(=O)C1CCCCN1CCOc1ccc(OC)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16308205
1056,COCCOc1ccc(OC)c(-c2ccccc2OCC(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16299853
1057,COCCOc1ccc(OCN2CCN(c3ccccc3OC)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7921331
1058,COOc1ccc(OCCNC(=O)COc2ccc(CCCF)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.023784006
1059,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1cccc([N+](=O)[O-])c1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.21890506
1060,COc1cc(OCCc2cc(F)ccc2F)ccc1OCN1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.45529807
1061,COc1cc2c(cc1Cl)CCN1Cc3c(cccc3N(C)C)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7178105
1062,COc1cc2c(cc1NC(=O)OCc1ccc(C(C)(C)C)cc1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.27271432
1063,COc1cc2c(cc1O)C1Cc3cccc(S(C)(=O)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7657538
1064,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(CON(C)C)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5934585
1065,COc1cc2c(cc1OC)C1Cc3cccc(Cc4cccc(CNC(C)=O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39412323
1066,COc1cc2c(cc1Oc1cccc3ccccc13)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7261129
1067,COc1cc2c(cc1[SH](C)(=O)O)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78605974
1068,COc1ccc(-c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c(C(F)(F)F)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63940865
1069,COc1ccc(OCCCC2Cc3ccc(F)cc3NC2=O)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.29998812
1070,COc1ccc(OCCCN2CCC(c3ccc(F)cc3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.8426417
1071,COc1ccc(OCCCNS(C)(=O)=O)cc1CN1CCC(Cc2ccc(SC)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.40564921
1072,COc1ccc(OCCCS(N)(=O)=O)cc1N1CCCC(COc2ccc3c(c2)NC(=O)CC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2904647
1073,COc1ccc(OCCN2CCCC(CCc3ccccc3)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5583736
1074,COc1ccc(OCCN2CCCCC2)cc1NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1C,[*]CCOc1ccc(O[*])c([*])c1,0.18318966
1075,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.14309615
1076,COc1ccc(OCCS(C)(=N)=O)cc1N1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.2683323
1077,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Cc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.37990978
1078,COc1ccc(OCCS(N)(=O)=O)cc1N1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2804219
1079,COc1ccc(SCCCN2CCN(Cc3cccc(OC)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5564076
1080,COc1ccc2cc(C(=O)Nc3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)oc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.40884584
1081,COc1cccc2c1CN1CCc3cc(C(=O)NOCc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39729744
1082,COc1cccc2c1CN1CCc3cc(NC(=O)O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34303972
1083,COc1cccc2c1CN1CCc3cc(OCCF)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7388303
1084,COc1ccccc1N1CCN(CCN2CCC(NC(=O)OCc3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8129519
1085,COc1ccccc1NC(=O)Nc1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.43973383
1086,COc1ccnc(NC2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67883325
1087,CSCCCN1CCN(Cc2cccc(N3C(=O)C(=O)c4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5739753
1088,CSOc1ccc(OCCN2CCC(Oc3ccccc3C(C)=O)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.53641677
1089,CSOc1ccc(OCCN2CCN(CCc3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.51326704
1090,CSc1cc(CN2CCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)CC2)ccc1F,[*]CCOc1ccc(O[*])c([*])c1,0.39361435
1091,CSc1ccccc1N1CCN(CCN2CCC(c3cccc(O)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7551748
1092,Cc1cc(OCCC(O)CCc2ccc3c(c2)NC(=O)CC3)ccc1ON=S(=O)(O)O,[*]CCOc1ccc(O[*])c([*])c1,0.120774545
1093,Cc1cc(OCCF)ccc1OCN1CCC(Oc2ccccc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.44739518
1094,Cc1cc(OCCF)ccc1ON1CCN(CCc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.59890974
1095,Cc1cc(OCCNC(=O)Cc2ccc(F)cc2)ccc1OCN1CCN(S(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.060044695
1096,Cc1cc(OCCNCCCc2ccccc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.27366573
1097,Cc1cc(OCCc2cccc(C(C)C)n2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06671124
1098,Cc1ccc(CCNOc2ccc(OCCN=S(C)(=O)O)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.055963762
1099,Cc1ccccc1N1CCN(CCN2CCC(CNc3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69625527
1100,Fc1ccc(Cc2cccc(CN3CCN(CCCCl)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6533203
1101,N#Cc1cccc2c1CN1CCc3cc(Cl)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7500655
1102,O=C(NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)c1cc2ccccc2nc1O,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8107105
1103,O=C1c2ccccc2CCCN1CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7397429
1104,O=S(=O)(Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2)c1ccc(F)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.374797
1105,O=[N+]([O-])c1ccccc1N1CCN(CCN2CCC(c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.61466587
1106,OCCc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74265814
1107,Oc1c2ccccc2cn1-c1ccccc1N1CCN(CCN2CCC(C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7416879
1108,CC(=O)Oc1ccc(OCCNS(=O)(=O)c2cccc(F)c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.024780333
1109,CCCCN1CCN(Cc2cccc(N3C(=O)C(=O)c4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6133205
1110,CCCOc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.618871
1111,CCCOc1ccc(OCN2CCN(CC(=O)c3ccc(F)cc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1869641
1112,CCCOc1ccc(ON2CCC(C(=O)c3ccc(F)cc3)CC2)c(SC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2053492
1113,CCCOc1ccc(ONS(=O)(=O)O)c(N2CCC(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25172004
1114,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)Cc2ccc(OC3CCNCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.055779226
1115,CCCOc1ccc(OSC)c(CCCSc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10832178
1116,CCOc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63522047
1117,CCc1cccc(CN2CCN(CCCOC)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54804677
1118,COCCCN1CCN(Cc2cccc(-c3ccc4ccc(O)nc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58060926
1119,COCCCN1CCN(Cc2cccc(CNC(=O)N(C)C3CCCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.485367
1120,COCCOc1ccc(OC)c(NCCCc2ccco2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06949539
1121,COOc1ccc(OCCN2CCCN(c3ccccc3OC(F)(F)F)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.70182365
1122,COc1cc(OC)cc(-c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7396253
1123,COc1cc2c(cc1-c1ccc(C)s1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6583104
1124,COc1cc2c(cc1CO)CCN1Cc3c(Cc4ccc(O)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7117021
1125,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccsc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79403466
1126,COc1cc2c(cc1OC)C1Cc3cccc(CCOCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7911425
1127,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(cccc3C(=O)c3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49371564
1128,COc1ccc(Cc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c(OC)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7835709
1129,COc1ccc(OCCCC(O)CCC2CNCc3cc(cc4c3CCC4)OC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.33833995
1130,COc1ccc(OCCCF)cc1CN1CCN(Cc2cc3ccccc3o2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6930119
1131,COc1ccc(OCCCN=S(C)(=O)O)cc1N1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20850487
1132,COc1ccc(OCCCNC(=O)c2ccc3ccc(F)cc3c2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.052627224
1133,COc1ccc(OCCN2CCC(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4601976
1134,COc1ccc(OCCN2CCC(C(=O)c3ccccc3C)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5235422
1135,COc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1N1CCC(c2ccc(OC(C)C=O)cn2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20361608
1136,COc1ccc(OCCNC(C)=O)cc1C(F)Cc1ccc(OC2CCCCN2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.056667123
1137,COc1ccc(OCCNC(C)=O)cc1N1CC(Cc2ccc(F)cc2)CCS1,[*]CCOc1ccc(O[*])c([*])c1,0.11364255
1138,COc1ccc(OCCNCC2CCc3ccc(S(C)(=O)=O)cc3CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.19905604
1139,COc1ccc(OCCS(C)(=O)=O)cc1CCCc1ccc2c(c1)CCC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.19345474
1140,COc1ccc(OCCS(C)(=O)=O)cc1CCCn1ccc(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13177377
1141,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(Cc2ccc3c(c2)CC(=O)CC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.26645362
1142,COc1ccc2c(ccn2C2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87850565
1143,COc1cccc(CN2CCN(CCCCn3ccc(C=C(C)O)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64540535
1144,COc1cccc2c1CN1CCc3cc(-c4ccc5[nH]ccc5c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68410885
1145,COc1cccc2c1CN1CCc3cc(-c4cccc(OC(F)(F)F)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62076056
1146,COc1cccc2c1CN1CCc3cc(CC(=O)OCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4630478
1147,COc1ccccc1C1CCCC1NCCOc1ccc(OS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18143259
1148,COc1ccccc1C1CCN(CCOc2ccc(OC)c(S(=O)(=O)OC)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6197696
1149,COc1ccccc1C1CCN(Oc2ccc(OCCO)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3000792
1150,COc1ccccc1CC1CCN(c2cc(OCCS(C)(=O)=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.30185342
1151,COc1ccccc1CN1CCN(CCCOc2ccc(OSC)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6628487
1152,CSC1CCN(CCN2CCN(c3ccccc3COc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6344085
1153,CSOc1ccc(OCCN2CCC(Cc3ccc4cccccc-4c3=O)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.4448472
1154,Cc1cc(OCCC=CCOc2ccccc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.06628374
1155,Cc1cc(OCCCCCc2ccccc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10691738
1156,Cc1cc(OCCCN2C=C(C=Cc3ccccc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2846542
1157,Cc1cc(OCCCN2CCc3ccccc3C2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5438559
1158,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC(=O)O4)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.58133173
1159,Cc1cc(OCCN2CCC(Oc3ccccc3C)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6070953
1160,Cc1cc(OCCN2CCN(C)CC2)ccc1ONS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.19714399
1161,Cc1cc(OCCN=S(C)(=O)O)ccc1OOC1CCN(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.44887626
1162,Cc1cc(OCCNC(=O)c2ccc3c(c2)C(=O)CCC3)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.0799834
1163,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.22454078
1164,Cc1cc2c(cc1O)C1Cc3cccc(N(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.702448
1165,Cc1ccc(C)c(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2C)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.16972695
1166,Cc1cccc(Oc2cccc(-c3cc4c(cc3Cl)C3Cc5cccc(O)c5CN3CC4)c2)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53251684
1167,Cc1ccccc1N1CCN(CCN2CCC(F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6688243
1168,Cc1ccccc1N1CCN(CCN2CCC(c3cccc(-c4ccc(F)cc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.653919
1169,Cc1ccnc(C2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.659185
1170,Clc1cccc(CN2CCN(CCCCCc3ccco3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70125127
1171,Fc1ccc(-c2ccnc(-c3cccc(CN4CCN(CCCCl)CC4)c3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.73046464
1172,O=C(NCc1cccc(CN2CCN(CCCF)CC2)c1)C1CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53640044
1173,O=C1CCc2ccc(Cc3cccc4c3CN3CCc5cc(O)c(O)cc5C3C4)cc2N1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5637288
1174,O=S(=O)(NCc1cccc(CN2CCN(CCCOC(F)(F)F)CC2)c1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46335885
1175,O=[N+](O)c1cccc(-c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5711505
1176,Oc1ccc2ccc(OCc3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)cc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7035862
1177,C=CC1c2ccccc2C(=O)N1C(=O)CCCN1CCN(Cc2cccc(OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.551754
1178,CC(=O)c1ccccc1N1CCN(CCN2CCC(c3ccc4nc(O)oc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6062952
1179,CC1CCN(CCN2CCN(c3ccccc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7994386
1180,CCCC(=O)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5276324
1181,CCCOc1ccc(OC(F)COc2ccc(C)cc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.077785954
1182,CCCOc1ccc(OCN2CC=C(C(=O)O)CC2)c(-c2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28573483
1183,CCCOc1ccc(ON2CCN(C(C)=O)CC2)c(C(=O)Nc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03322608
1184,CCCOc1ccc(ON2CCN(c3ccc(F)c(C(F)(F)F)c3)CC2)c(OC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13965505
1185,CCCOc1ccc(OSC)c(CNC(=O)c2ccc3ccccc3c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.036639076
1186,CCCc1csc(S(=O)(=O)NCCOc2ccc(ON3CCNCC3)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1712812
1187,CCOc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72011924
1188,CCOc1ccccc1N1CCN(c2cc(OCCOC=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.30967432
1189,COC(=O)Nc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.336841
1190,COC(=O)c1ccccc1N1CCN(CCN2CCC(c3ccc(OC)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6584694
1191,COC1CCN(CCN2CCN(c3ccccc3-c3nccn3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.695688
1192,COCCCN1CCN(Cc2cccc(C(=O)n3c(C)cc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.47408333
1193,COCCOc1ccc(OC)c(Nc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.082613505
1194,COCCOc1ccc(OCCCc2ccccc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14602494
1195,COCCOc1ccc(ONC(=O)Cc2ccccc2)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6008168
1196,COCc1cc2c(cc1O)CCN1Cc3c(Cc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61490726
1197,COCc1cc2c(cc1OC)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.696339
1198,CON1CCN(CCNC(=O)c2ccc(C(=O)O)c(-c3ccccc3[O-])c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3785783
1199,COc1cc2c(cc1C(=O)Nc1ccccc1)C1Cc3cccc(C#N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3986829
1200,COc1cc2c(cc1COCc1ccc(C#N)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.81162196
1201,COc1cc2c(cc1Cc1cccc(F)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7319577
1202,COc1cc2c(cc1O)C1Cc3cccc(-c4cc(C(F)(F)F)ccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65550596
1203,COc1cc2c(cc1O)CCN1Cc3c(Cc4cc(OC)c5ccccc5c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74701303
1204,COc1cc2c(cc1OC)C1Cc3cccc(-c4cccc(CC#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66587466
1205,COc1cc2c(cc1Oc1ccccc1)CCN1Cc3c(Cc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71928877
1206,COc1cc2c(cc1SC)CCN1Cc3c(N)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74209315
1207,COc1ccc(-c2ccc(C(=O)NCCN3CCN(OC)CC3)cc2OC)s1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.20344056
1208,COc1ccc(C(=O)NC2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8472997
1209,COc1ccc(OCCCCCCc2cccs2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.096190855
1210,COc1ccc(OCCCCOc2ccc(F)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.103894114
1211,COc1ccc(OCCCNS(=O)(=O)c2ccc(F)cc2)cc1CN1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.19382475
1212,COc1ccc(OCCCc2ccc(S(C)(=O)=O)cc2)cc1N1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24212748
1213,COc1ccc(OCCF)cc1CN1CCC(NC(=O)c2ccc(SC)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.34354055
1214,COc1ccc(OCCF)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.069011144
1215,COc1ccc(OCCN2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)cc1OC(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.6421972
1216,COc1ccc(OCCN2CCC(c3cccc(C)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.56254894
1217,COc1ccc(OCCN2CCCC(c3ccc(F)cc3)C2)cc1OC(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.48705998
1218,COc1ccc(OCCN2CCN(c3ccccc3OC)C2=O)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.40051192
1219,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCN(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20960735
1220,COc1ccc(OCCNC(=O)Cc2ccc3c(c2)CCC(=O)N3)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.06000534
1221,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1OC1CCCN(CCc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.24018876
1222,COc1ccc(OCCNCC2CCc3ccc(S(C)(=O)=O)cc3C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.20829901
1223,COc1cccc(CN2CCN(CCCc3cccc4oc(O)nc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67938507
1224,COc1cccc(CN2CCN(CCOc3ccc(OSC)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.49638683
1225,COc1cccc2c1CN1CCc3cc(C)c(CC4CCCC4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5814949
1226,COc1cccc2c1CN1CCc3cc(Cc4ccc5[nH]ccc5c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6950841
1227,COc1cccc2c1CN1CCc3cc(Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77129817
1228,COc1ccccc1-c1cc(C(=O)NCCN2CCN([O-])CC2)ccc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3375773
1229,COc1ccccc1N1CCN(CCN2CCC(n3c(O)nc4cc(O)ccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84027183
1230,CS(=O)(=O)NOc1ccc(OCCF)cc1CCN1CCC(C(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.63370097
1231,CSOc1ccc(OCCCC2CCc3ccc(OCC4CCC4)cc3C2=O)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.21819529
1232,Cc1cc(OCCN2CCCC(c3ccccc3)C2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.44850832
1233,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(Oc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18383144
1234,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1Cc2ccccc2CC(C)C1,[*]CCOc1ccc(O[*])c([*])c1,0.21973245
1235,Cc1cc(OCCN=S(C)(=O)O)ccc1ONCCc1cccc2c1NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.08405647
1236,Cc1cc(OCCNC(=O)COc2ccc(C(F)(F)F)cc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.011100863
1237,Cc1cc(OCCNCCC2COc3ccccc3C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.25426212
1238,Cc1cccc(CN2CCN(CCCc3cccc4nc(O)oc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5578962
1239,Cc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccc(F)nc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7088953
1240,ClCCCN1CCN(Cc2cccc(N=CC3COc4ccccc4N3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.753008
1241,O=C(Nc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2)Nc1c(F)cccc1F,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4179385
1242,O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42873433
1243,O=C1c2ccccc2CSN1Cc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63953704
1244,Oc1cc2c(cc1-c1cccc3[nH]ccc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7346041
1245,Oc1ccc(F)c(C2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83717734
1246,C#COc1ccc(Cc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7440707
1247,CC1(c2cccc(CN3CCN(CCCF)CC3)c2)C(=O)Nc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51582205
1248,CCCOc1ccc(OC)c(CC(=O)c2ccc(S(C)(=O)=O)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.037179302
1249,CCCOc1ccc(OCc2ccc(F)cc2)c(CN2CCN(C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.50579304
1250,CCCOc1ccc(OF)c(N2CCC(Cc3ccc(OC4CCCCC4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29195642
1251,CCCOc1ccc(OOC)c(N2CCC(c3ccccc3SC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33956325
1252,CCCOc1ccc(OOC)c(NC(=O)COc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.011930593
1253,CCCOc1ccc(OS(C)(=O)=O)c(CN2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.54909617
1254,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)Cc2ccc(C3CCCNC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.053710137
1255,CCOCCCN1CCN(Cc2cccc(C(=NOC)c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57711905
1256,CCOc1cc2c(cc1OC)CCN1Cc3c(cccc3-c3ccc(OC)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6032082
1257,CCOc1ccccc1N1CCN(CCN2CCC(c3c(Br)ccc(OC)c3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82143444
1258,CCOc1ccccc1NCCOc1ccc(ONS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.031342715
1259,CCc1ccc(Cc2cc3c(cc2OC)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65722775
1260,COC1CCN(CCN2CCN(c3ccccc3C3CCc4cc(O)ccc4C3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7854727
1261,COC1CCN(CCN2CCN(c3ccccc3S(=O)(=O)c3cc4ccccc4nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67217875
1262,COCCCN1CCN(Cc2cccc(-c3ccc4c(c3)C(=O)N(c3ccccc3)C4=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55701685
1263,COCCCN1CCN(Cc2cccc(COc3cccc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.528648
1264,COCCOc1ccc(OC)c(NCCc2cccs2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.101531684
1265,CON1CCN(CCNC(=O)c2ccc(C(=O)O)c(-c3ccc([N+](=O)[O-])cc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.15727267
1266,COc1cc(C(=O)NCCN2CCN(C(=O)O)CC2)ccc1-c1cccc(C)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.10855237
1267,COc1cc2c(cc1-c1ccc(N(C)C)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7360064
1268,COc1cc2c(cc1COCc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6844502
1269,COc1cc2c(cc1NOCc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65184754
1270,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3cccc([N+](=O)[O-])c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4934829
1271,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccccc1N,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32429504
1272,COc1ccc(CO)c(-c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6739879
1273,COc1ccc(OCCC(=O)COc2ccc3c(c2)NC(=O)CC3)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.17627457
1274,COc1ccc(OCCCOc2ccc(F)cc2)cc1CN1CCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7671218
1275,COc1ccc(OCCN2CCN(c3ccccc3OC)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.8783083
1276,COc1ccc(OCCNC(=O)CCc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.06952899
1277,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.022829697
1278,COc1ccc(OCCS(C)(=O)=O)cc1NC(=O)COc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.008478741
1279,COc1ccc(OCCS(N)(=O)=O)cc1N1CCC(Oc2ccc(C(C)C)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24087046
1280,COc1ccc(OCCS(N)(=O)=O)cc1NCCc1cccc2c1CCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.10907411
1281,COc1cccc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74926597
1282,COc1cccc(CC2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8320628
1283,COc1cccc(CN2CCN(CCCCN=C3COc4ccccc4N3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6976257
1284,COc1cccc(CN2CCN(CCCCNC(=O)C3CC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5845882
1285,COc1cccc(CN2CCN(CCCCn3cccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6260677
1286,COc1cccc(CN2CCN(CCCN3C(=O)C=C[SH]3(=O)c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5580117
1287,COc1cccc(CN2CCN(CCCc3ccc(S(C)(=O)=O)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.517464
1288,COc1cccc(COc2cccc3c2CN2CCc4cc(OC)c(CO)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5473678
1289,COc1cccc2c1CN1CCc3cc(C(=O)O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53965116
1290,COc1cccc2c1CN1CCc3cc(C(C)C)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7349623
1291,COc1cccc2cccc(-c3cccc(CN4CCN(CCCCl)CC4)c3)c12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65747994
1292,COc1ccccc1N1CCN(CCN2CCC(Cc3ccc4ccc(S)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76715297
1293,CS(=O)(=O)Oc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.701084
1294,CS(=O)(=O)c1ccc(CCCN2CCN(Cc3cccc(Cl)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5502276
1295,CSc1ccc(C(=O)NOc2ccc(OCCF)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.028772531
1296,CSc1ccc(CCCOc2ccc(ON=S(C)(=O)O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06597904
1297,CSc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7565618
1298,Cc1cc(OCCCl)ccc1OCCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.2821581
1299,Cc1cc(OCCN2CCC(COc3ccc4c(c3)NC(=O)CC4)CC2)ccc1OF,[*]CCOc1ccc(O[*])c([*])c1,0.60175455
1300,Cc1cc(OCCN2CCC(Oc3ccc(C4CCCCC4)cc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.45306024
1301,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCC(Cc2ccc(F)cc2)CC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.1342858
1302,Cc1ccc(CC2CCCN(Cc3cc(OCCF)ccc3ONS(C)(=O)=O)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.2152774
1303,Cc1cnc(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)n1-c1ccccc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6799877
1304,ClC1CCN(CCN2CCN(c3ccccc3-c3ccco3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6778806
1305,ClC1CCN(CCN2CCN(c3ccccc3Br)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76589465
1306,Clc1cccc(CN2CCN(CCCCNc3ncc(-c4ccccc4)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6834647
1307,O=C(NCCCCN1CCN(Cc2cccc(Cl)c2)CC1)Nc1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46275246
1308,O=C(Nc1cccc2ncccc12)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.28742316
1309,O=C(Nc1ccccc1)NC1CCN(CCN2CCN(c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.53666306
1310,O=C(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1ccncc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4628903
1311,O=S(=O)(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1cccc(F)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.56470627
1312,O=S(=O)(c1cccc(C(F)(F)F)c1)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.53690374
1313,O=[N+]([O-])c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51557535
1314,Oc1cc(C2CCN(CCN3CCN(c4ccccc4-c4ccccc4)CC3)CC2)ccn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7197728
1315,Oc1cc2c(cc1O)C1Cc3cccc(CNOCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6726111
1316,CC(=O)OCCCN1CCN(Cc2cccc(Cc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4735142
1317,CCCOc1ccc(OCNCC2CCc3c(cccc3OC)C2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5651352
1318,CCCOc1ccc(OCS(=O)(=O)c2ccccc2)c(N2CCC(Oc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2710296
1319,CCCOc1ccc(ON2CCN(c3ccc(F)c(C(F)(F)F)c3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28658292
1320,CCCOc1ccc(ON2CCN(c3ccccc3OCC(F)(F)F)CC2)c(OC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21361749
1321,CCCOc1ccc(ONS(C)(=O)=O)c(CN2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24245432
1322,CCCOc1ccc(ONS(C)(=O)=O)c(NC(=O)Cc2ccc(OC3CCNCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.056034137
1323,CCCOc1ccc(OOC)c(CN2CCCC(c3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.51109874
1324,CCCOc1ccc(OOC)c(N2CCC(Oc3ccc(CC4CCCC4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3549733
1325,CCCOc1ccc(OS(N)(=O)=O)c(C2CCN(CCc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6905761
1326,CCCOc1ccc(OSC)c(NS(=O)(=O)c2cccc(C(C)C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07728406
1327,CCOc1ccccc1N1CCN(CCOc2ccc(OC)c(C(C)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.82382786
1328,CCOc1ccccc1OCCCOc1ccc(OOC)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11083723
1329,CCSc1ccccc1N1CCN(CCN2CCC(n3ccc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6182602
1330,CN(Cc1ccccc1)C(=O)Cc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5117901
1331,CNC(=O)Cc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38393277
1332,COC1CCN(CCN2CCN(c3ccccc3-n3cc(-c4ccccc4)c(C)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67768997
1333,COC1CCN(CCN2CCN(c3ccccc3Cc3cnno3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7566037
1334,COC1CCN(CCN2CCN(c3ccccc3Oc3cccc(C(F)(F)F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8981986
1335,COCC1CCCc2cc(CC(=O)Nc3cc(OCCS(C)(=O)=O)ccc3OC)ccc21,[*]CCOc1ccc(O[*])c([*])c1,0.14777616
1336,COCCCN1CCN(Cc2cccc(-c3nccs3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6003532
1337,COCCCN1CCN(Cc2cccc(CCNC(=O)c3cccs3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.35910726
1338,COCCOc1ccc(OCC(=O)Nc2ccc(F)cc2OC)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.013760687
1339,COc1cc2c(cc1CO)C1Cc3cccc(C(=O)c4ccc(N(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47925177
1340,COc1cc2c(cc1F)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7699415
1341,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(COc5ccccc5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6278182
1342,COc1cc2c(cc1O)C1Cc3cccc(CNOCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6834164
1343,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)OCc3ccc(C(F)(F)F)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52721834
1344,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)c3ccc4[nH]ccc4c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5329202
1345,COc1cc2c(cc1OCc1cccc([N+](=O)[O-])c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50153863
1346,COc1cc2c(cc1OCc1cccnc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6948286
1347,COc1ccc(-c2cc(C(=O)NCCN3CCN(O)CC3)ccc2OC)c(OC)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.20991777
1348,COc1ccc(C(=O)Cc2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70882154
1349,COc1ccc(C=Cc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8338543
1350,COc1ccc(OCCC(=O)COc2ccccc2)cc1NC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.015247423
1351,COc1ccc(OCCC(F)CCc2ccc3c(c2)NC(=O)CC3)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.24610315
1352,COc1ccc(OCCCN2CCN(C)CC2)cc1-c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.60633266
1353,COc1ccc(OCCCN2CCN(c3ccccc3OC)CC2)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.91531855
1354,COc1ccc(OCCN2CCC(C(=O)Cc3ccc(F)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5840864
1355,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(Cc2ccc3c(c2)NC(=O)CCC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.344403
1356,COc1ccc(OCCNC(=O)c2ccc(C(F)(F)F)cc2)cc1NC(=O)C1CCNC1,[*]CCOc1ccc(O[*])c([*])c1,0.06014034
1357,COc1ccc(OCCNC(=O)c2cccs2)cc1CN1CCC(C(=O)O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.35713097
1358,COc1ccc(OCCS(N)(=O)=O)cc1N1CCC(Cc2ccc(OC3CCCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23652576
1359,COc1ccc(OCCS(N)(=O)=O)cc1NCC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.27260107
1360,COc1ccc(OCCc2ccc(C=[SH](C)=O)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08057475
1361,COc1cccc(CN2CCN(CCCC(=O)c3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61516523
1362,COc1ccccc1N1CCN(CCN2CCC(NC(=O)Nc3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71060556
1363,COc1ccccc1N1CCN(CCN2CCC(NCc3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8721692
1364,COc1ccccc1N1CCN(CCN2CCC(c3ccc4ncc(C(F)(F)F)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7225835
1365,CSc1ccc(C(=O)C2CCN(CC(=O)c3cc(OCCF)ccc3ON(C)C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.39660805
1366,Cc1cc(OCCN2CCC(c3ccccc3C(F)(F)F)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.61910576
1367,Cc1cc(OCCN=S(C)(=O)c2ccc(C(C)O)cc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.023552423
1368,Cc1cc(OCCNC(=O)c2ccc(F)c(S(N)(=O)=O)c2)ccc1OOC1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.049170546
1369,Cc1cc(OCCNCc2cccs2)ccc1O[SH]=O,[*]CCOc1ccc(O[*])c([*])c1,0.11601515
1370,Cc1cc(OCCOS(C)(=O)=O)ccc1ON1CCC(COc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20141298
1371,Cc1cccc(CN2CCN(CCCc3cccs3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6311462
1372,ClCCCN1CCN(Cc2cccc(C3OCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6865055
1373,Fc1ccccc1N1CCN(CCN2CCC(n3ccc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65638715
1374,Fc1cnc(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)c(F)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76503026
1375,N#Cc1cccc(CCCN2CCN(Cc3cccc(Cl)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.73142064
1376,Nc1ccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6602822
1377,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)N1CCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59738266
1378,O=C(NCCN1CCN(Cl)CC1)c1ccc(Cl)c(-c2cccs2)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.36930478
1379,O=C(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1ccccc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4628903
1380,O=C1C=C(c2cccc(CN3CCN(CCCF)CC3)c2)C(=O)C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67658025
1381,O=[N+]([O-])c1ccccc1N1CCN(CCN2CCC(Oc3ccc4nc(O)ccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.48734084
1382,CC(=O)c1cc2c(cc1O)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39702824
1383,CC1CCN(CCN2CCN(c3ccccc3-n3ccnc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6749299
1384,CCCOc1ccc(OCOCC)c(NC2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.42888406
1385,CCCOc1ccc(OOC)c(C2CCN(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7666287
1386,CCCOc1ccc(OS(N)(=O)=O)c(CCCc2coc3ccc(F)cc23)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16284837
1387,CCN1C(=O)CCc2ccc(C(=O)NCc3cc(OCCOC)ccc3OC)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.13241562
1388,CCOC1CCN(CCN2CCN(c3ccccc3-c3ccc(C(F)(F)F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.636688
1389,CCOC1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84658396
1390,CNSOc1ccc(OCCN2CCC(c3cccc(OC)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.7080278
1391,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3cnc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.43278775
1392,COCCCN1CCN(Cc2cccc(CNc3cccc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.40256074
1393,COCCOc1ccc(OC)c(CCNC(=O)c2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.032749202
1394,COOc1ccc(OCCNCCc2cc3ccccc3o2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.21954112
1395,COc1cc2c(cc1C)CCN1Cc3c(cccc3-c3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64258206
1396,COc1cc2c(cc1CNc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58693534
1397,COc1cc2c(cc1CO)CCN1Cc3c(COCc4ccc(C#N)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7726641
1398,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccc5cc(C#N)ccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6052539
1399,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cccc([N+](C)=O)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66765666
1400,COc1cc2c(cc1O)CCN1Cc3c(cccc3C3=CC=C4C=CC(C#N)=CC(=C4C)C=C3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4897786
1401,COc1cc2c(cc1O)CCN1Cc3c(cccc3Oc3ccccc3C)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7022133
1402,COc1cc2c(cc1OC)C1Cc3cccc(C=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7654493
1403,COc1ccc(OCCC(=O)CCc2ccccc2)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6642115
1404,COc1ccc(OCCC(O)CCc2ccc3c(c2)NC(=O)CC3)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.21155481
1405,COc1ccc(OCCCCCc2ccccc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.117414296
1406,COc1ccc(OCCCN)cc1COc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.16333239
1407,COc1ccc(OCCCNC(=O)c2cccs2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.061202955
1408,COc1ccc(OCCN2CCC(NC(=O)c3ccc(SC)cc3)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.49950612
1409,COc1ccc(OCCN2CCC(Oc3ccc(CF)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.6016848
1410,COc1ccc(OCCN2CCC(c3ccccc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.72565883
1411,COc1ccc(OCCN=S(C)(=O)O)cc1COc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06773169
1412,COc1ccc(OCCNC(C)=O)cc1-c1ccccc1OCCF,[*]CCOc1ccc(O[*])c([*])c1,0.046075877
1413,COc1ccc(OCCNC2CCC(c3ccc(F)cc3)CC2)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.0803767
1414,COc1ccc(OCCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.053005192
1415,COc1ccc(OCCNS(C)(=O)=O)cc1N1C(=O)CCc2ccc(CCC3CCCC3)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.20032771
1416,COc1ccc(OCCNS(C)(=O)=O)cc1NC(=O)Cc1ccc2c(c1)CC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.058006894
1417,COc1ccc(OCCOS(C)(=O)=O)cc1N1CCC(Oc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2936811
1418,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(CCc2ccc3c(c2)C(=O)CCC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21993212
1419,COc1ccc(OCCS(C)=O)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.076285645
1420,COc1ccc2cc(C(=O)NCCCCN3CCN(Cc4cccc(Cl)c4)CC3)ccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5815474
1421,COc1cccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2[N+](=O)[O-])c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27403176
1422,COc1cccc(-c2ccccc2N2CCN(CCN3CCC(OC(C)C)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82027864
1423,COc1cccc(CN2CCN(CCCCNc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51035005
1424,COc1cccc(CN2CCN(CCCNC(=O)c3ccoc3-c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.331929
1425,COc1cccc(CNCCOc2ccc(OS(=O)(=O)O)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0946092
1426,COc1ccccc1-c1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.661761
1427,COc1ccccc1N1CCN(CCN2CCC(Oc3ccc(-c4cccnc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7877847
1428,COc1ccccc1NC1CCN(CCN2CCN(c3ccccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4912881
1429,CS(=O)(=O)NOc1ccc(OCCF)cc1CN1CCCC(Cc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.26194534
1430,CSOc1ccc(OCCC2CCN(Cc3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6035078
1431,CSOc1ccc(OCCN2CCC(Cc3ccccc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.48526523
1432,Cc1cc(OCCCCCc2ccc3c(c2)CCC(=O)N3)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.1834417
1433,Cc1cc(OCCCN2CCC(C(=O)N3c4ccccc4CC3C)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.47104996
1434,Cc1cc(OCCF)ccc1ON1CCN(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.34483027
1435,Cc1cc(OCCN2CCC(CCc3ccc4c(c3)NC(=O)CC4)CC2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6324337
1436,Cc1cc(OCCN2CCC(Oc3ccccc3F)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5304923
1437,Cc1cc(OCCN2CCC(c3ccccc3)CC2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6459615
1438,Cc1cc(OCCN2CCN(CCN3Cc4ccccc4CC3C)C2=O)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.3957392
1439,Cc1cc(OCCN2CCN(c3ccccc3OCCF)CC2)ccc1OSO,[*]CCOc1ccc(O[*])c([*])c1,0.6939474
1440,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(Oc2ccccc2C=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18647563
1441,Cc1cc(OCCNS(=O)(=O)c2cc(CC3CCCCN3)ccc2F)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.15706816
1442,Clc1ccc(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)nn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8350746
1443,Clc1cccc(CN2CCN(CCCCn3ccc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7692035
1444,Clc1cccc(CN2CCN(CCCc3ncc(-c4ccccc4)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64409757
1445,N#Cc1ccc(C(=O)NCc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7117997
1446,O=C1CNCCN1c1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49176508
1447,O=C1c2ccccc2S(=O)(=O)N1c1cccc(CN2CCN(CCCO)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62325907
1448,O=S(=O)(Nc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2)c1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44102067
1449,O=S1(=O)CCc2ccccc2N1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7337704
1450,Oc1ccccc1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6381739
1451,Oc1ncc(C2CCN(CCN3CCN(c4ccccc4F)CC3)CC2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6609277
1452,CC(C)c1ccc(S(=O)(=O)N(C)Oc2ccc(OCC[O-])cc2CN(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.037576042
1453,CC1CCN(CCN2CCN(c3ccccc3Oc3ncc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78603685
1454,CCCN1CCC(Oc2ccc(OCCC(=O)OC)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.45838857
1455,CCCOc1ccc(OCN2CCC(c3ccccc3C=O)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5082342
1456,CCCOc1ccc(ON2CCCC(c3ccccc3)C2)c(OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28268167
1457,CCCOc1ccc(ONS(C)(=O)=O)c(C2CCC(Sc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22731346
1458,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(Oc3ccc(Br)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30761218
1459,CCCOc1ccc(OS(=O)(=O)NC(C)=O)c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10452113
1460,CCOC(=O)NCc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4751042
1461,CCOCCCCOc1ccc(OC)c(C(=O)N2CCCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.02774014
1462,CCc1cc(OCCN(C)C)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.1751343
1463,CN(C)S(=O)(=O)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64775556
1464,COC(=O)Cc1cccc2c1CN1CCc3cc(O)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5099242
1465,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(C(F)(F)F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8198846
1466,COC1CCN(CCN2CCN(c3ccccc3-c3ccccc3-c3ccco3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6650535
1467,COC1CCN(CCN2CCN(c3ccccc3Oc3cccc4nccnc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85253406
1468,COOc1ccc(OCCc2ccc(OCCF)nc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.14387694
1469,COc1cc2c(cc1CO)C1Cc3cccc(CO)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71049947
1470,COc1cc2c(cc1O)CCN1Cc3c(cccc3C3(C)CCCC3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7960243
1471,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3ccc(F)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69523984
1472,COc1cc2c(cc1OC)C1Cc3cccc(CNC(=O)c4ccc(C(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43700126
1473,COc1cc2c(cc1S(C)(=O)=O)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7629448
1474,COc1cc2c(cc1[N+](=O)c1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6791344
1475,COc1ccc(OCCC(=O)COc2ccc(CF)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.025165468
1476,COc1ccc(OCCC(F)COc2ccccc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09298683
1477,COc1ccc(OCCC2CCN(C(=O)c3ccc(F)cc3)CC2)cc1SC(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10778612
1478,COc1ccc(OCCF)cc1S(=O)(=O)C1(C)CCN(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.43167147
1479,COc1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1NS(=O)(=O)C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.42593506
1480,COc1ccc(OCCN2CCC(NC(=O)c3ccccc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.48507205
1481,COc1ccc(OCCN2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.529571
1482,COc1ccc(OCCN2CCC(c3ccc(C(=O)c4ccc(F)cc4)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5358352
1483,COc1ccc(OCCN2CCC(c3ccc(OC4CCC(=O)NC4)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6395097
1484,COc1ccc(OCCN2CCC(c3cccc(OCC(F)(F)F)c3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.79014224
1485,COc1ccc(OCCN2CCCC(Cc3cccc(C(F)(F)F)c3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4226787
1486,COc1ccc(OCCN2CCCC(c3ccccc3OC3CCCC3)C2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.6640195
1487,COc1ccc(OCCN2CCCCC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.3076259
1488,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCN(c2ccc(CC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18080647
1489,COc1ccc(OCCNS(C)(=O)=O)cc1OC(=O)CCc1ccc2c(c1)CC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.11044122
1490,COc1ccc(OCCS(C)(=O)=O)cc1C(F)Cc1ccc(C2CCNCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.20755559
1491,COc1ccc(OCCS(C)(=O)=O)cc1OC1CCc2ccc(CC3CCC(=O)CC3)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.31900752
1492,COc1cccc(CN2CCN(CCCN3C(C)c4ccccc4S3(=O)=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.517132
1493,COc1cccc(CN2CCN(CCCc3ccc4c(c3)NC(=O)CO4)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61609644
1494,COc1cccc(Cc2cc3c(cc2OC)C2Cc4cccc(OCc5ccccc5)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.695227
1495,COc1cccc2c1CN1CCc3cc(OCc4ccc(CO)cc4)c(C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57459724
1496,COc1ccccc1N1CCN(CCN2CCC(n3cc(C(F)(F)F)nc3C(C)(C)C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7753777
1497,COc1ccccc1N1CCN(CCNC(=O)c2ccc(C)c(S(C)(=O)=O)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.8351742
1498,CS(=O)(=O)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.579157
1499,CSOc1ccc(OCCNC(=O)COc2ccc(CF)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.028241154
1500,CSc1cccc(OCC(=O)NCCOc2ccc(OS(C)(=O)=O)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.007076325
1501,Cc1cc(OCCCN2CCC(Cc3ccccc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.61110973
1502,Cc1cc(OCCN2CCC(Cc3ccc4ccccc4c3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5749338
1503,Cc1cc(OCCN2CCCC(CCc3ccccc3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3995177
1504,Cc1cc(OCCNC(=O)COc2ccc3c(c2)CC(=O)CC3)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.0612788
1505,Cc1cc(OCCNCCc2ccc3c(c2)NC(=O)CCC3)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.20266114
1506,Cc1ccccc1N1CCN(CCN2CCC(c3cccc(F)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71970516
1507,ClC1CCN(CCN2CCN(c3ccccc3-c3cccnn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8262554
1508,ClC1CCN(CCN2CCN(c3ccccc3COc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71196747
1509,FCCOCCCN1CCN(Cc2cccc(-c3cccs3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6420218
1510,N=Cc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6341165
1511,O=C(NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)c1ccc(-c2cccnc2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82450867
1512,O=C1CSc2ccccc2N1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7027496
1513,O=S(=O)(Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)c1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5634202
1514,O=[N+]([O-])c1cccc(CN2CCN(CCCCc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6399975
1515,O=c1oc2ccccc2n1CCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7122548
1516,OC1CCN(CCN2CCN(c3ccccc3-c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7874908
1517,Oc1cc2c(cc1NC1CCC1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53664917
1518,Oc1cc2c(cc1O)C1Cc3cccc(-c4ccc(COC5CCCCN5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6103114
1519,Oc1cccc2c1CN1CCc3cc(-c4cc(O)c5ccccc5c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6652921
1520,C=CCOc1ccccc1N1CCN(CCOc2ccc(OC)c(S(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.9024508
1521,CC(C)(c1cccc(CN2CCN(CCCCl)CC2)c1)N1C(=O)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6348263
1522,CC(C)Oc1cccc(Cc2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58359945
1523,CC(C)c1ccccc1N1CCN(CCN2CCC(C(=O)N3c4ccccc4CC3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.63874096
1524,CCCNC(=O)c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50991523
1525,CCCOc1ccc(OC)c(S(=O)(=O)NS(=O)(=O)c2ccc(C(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.087063044
1526,CCCOc1ccc(OCN2CCN(c3ccc(F)cc3)CC2)c(C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.50231534
1527,CCCOc1ccc(ON2CCC(Cc3ccc4c(c3)NC(=O)CCC4)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36661834
1528,CCCOc1ccc(ON2CCN(c3ccccc3OC)CC2)c(COC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33209193
1529,CCCOc1ccc(ONCc2ccc(F)cc2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0816376
1530,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCCC(Cc3ccc(OC4CCC(=O)NC4)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2052476
1531,CCCOc1ccc(OOS(C)(=O)=O)c(NC(=O)COc2cccc(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.005924415
1532,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(COc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30075282
1533,CCOC1CCN(CCN2CCN(c3ccccc3-c3ccc4ccc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6932474
1534,CCOCCCN1CCN(Cc2cccc(Cc3cccc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55306894
1535,CCONCc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63938963
1536,CCSc1ccccc1N1CCN(Cc2cc(OCCF)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7234396
1537,CN=S(=O)(O)CCOc1ccc(OC)c(N2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1906324
1538,COC(=O)CCOc1ccc(OC)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.029529551
1539,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)Nc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5784698
1540,COC1CCN(CCN2CCN(c3ccccc3Cc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76219535
1541,COCCCN1CCN(Cc2cccc(-c3ccc4[nH]c(=O)n(-c5ccccc5)c(=O)c4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.526576
1542,CON1CCN(CCNC(=O)c2ccc(Cl)c(-c3ccccc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.39132008
1543,COOc1ccc(OCCN2CCC(NS(=O)(=O)c3cccc(F)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.62968725
1544,COOc1ccc(OCCNCCc2cccc(F)c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.23982957
1545,COc1cc2c(cc1O)C1Cc3cccc(C(=O)OCc4ccc([N+](=O)C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50481963
1546,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cccc(O)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7673266
1547,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)NCc3ccccc3C#N)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49585867
1548,COc1cc2c(cc1OC)C1Cc3cccc(C=S(O)N(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70127994
1549,COc1cc2c(cc1OC)C1Cc3cccc(NC(=O)c4ccc(N(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.27975863
1550,COc1ccc(-c2cc3c(cc2OC)C2Cc4cccc(C)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.649654
1551,COc1ccc(-c2ccc(C(=O)NCCN3CCN(OC)CC3)cc2OC)c(OC)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.22896737
1552,COc1ccc(-c2ccn(Cc3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)c2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6637685
1553,COc1ccc(C(=O)c2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4854374
1554,COc1ccc(COc2cc3c(cc2OC)CCN2Cc4c(C#N)cccc4CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7404392
1555,COc1ccc(COc2cc3c(cc2OC)CCN2Cc4c(C=O)cccc4CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6432788
1556,COc1ccc(OCCCF)cc1NC(=O)C1CCCN(Cc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.20851347
1557,COc1ccc(OCCF)cc1CC(=O)N1CCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.081643455
1558,COc1ccc(OCCN(C)C)cc1N1CCCC(c2cccc(C(F)(F)F)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.38774496
1559,COc1ccc(OCCN2CCC(Cc3ccc(F)cc3)CC2)cc1C=O,[*]CCOc1ccc(O[*])c([*])c1,0.61610574
1560,COc1ccc(OCCN2CCC(Cc3ccc(OC4CCCC4)c(CC(F)(F)F)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5199986
1561,COc1ccc(OCCN2CCC(c3cccc(S(C)(=O)=O)c3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.8131543
1562,COc1ccc(OCCN2CCCCC2c2ccccc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.36737424
1563,COc1ccc(OCCN2CCN(Cc3ccc(F)cc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.5616465
1564,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCC(CCc2ccc3c(c2)CNC(=O)C3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27575698
1565,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1CN1CCN(S(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.06571355
1566,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Oc2ccc(CC3CCC(=O)CC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.34003383
1567,COc1ccc(OCCS(C)(=O)=O)cc1N1CCN(C(=O)Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.05959923
1568,COc1cccc(CN2CCN(CCCCOc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68421084
1569,COc1cccc(CN2CCN(CCCc3cccc(-c4ccccc4OC)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6353156
1570,COc1cccc(CN2CCN(CCCc3coc(-c4ccccc4)n3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5604518
1571,COc1ccccc1N1CCN(CCN2CCC(c3nccs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8534044
1572,CSOc1ccc(OCCN2CCN(Cc3cccc(=O)o3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.4479076
1573,CSc1ccc(CS(=O)(=O)NOc2ccc(OCCF)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.048824597
1574,Cc1cc(OCCCCCc2ccc3c(c2)NC(=O)CC3)ccc1ON1CCOCC1,[*]CCOc1ccc(O[*])c([*])c1,0.21054475
1575,Cc1cc(OCCCS(=O)(=O)c2ccc(F)c(F)c2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.054899864
1576,Cc1cc(OCCN2CCC(Oc3ccccc3C=O)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5764492
1577,Cc1cc(OCCN2CCCC(S(=O)(=O)c3ccc(F)cc3)C2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.42034805
1578,Cc1cc(OCCNC(=O)COc2ccccc2)ccc1ON1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.08991192
1579,Cc1ccccc1N1CCN(CCN2CCC(c3cnco3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6948104
1580,ClC1CCN(CCN2CCN(c3ccccc3-c3cnc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7965518
1581,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)n1ccc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5620179
1582,O=C(c1cccc(CN2CCN(CCCF)CC2)c1)C1CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6289944
1583,O=C1c2ccccc2CCN1c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7251805
1584,OC1CCN(CCN2CCN(c3ccccc3-c3ccc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7355824
1585,Oc1cc2c(cc1O)C1Cc3cccc(CCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7643861
1586,CC1Cc2ccccc2N1C(=O)CCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63514906
1587,CC=S(O)(O)=Nc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72803557
1588,CCC(=O)Oc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5800437
1589,CCCOc1ccc(OCN2CCC(c3ccccc3CC)CC2)c(OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.46662205
1590,CCCOc1ccc(OCl)c(NC(=O)COc2ccccc2CC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.007753691
1591,CCCOc1ccc(OOC)c(CCOc2ccc(SC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.111418
1592,CCCOc1ccc(OS(C)(=O)=O)c(C(O)CCc2ccc3c(c2)NC(=O)CCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19098371
1593,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(Cc3ccc(OCC)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.186033
1594,CCOC1CCN(CCN2CCN(c3ccccc3-c3cc(O)nc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.668296
1595,CCSCc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6867622
1596,COC(=O)Nc1ccc(Cc2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.33986008
1597,COC(=O)Nc1cccc(-c2cccc3c2CN2CCc4cc(OCc5ccccc5)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.2912664
1598,COC1CCN(CCN2CCN(c3ccccc3OCc3ccc4ccc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8509272
1599,COCCOc1ccc(ON2CCNC2=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17434034
1600,COOc1ccc(OCCCCCc2ccc3c(c2)CC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.2400615
1601,COOc1ccc(OCCNC(=O)c2ccc(C)s2)cc1CC1CCN(Cc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.39814684
1602,COc1cc2c(cc1C(=O)OCc1ccc(C)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45104772
1603,COc1cc2c(cc1Cc1ccccc1)C1Cc3cccc(F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5723035
1604,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)OCc4ccc(NC(C)=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32601503
1605,COc1ccc(C(=O)NCCN2CCN(O)CC2)cc1-c1cc(C)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.16357625
1606,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1[N+](=O)c1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35974646
1607,COc1ccc(CCCCN2CCN(Cc3cccc(F)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6145418
1608,COc1ccc(CN(C)Cc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78886193
1609,COc1ccc(OCCC(=O)COc2ccccc2)cc1CNCC1CCc2ccccc2O1,[*]CCOc1ccc(O[*])c([*])c1,0.27288678
1610,COc1ccc(OCCC2CCC(Cc3ccccc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16633755
1611,COc1ccc(OCCC2CCN(C)CC2)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.54961854
1612,COc1ccc(OCCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.9113874
1613,COc1ccc(OCCN2CC=C(c3ccc(F)cc3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4149622
1614,COc1ccc(OCCN2CCCC(CCc3ccccc3)C2)cc1S(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.40330797
1615,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1CSCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.04997197
1616,COc1ccc(OCCS(C)(=O)=O)cc1OC1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.16217346
1617,COc1ccc(OCCSC)cc1NCC(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.031637017
1618,COc1ccc2c(c1)CCN(CCCN1CCN(Cc3cccc(Cl)c3)CC1)C2=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7045023
1619,COc1cccc(CN2CCN(CCCC3Cc4ccccc4C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70932454
1620,COc1cccc2c1CN1CCc3cc(-c4ccc(C#N)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74691135
1621,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc4ccc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77145714
1622,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.86464554
1623,COc1ccccc1N1CCN(CCN2CCC(Nc3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9099744
1624,COc1ccccc1N1CCN(CCN2CCC(n3c(O)cc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79311305
1625,COc1ccccc1N1CCN(Cc2cc(OCCF)ccc2OCl)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8967026
1626,COc1cccn1CCCCN1CCN(Cc2cccc(C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6279632
1627,CSOc1ccc(OCCN2CCN(CCc3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5798086
1628,CSOc1ccc(OCCNC(=O)c2cccc(C3CCN(C)CC3)c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.20404835
1629,Cc1cc(OCCC(=O)CCc2ccc3c(c2)NC(=O)CC3)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1455637
1630,Cc1cc(OCCCCCc2ccc3c(c2)NC(=O)CC3)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.19777371
1631,Cc1cc(OCCN2CCC(Cc3ccc(F)cc3)CC2)ccc1ON=S(C)O,[*]CCOc1ccc(O[*])c([*])c1,0.5520179
1632,Cc1cc(OCCN2CCC(Cc3ccccc3)C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.47864866
1633,Cc1cc(OCCN2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.54777354
1634,Cc1cc(OCCN2CCCC(O)(c3ccc(Cl)cc3)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.38325673
1635,Cc1cc(OCCc2ccc(S(C)(=O)=O)cc2)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.052298665
1636,Cc1cccc(CN2CCN(CCCC3OCCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6304768
1637,Cc1ccccc1N1CCN(CCN2CCC(c3cccnc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6084202
1638,Cc1ccn(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73154205
1639,Cc1nn(-c2ccccc2N2CCN(CCN3CCC(=O)CC3)CC2)cc1-c1ccccc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.63931775
1640,N#Cc1ccccc1N1CCN(CCN2CCC(n3ccc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7735227
1641,NC(=O)c1ccccc1N1CCN(CCN2CCC(c3ccc(F)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70866287
1642,O=C(NCCCCN1CCN(Cc2cccc(CO)c2)CC1)c1cc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6994122
1643,O=C(NCCN1CCN(Cl)CC1)c1ccc(O)c(-c2ccccc2)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.41785416
1644,O=C(c1cccc(CN2CCN(CCCCl)CC2)c1)N1COc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4854632
1645,O=C1CSc2ccccc2N1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7327088
1646,O=S1(=O)Cc2ccccc2N1c1cccc(CN2CCN(CCCO)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6844463
1647,O=[N+](O)c1cccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52646935
1648,O=[N+]([O-])c1ccc(Cc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.527118
1649,O=c1n(CCCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)ccn1-c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62089163
1650,Oc1ccc2ccc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)cc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7114836
1651,Oc1cccc2c1CN1CCc3cc(NCN4CCCC4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57811785
1652,Oc1ccccc1N1CCN(CCN2CCC(c3cc4ccccc4nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7216328
1653,C#Cc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7654483
1654,CC(=O)NCCOc1ccc(ON2CCN(C)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.123442136
1655,CC(=O)c1ccc(CC(=O)NCc2cc(OCCF)ccc2ONS(C)(=O)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.016073585
1656,CC1CCN(CCN2CCN(c3ccccc3S(=O)(=O)c3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66656154
1657,CCCC1CCN(Oc2ccc(OCCOC)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29234606
1658,CCCCc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76623446
1659,CCCOc1ccc(OCCCc2cccnc2)c(CN(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.106931865
1660,CCCOc1ccc(OCn2cccc2OCC(F)(F)F)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11609892
1661,CCCOc1ccc(ON)c(-c2ccc(C(C)c3ccccc3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11854455
1662,CCCOc1ccc(ONCCc2ccc(F)cc2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07283229
1663,CCCOc1ccc(ONS(C)(=O)=O)c(CNc2ccc3c(CCO)cc(CC(C)=O)cc3c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.01894371
1664,CCCOc1ccc(OOC)c(-c2ccccc2OCC(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18314146
1665,CCCOc1ccc(OS(N)(=O)=O)c(N2CCCC(Cc3cc(=O)oc4ccc(F)cc34)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15447652
1666,CCCOc1ccc(OS(N)(=O)=O)c(N2CCCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28759295
1667,CCCOc1ccc(O[N+](C)=O)c(N2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29529124
1668,CCOC1CCN(CCN2CCN(c3ccccc3-n3ccc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67249686
1669,CCOc1cc2c(cc1OC)CCN1Cc3c(CCc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6569947
1670,CCc1ccc(C(=O)NCCOc2ccc(OC)c(CN3CCCCC3)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.14509162
1671,CN[N+](=O)c1cccc(-c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51400375
1672,COC1CCN(CCN2CCN(c3ccccc3N3C=Nc4ccccc4C(=O)C3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6449396
1673,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3cc(O)nc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.38704214
1674,COCCCN1CCN(Cc2cccc(CNS(=O)(=O)c3cccs3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.45728692
1675,COCCOc1ccc(OC)c(NC(=O)Cc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.010749068
1676,COOc1ccc(OCCNC(=O)COc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.018947197
1677,COc1cc2c(cc1CNC(C)c1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42002946
1678,COc1cc2c(cc1O)C1Cc3cccc(COc4cccc(C)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7262956
1679,COc1cc2c(cc1O)C1Cc3cccc(Cc4cccs4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74546623
1680,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cccc([N+](=O)O)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6676551
1681,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3ccc(OCCF)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6851327
1682,COc1cc2c(cc1O)CCN1Cc3c(cccc3Oc3ccc(C(F)(F)F)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7908512
1683,COc1ccc(Cc2cccc3c2CN2CCc4cc(O)c(Cl)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7016912
1684,COc1ccc(OCCCNC(=O)Cc2ccccc2)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.57113457
1685,COc1ccc(OCCN2CCN(CC(C)c3ccccc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5231658
1686,COc1ccc(OCCN=S(C)(=O)O)cc1C=Cc1ccccc1OC1CCNC1,[*]CCOc1ccc(O[*])c([*])c1,0.18458828
1687,COc1ccc(OCCS(N)(=O)=O)cc1C=CCOc1ccc(C(F)(F)F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06354706
1688,COc1ccc(OCCS(N)(=O)=O)cc1N1CCC(Oc2ccc(C(C)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.17072196
1689,COc1ccc(OCCSC(N)=O)cc1N1CCCC(Cc2ccc3c(c2)NC(=O)CC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.22399163
1690,COc1ccc(OCCSC)cc1N1CCN(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3402665
1691,COc1cccc(CN2CCN(CCCC3=CC(=O)c4ccccc4C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53253525
1692,COc1cccc(Oc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84674746
1693,COc1cccc2c1CN1CCc3cc(-c4cc5cccnc5[nH]4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62936693
1694,COc1cccc2c1CN1CCc3cc(C(=O)CO)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5535063
1695,COc1ccccc1-c1cc(C(=O)NCCN2CCN(Br)CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.39018488
1696,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(C(=O)O)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.16655043
1697,COc1ccccc1CC1CCCN(CCOc2ccc(ON=S(C)(=O)O)c(C)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.35823068
1698,COc1ccccc1CCCCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70390683
1699,COc1ccccc1OCC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73172253
1700,CSOc1ccc(OCCN2CCC(Oc3ccccc3C)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6209049
1701,Cc1cc(OCCCS(C)(=O)=O)ccc1ONCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07313826
1702,Cc1cc(OCCF)ccc1OCN1CCC(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.44776
1703,Cc1cc(OCCN2CC=C(c3ccc(F)cc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.31017244
1704,Cc1cc(OCCN2CCC(c3ccccc3S(C)(=O)=O)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.663532
1705,Cc1cc(OCCN=S(C)(=O)O)ccc1ONCC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.2222029
1706,Cc1cc(OCCNCC(=O)c2ccc(F)cc2)ccc1OS(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.062436994
1707,Cc1cc(OCCNCCCC2CNc3cc(CF)ccc3C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.30249247
1708,Cc1cc(OCCNCc2ccccc2F)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.15023547
1709,Cc1cc2c(cc1OCCc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6397775
1710,Cc1ccccc1C(=O)NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74428964
1711,Cc1nn(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1-c1ccccc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.669817
1712,N#Cc1ccccc1-c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7107478
1713,O=C(NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)c1cc(O)nc2ccccc12,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7719222
1714,O=C(NCCCCN1CCN(Cc2cccc(F)c2)CC1)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61647063
1715,O=C(NCCN1CCN([N+](=O)[O-])CC1)c1ccc(Cl)c(-c2ccc([N+](=O)[O-])cc2)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.19368142
1716,O=C(Nc1cccs1)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.41454637
1717,O=[N+]([O-])c1cc2c(cc1Br)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.536947
1718,O=c1ccccn1CCCCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6730386
1719,Oc1cc2c(cc1-c1cccc(C#Cc3ccccc3)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6618535
1720,CC(C)(C)c1nc(C(F)(F)F)cn1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67914385
1721,CC1CCN(CCN2CCN(c3ccccc3-n3ccc4cc(O)ccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7122212
1722,CCCN=Cc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68822926
1723,CCCOc1ccc(OC(=O)OC)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.016929338
1724,CCCOc1ccc(OC)c(CN2CCN(c3ccccc3SC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.83914095
1725,CCCOc1ccc(OCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.43436927
1726,CCCOc1ccc(ONC(=O)c2ccccc2OCC)c(CN2CCCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.123139195
1727,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(CCc3ccc4c(c3)NC(=O)CCC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37709275
1728,CCCOc1ccc(OOC)c(CCOc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13688104
1729,CCCOc1ccc(OOC)c(N2CCC(NC(=O)c3ccc(Cl)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19892868
1730,CCCOc1ccc(OOC)c(N2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3877216
1731,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(c3ccc(Cl)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28761178
1732,CCCOc1ccc(OS(C)(=O)=O)c(NC(C)COc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2372423
1733,CCN(C)Cc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8450863
1734,CCOc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77718467
1735,CNc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5947749
1736,COC1CCN(CCN2CCN(c3ccccc3-c3cccnc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75024444
1737,COCCCN1CCN(Cc2cccc(CNC(=O)C3(C)CCc4ccccc4S3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5726752
1738,COCCOc1ccc(OC)c(CCOc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1328017
1739,COCCOc1ccc(ON2CCCCC2COc2ccccc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38337636
1740,COc1c(SC)cccc1N1CCN(Oc2ccc(OCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31561145
1741,COc1cc2c(cc1-c1c(OC)cccc1OC)CCN1Cc3c(C=O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7106251
1742,COc1cc2c(cc1C=[N+]([O-])O)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6590715
1743,COc1cc2c(cc1CCCc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7459044
1744,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cccc4ccccc34)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69906944
1745,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)OCc4cccnc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5008501
1746,COc1cc2c(cc1OC)C1Cc3cccc(C=Cc4ccc(OC(F)(F)F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8188081
1747,COc1cc2c(cc1OC)C1Cc3cccc(Oc4cccc(C(C)O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69513613
1748,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccccc1OC([O-])(F)F,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2909075
1749,COc1ccc(OCCC(=O)Nc2cc(F)ccc2C(C)=O)cc1CN(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.021955045
1750,COc1ccc(OCCC(N)=O)cc1CN1CCC(c2cc(F)ccc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3709817
1751,COc1ccc(OCCCC2C(=O)CCc3ccc(CC(C)=O)cc32)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.16239324
1752,COc1ccc(OCCF)cc1S(=O)(=O)C1CCCN(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.3717521
1753,COc1ccc(OCCN)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.0791415
1754,COc1ccc(OCCN2CCC(F)CC2)cc1CS(=O)(=O)c1ccc(C(N)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.46328843
1755,COc1ccc(OCCNC=O)cc1N1CCCC(c2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.303736
1756,COc1ccc(OCCNS(C)(=O)=O)cc1CCC1CCc2ccccc2C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.25646704
1757,COc1ccc(OCCS(C)(=O)=O)cc1Cc1ccc(S(C)(=O)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.050750155
1758,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Oc2ccc(CC(C)C)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2844952
1759,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Oc2ccc(CC3CCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28494817
1760,COc1cccc(CN2CCN(CCCCc3c[nH]c4ccccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7487488
1761,COc1cccc(CN2CCN(CCCCc3ccc(C=Cc4ccccc4)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7233361
1762,COc1cccc(CN2CCN(CCCNC(=O)c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3551741
1763,COc1cccc(CN2CCN(CCCc3ccc(S)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6779893
1764,COc1cccc(OC)c1-c1cccc2c1CN1CCc3cc(C)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5949055
1765,COc1cccc2c1CN1CCc3cc(OCc4ccc5ccccc5c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6357162
1766,COc1ccccc1C1CCCN(CCOc2ccc(OSC)c(C)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.5229338
1767,COc1ccccc1N1CCN(CCN2CCC(c3ccnnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9043485
1768,COc1ccccc1N1CCN(CCNC(=O)c2ccc(C(=O)c3ccccc3)c(O)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.9092796
1769,CS(=O)(O)=NOc1ccc(OCCF)cc1CN1CCC(c2ccc(NC=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3237681
1770,CSOc1ccc(OCCNC(=O)COc2ccc(C)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.013549592
1771,C[N+](=O)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67711604
1772,Cc1cc(OCCCN2CCC(c3ccccc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.73961484
1773,Cc1cc(OCCF)ccc1OCN1CCN(C=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25151235
1774,Cc1cc(OCCN2CCC(Cc3ccc(F)cc3)CN2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.28174317
1775,Cc1cc(OCCN2CCC(c3ccc(F)cc3)CC2)ccc1OS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5800085
1776,Cc1cccc(OCC(=O)NCCOc2ccc(ON=S(C)(=O)O)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.021171229
1777,Cc1ccccc1N1CCN(CCN2CCC(c3cccc(C#N)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7422527
1778,Clc1cccc(CN2CCN(CCCCc3ccc(-c4ccccc4)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70688933
1779,FCCCN1CCN(Cc2cccc(Oc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69748735
1780,Fc1ccc(-c2cnc(C3CCN(CCN4CCN(c5ccccc5Cl)CC4)CC3)o2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7393728
1781,N#CC=Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6571299
1782,O=C(Cc1ccccc1)NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72705656
1783,O=C1c2ccccc2CCCN1c1cccc(CN2CCN(CCCO)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70541155
1784,OCc1cc2c(cc1CCc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6133178
1785,Oc1cc2c(cc1-c1cc3cccnc3[nH]1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53436077
1786,Oc1cccc2c1CN1CCc3cc(-c4cc(F)ccc4F)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7247837
1787,CCCC1CCCN(c2cc(OCCS(N)(=O)=O)ccc2OC)C1,[*]CCOc1ccc(O[*])c([*])c1,0.20659618
1788,CCCOc1ccc(OCCOc2ccc(F)cc2)c(C(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.052481793
1789,CCCOc1ccc(ONC=O)c(CN2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7440248
1790,CCCOc1ccc(OOS(C)(=O)=O)c(NCCc2cccs2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0622808
1791,CCOc1cccc(C2CCN(CCOc3ccc(OC)c(SC)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7326733
1792,CCc1cc2c(cc1C(=O)N(C)C)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56044126
1793,CNC(=O)CCOc1ccc(OC)c(CN2CCC(c3ccccc3F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2692833
1794,COC(=O)NCc1ccccc1-c1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46405083
1795,COC1CCN(CCN2CCN(c3ccccc3-n3cccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7164887
1796,COC1CCN(CCN2CCN(c3ccccc3N(C)C(=O)c3cc4ccccc4o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.647725
1797,COCCCN1CCN(Cc2cccc(C3Cc4ccc(F)cc4NC3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6207254
1798,COOc1ccc(OCCSCc2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.08815179
1799,COc1cc2c(cc1-c1ccc(CN(C)C)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74209064
1800,COc1cc2c(cc1-c1cccc(CF)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69260997
1801,COc1cc2c(cc1C(=O)c1ccc(Cl)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56965727
1802,COc1cc2c(cc1C)CCN1Cc3c(cccc3OC(=O)NCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.29797876
1803,COc1cc2c(cc1CNc1cccc(C)c1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4057534
1804,COc1cc2c(cc1O)CCN1Cc3c(COCc4cccc5cccc(OC)c45)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7161841
1805,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccccc3COC3CCCC3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6295342
1806,COc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(OCc5ccccc5)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61799777
1807,COc1ccc(CNCc2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5896356
1808,COc1ccc(OCCC(C)=O)cc1N1CCC(Cc2ccc3c(c2)NC(=O)CCC3)C(C)C1,[*]CCOc1ccc(O[*])c([*])c1,0.28881112
1809,COc1ccc(OCCC(C)C)cc1N1CCN(S(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19372194
1810,COc1ccc(OCCCC(C)COc2cc3c(cc2F)CNC(=O)C3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.19096366
1811,COc1ccc(OCCN)cc1N1CCCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2887762
1812,COc1ccc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1O,[*]CCOc1ccc(O[*])c([*])c1,0.6575711
1813,COc1ccc(OCCN2CCC(c3ccc(F)cc3)CC2)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.7562721
1814,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCc2cccc(CC3CCCCC3)c21,[*]CCOc1ccc(O[*])c([*])c1,0.2606074
1815,COc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1NS(=O)(=O)c1ccccc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.0138089005
1816,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1SCc1cccc(NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.023948634
1817,COc1ccc(OCCNS(C)(=O)=O)cc1NS(=O)(=O)c1ccc2c(c1)N(C)CCC2,[*]CCOc1ccc(O[*])c([*])c1,0.27375448
1818,COc1ccc(OCCS(=O)(=O)N(C)S)cc1CCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.24872503
1819,COc1ccc(OCCS(N)(=O)=O)cc1N=S(=O)(O)Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06137451
1820,COc1ccc2cc(COc3cccc4c3CN3CCc5cc(OC)c(OC)cc5C3C4)ccc2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62521327
1821,COc1ccc2nc(NCc3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)ccc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6608193
1822,COc1cccc(CCCCCN2CCN(Cc3cccc(Cl)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6984094
1823,COc1cccc(CN2CCN(CCCn3ccc4ccccc4c3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48524758
1824,COc1cccc2c1CN1CCc3cc(C(F)(F)F)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7051998
1825,COc1cccc2c1CN1CCc3cc(CNCc4cccc(O)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60526806
1826,COc1cccc2c1CN1CCc3cc(OCc4cccc(CO)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63035846
1827,COc1ccccc1CN1CCN(CCNC(=O)c2ccc(OC)c(OC)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3118965
1828,COc1ccccc1N1CCN(CCN2CCC(c3ccc(C)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8045083
1829,COc1ccccc1N1CCN(COc2ccc(OCCNC(=O)c3ccccc3)cc2C)C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.10859861
1830,COc1ccccc1Nc1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5068257
1831,CS(=O)(=O)NOc1ccc(OCCN)cc1CN1CCC(Cc2ccc3c(c2)NC(=O)CCS3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3776876
1832,CSOc1ccc(OCCN2CCC(Oc3ccc(Br)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.57093555
1833,CSOc1ccc(OCCN2CCN(c3cccc(OCC(F)(F)F)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.7031636
1834,Cc1cc(OCCCl)ccc1ONC(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.05395806
1835,Cc1cc(OCCF)ccc1ONS(=O)(=O)Cc1ccc(CC(F)(F)F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06816325
1836,Cc1cc(OCCN2CCC(Cc3ccc4ccccc4c3)CC2)ccc1OF,[*]CCOc1ccc(O[*])c([*])c1,0.5721667
1837,Cc1cc(OCCNS(=O)(=O)c2ccc(F)cc2)ccc1ONCC1CCN(C)CS1,[*]CCOc1ccc(O[*])c([*])c1,0.29738933
1838,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(Cc2ccc(OC3CCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.15998147
1839,Cc1cc(OCCS(C)(=O)=O)ccc1ONCCc1ccc2c(c1)OC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.112055145
1840,Cc1ccc(OC2CCCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.31241092
1841,ClC1CCN(CCN2CCN(c3ccccc3COc3ccc(-c4cccnc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6998279
1842,Clc1cccc(CN2CCN(CCCCN3CCOc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63115585
1843,N#Cc1ccccc1N1CCN(CCN2CCC(c3ncc(-c4ccccc4)o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77857196
1844,O=C(CCCCN1CCN(Cc2cccc(Cl)c2)CC1)N1Cc2ccccc2C1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7181565
1845,O=S(=O)(Nc1cccc(CN2CCN(CCCOC(F)(F)F)CC2)c1)c1cccs1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46713147
1846,O=S(=O)(O)c1ccc(-c2cccc(CN3CCN(CCCCl)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53418577
1847,O=S(=O)(c1cccc(CN2CCN(CCCOC(F)(F)F)CC2)c1)c1cccs1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.52578425
1848,O=S1(=O)CCc2ccccc2N1CCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.78881454
1849,O=c1ncc(F)cn1C1CCN(CCN2CCN(c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72173285
1850,Oc1cccc2c1CN1CCc3cc(Cc4ccc(F)cc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6403785
1851,CC(=O)c1ccc(CNOc2ccc(OCCNS(C)(=O)=O)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.022941414
1852,CC(C)Oc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3cccc(F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8412774
1853,CC1CCN(CCN2CCN(c3ccccc3-c3nnc(-c4ccccc4)n3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69534373
1854,CCCOc1ccc(OCCOc2cccc(F)c2)c(OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07414237
1855,CCCOc1ccc(OCNS(C)(=O)=O)c(N2CCC(c3ccco3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23217116
1856,CCCOc1ccc(OCSCC)c(N2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3282281
1857,CCCOc1ccc(ON2CCN(Cc3ccccc3OC)CC2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40311974
1858,CCCOc1ccc(OOC)c(NC(=O)Cc2ccc3c(c2)CCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.046927407
1859,CCCOc1ccc(OSC)c(-c2cccc(OC)c2CCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18474558
1860,CCNC(=O)OCc1ccc(-c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4344099
1861,CCOC(=O)N1CCN(Oc2ccc(OCCOC)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.06200482
1862,CCOCCOc1ccc(OC)c(N2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.45109448
1863,CCOc1ccccc1-c1cc(C(=O)NCCN2CCN(C)CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.23735943
1864,CCOc1ccccc1N1CCN(Cc2cc(OCCCCc3ccccc3)ccc2OOC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8082137
1865,CCc1cccc2c1CN1CCc3cc(OCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65311736
1866,CCc1ccccc1N1CCN(CCN2CCC(c3ccccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.767469
1867,CNOc1ccc(OCCCN2CCN(c3ccccc3OC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.82399154
1868,CNOc1ccc(OCCN2CCC(Oc3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.53335637
1869,COCCCN1CCN(Cc2cccc(-c3ccc4c(c3)-c3ccccc3C4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6629299
1870,COCCCN1CCN(Cc2cccc(CCN3C(=O)C(=O)c4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60303
1871,COCCCN1CCN(Cc2cccc(Cc3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6853468
1872,COCCCN1CCN(Cc2cccc(Oc3ccc4cc(O)ccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4917773
1873,COOc1ccc(OCCN2CCC(NS(=O)(=O)c3cc(F)ccc3F)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.62724924
1874,COc1cc(C(=O)NCCN2CCN(O)CC2)ccc1-c1ccc(O)o1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.17962413
1875,COc1cc2c(cc1-c1cc(CO)ccn1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56476545
1876,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3ccc(C#N)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68353313
1877,COc1cc2c(cc1OC(F)(F)CF)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.84032685
1878,COc1cc2c(cc1OCc1ccc(O)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70946443
1879,COc1ccc(OCCC(=O)Cc2ccc3c(c2)NC(=O)CC3)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.19342081
1880,COc1ccc(OCCC(=O)N2CCC(C)C2)cc1CN1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.30238956
1881,COc1ccc(OCCC2CCC(NS(=O)(=O)c3ccccc3F)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.20579508
1882,COc1ccc(OCCF)cc1N1CCCC(S(=O)(=O)c2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.18514034
1883,COc1ccc(OCCF)cc1NC(=O)c1cccc(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.038449388
1884,COc1ccc(OCCN2CCC(C)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5955704
1885,COc1ccc(OCCN2CCC(NC(C)=O)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.49082282
1886,COc1ccc(OCCN2CCC(O)(c3ccc(F)cc3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.38727456
1887,COc1ccc(OCCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1S(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.6993976
1888,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(Cc2ccc(F)cc2)C(=O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2865001
1889,COc1ccc(OCCS(=N)(=O)O)cc1N1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25797087
1890,COc1ccc(OCCS(=O)(=O)N=O)cc1N1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.22932142
1891,COc1ccc(OCCS(C)=O)cc1-c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.08872934
1892,COc1cccc(-c2cc(C(=O)NCCN3CCN([N+](=O)[O-])CC3)ccc2OC)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.24307711
1893,COc1cccc(C2CCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.69122195
1894,COc1cccc2c1CCC(=O)N2CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53894097
1895,COc1cccc2c1CN1CCc3cc(Cc4cccc(C)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69297826
1896,COc1ccccc1N1CCN(CCN2CCC(COc3ccc(-c4ccccc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.89714944
1897,COc1ccccc1N1CCN(CCOc2ccc(OSC)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.818216
1898,CS(=O)(O)=NCCOc1ccc(ONCCc2ccccc2)c(C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09622214
1899,Cc1cc(OCCCN2CCC(c3ccc(F)cc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.67481333
1900,Cc1cc(OCCF)ccc1OCNCC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.09086799
1901,Cc1cc(OCCF)ccc1ONCC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.40352994
1902,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(COc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25737587
1903,Cc1cc(OCCNC(=O)c2ccc(F)c(Cl)c2)ccc1ON1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.12069453
1904,Cc1cc(OCCNC(=O)c2cccs2)ccc1ONCC1CCNC1,[*]CCOc1ccc(O[*])c([*])c1,0.06410584
1905,Cc1cc(OCCNCc2ccccc2)ccc1ONC(=O)S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13801588
1906,Cc1cc(OCCNS(=O)(=O)c2ccc(C(C)C)cc2)ccc1OOC1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.11822991
1907,Cc1cc(OCCNS(C)(=O)=O)ccc1ONC(=O)COc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.05344228
1908,Cc1cccc(CN2CCN(CCCc3ccc4c(c3)NC(=O)C4)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6126795
1909,Cc1cccc2c1CN1CCc3cc(Cl)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59114325
1910,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(F)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.626247
1911,Cc1ccccc1N=Cc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63726497
1912,Clc1cccc(CN2CCN(CCCNc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.47446164
1913,FC(F)(F)c1ccccc1N1CCN(CCN2CCC(c3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8137455
1914,O=C(NC1CCc2ccc(O)cc2C1)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6886983
1915,O=C1COc2ccccc2N1c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5547211
1916,OCc1ccc(-c2cc3c(cc2O)CCN2Cc4c(O)cccc4CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7380352
1917,Oc1cc2c(cc1N1CCCCC1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50448674
1918,Oc1cccn1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6489046
1919,C=Cc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70415044
1920,CC(=O)NOc1ccc(OCCN2CCC(c3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5042493
1921,CC(=O)c1ccc(C(=O)NOc2ccc(OCCF)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.029546237
1922,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3ccc(F)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82138455
1923,CC1(C)CN(CCCN2CCN(Cc3cccc(Cl)c3)CC2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67398924
1924,CC1Cc2ccccc2N1C(=O)c1cccc(CN2CCN(CCCC#N)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6786992
1925,CCCOc1ccc(OC(=O)COc2ccccc2)c(CNC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.025867509
1926,CCCOc1ccc(ON2CCN(c3ccc(F)cc3)CC2)c(C(=O)OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09460134
1927,CCCOc1ccc(ON2CCN(c3ccccc3OCCF)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39917517
1928,CCCOc1ccc(OOC)c(N2CCC(CNc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32871333
1929,CCCOc1ccc(OOC)c(N2CCN(c3ccc(SC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30943906
1930,CCCOc1ccc(OOC)c(N2CCc3cc(OC)c(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33299872
1931,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(O)(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24485941
1932,CCCOc1ccc(OS(C)(=O)=O)c(NCCc2cccc3ccccc23)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08927098
1933,CCOC1CCN(CCN2CCN(c3ccccc3-n3nc(-c4ccccc4)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7209648
1934,CCOCOc1ccc(OCCN2CCN(c3ccccc3OCC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.7368575
1935,CCOc1cc2c(cc1O)CCN1Cc3c(N)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6658046
1936,CCOc1ccccc1CN1CCN(CCOc2ccc(OC)c(S(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.49471834
1937,CNc1ccc(C2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79380167
1938,COC1CCN(CCN2CCN(c3ccccc3C(=O)NCc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72243536
1939,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3cnc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6556759
1940,COCCOc1ccc(OC)c(-c2cccn2CCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19614658
1941,COCCOc1ccc(OC)c(CCN2CCC(c3ccccc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6286708
1942,COCCOc1ccc(OC)c(Cn2ccc(C=O)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08622309
1943,COCCOc1ccc(ON2CCC(CC(=O)c3ccccn3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21341
1944,COOc1ccc(OCCN2CCC(NC(=O)c3ccc(F)c(OC)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.49256235
1945,COOc1ccc(OCCNC(=O)Cc2ccc3c(c2)OC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.06167212
1946,COc1cc2c(cc1-c1ccc(N(C)C)cc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67673403
1947,COc1cc2c(cc1Cl)CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6131101
1948,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccccc4OC)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75924146
1949,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(C)c3ccc(C#N)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73722863
1950,COc1cc2c(cc1OC)C1Cc3cccc(-c4cccc(N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7216809
1951,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccccc4C#N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74394196
1952,COc1cc2c(cc1OC)C1Cc3cccc(OCc4ccc(COC(C)=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4902222
1953,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(C#N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75350773
1954,COc1ccc(C(=O)c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.542072
1955,COc1ccc(OCCF)cc1CN1CCC(C(=O)c2ccc(C(C)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4678081
1956,COc1ccc(OCCN(C)C=O)cc1CNC(=O)c1ccco1,[*]CCOc1ccc(O[*])c([*])c1,0.04040482
1957,COc1ccc(OCCN2CC(C)CC2=O)cc1NS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.14119509
1958,COc1ccc(OCCN2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1[SH](N)(=O)C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.46678513
1959,COc1ccc(OCCN=S(C)(=O)c2ccc(C(C)C)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.031564064
1960,COc1ccc(OCCS(C)=O)cc1N1CCC(COc2ccc3c(c2)NC(=O)CC3)C(C)C1,[*]CCOc1ccc(O[*])c([*])c1,0.39131558
1961,COc1cccc(CN2CCN(CCCN3CC(=O)N(c4ccccc4)C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53451866
1962,COc1cccc(COc2cc3c(cc2O)CCN2Cc4c(C#N)cccc4CC32)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65423465
1963,COc1cccc2c1CN1CCc3cc(C(=O)OCc4ccc(C)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44460693
1964,COc1cccc2c1CN1CCc3cc(OCc4cccc(F)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6128701
1965,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccno3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8609452
1966,COc1ccccc1N1CCN(CCN2CCC(c3cc(F)ccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82665354
1967,COc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4cc(Cl)no4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8918358
1968,COc1ccccc1N1CCN(CCN2CCC(c3nc4ccccc4cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83198607
1969,CS(=O)(=O)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7390972
1970,CSOc1ccc(OCCCC2CCC(=O)Nc3ccc(CC(C)=O)cc32)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.1469926
1971,C[SH](=O)(O)Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5321016
1972,Cc1cc(OCCC(=O)COc2ccc(C(F)(F)F)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.016788684
1973,Cc1cc(OCCF)ccc1OCN1CCC(Cc2ccc3ccccc3c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.41026017
1974,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.15813705
1975,Cc1cc(OCCc2ccc(F)cc2)ccc1ONOCC1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.18458615
1976,Cc1cccc2c1CN1CCc3cc(F)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6776549
1977,Cc1ccccc1N1CCN(CCN2CCC(n3cc(C(F)(F)F)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.60574186
1978,Cc1nc2ccccc2nc1C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7743952
1979,FCCOc1cccc(CN2CCN(CCCCOc3ccc4ccccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63231933
1980,Fc1cnc(-c2ccccc2N2CCN(CCN3CCC(OC(F)(F)F)CC3)CC2)nc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8091427
1981,N#Cc1ccccc1N1CCN(CCN2CCC(C(=O)NCc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7907148
1982,O=C(NCCCN1CCN(Cc2cccc(Cl)c2)CC1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49439794
1983,O=C1C=c2ccccc2=S1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.553753
1984,O=C1CN(c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)C(O)=Nc2ccccc21,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.53365403
1985,Oc1cc2c(cc1N1CCCC(O)C1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58289057
1986,Oc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(C4CCCCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52865756
1987,Oc1cccc2c1CN1CCc3cc(-c4cccs4)c(-c4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7403506
1988,CC(=O)c1ccccc1N1CCN(CCN2CCC(c3nc(O)nc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5206786
1989,CC(C)c1ccccc1N1CCN(CCN2CCC(n3cc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72462064
1990,CC1CCN(CCN2CCN(c3ccccc3OC(C)C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81680393
1991,CCCOc1ccc(OC)c(CN2CCCC(C(=O)c3ccc(SC)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15375343
1992,CCCOc1ccc(OF)c(NCC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.032971308
1993,CCCOc1ccc(ON=S(C)(=O)O)c(CCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05787129
1994,CCCOc1ccc(ONC(=O)c2ccc(F)cc2)c(CNCC2CCCN2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0972189
1995,CCCOc1ccc(OOC)c(CNCc2ccccc2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15007775
1996,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3ccc(OC4CCCC4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2867443
1997,CCOCCCN1CCN(Cc2cccc(CNC(=O)C=Cc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55155313
1998,CCOc1cc2c(cc1OC)C1Cc3cccc(Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6960511
1999,CCOc1ccc(-c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6131632
2000,CCOc1ccccc1N1CCN(CCN2CCC(Oc3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8130915
2001,CCc1cc2c(cc1CO)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5748826
2002,CCc1cc2c(cc1O)C1Cc3cccc(OCc4ccc(OC)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63960135
2003,CNC(=O)Oc1ccc(OCCN2CCN(Cc3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.2857634
2004,CNOC=Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63914496
2005,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3ccc(-c4ccccn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67661524
2006,COCCCN1CCN(Cc2cccc(CC(=O)c3nc4ccccc4s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4947111
2007,COCCOc1ccc(OC)c(N2CCN(c3cccc(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33612186
2008,COCCOc1ccc(OCNC(=O)c2cccc(N3CCN(C)CC3)c2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17091322
2009,COCc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71464014
2010,COOc1ccc(OCCN2CCCC(c3cccc(OC)c3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.57553285
2011,COc1cc2c(cc1-c1cc(CO)cc3ccccc13)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6231985
2012,COc1cc2c(cc1-c1ccc(C)s1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69005466
2013,COc1cc2c(cc1O)C1Cc3cccc(C4CC4O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7522419
2014,COc1cc2c(cc1O)C1Cc3cccc(C=CNC(C)(C)OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6397461
2015,COc1cc2c(cc1OCc1ccc(COC(C)=O)cc1)C1Cc3cccc(Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40538877
2016,COc1ccc(C(=O)NCCN2CCN(OS(C)(=O)=O)CC2)cc1-c1ccccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.25783226
2017,COc1ccc(OCCCNC(C)=O)cc1N1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22213158
2018,COc1ccc(OCCN(C)CC=O)cc1N1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.38046718
2019,COc1ccc(OCCN2CCC(CCc3ccccc3)CC2)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5862904
2020,COc1ccc(OCCN2CCC(c3ccc(Cl)cc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.7863322
2021,COc1ccc(OCCN2CCN(c3ccc(F)cc3)CC2)cc1S(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.689799
2022,COc1ccc(OCCN2CCN(c3cccc(OS(C)(=O)=O)c3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.7420815
2023,COc1ccc(OCCN=S(C)(=O)O)cc1NCCC1CCc2ccccc2C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.21401672
2024,COc1ccc(OCCNS(C)(=O)=O)cc1CN1CCC(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4032351
2025,COc1ccc(OCCS(C)(=O)=O)cc1C1CCC(CN2CCc3ccccc3C2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5161254
2026,COc1ccc2[nH]cc(C3CCN(CCN4CCN(c5ccccc5OC)CC4)CC3)c2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8450957
2027,COc1ccc2ccc(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)cc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75663537
2028,COc1cccc(CN2CCN(CCCCc3nc4ccccc4s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6771454
2029,COc1cccc(CNCc2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58387256
2030,COc1cccc(N=Cc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7481994
2031,COc1ccccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1C(=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.37840936
2032,COc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3cccnn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8061441
2033,COc1ccccc1N1CCN(CCN2CCC(c3ccnc(-c4ccc(F)cc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8519868
2034,COc1ccccc1N1CCN(CCN2CCC(n3cccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.852539
2035,COc1ccccc1N1CCN(COc2ccc(OCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.70651597
2036,CSOc1ccc(OCCNC(=O)Cc2ccc3c(c2)OC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.0526054
2037,Cc1cc(OCCN2CCC(c3cccc(S(C)(=O)=O)c3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.73499215
2038,Cc1cc(OCCN2CCN(Cc3ccc(O)o3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16964188
2039,Cc1cc(OCCNC(=O)COc2ccc3c(c2)NC(=O)CC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.052166983
2040,Clc1cccc(CN2CCN(CCCC3CCC3c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7108766
2041,FC(F)(F)c1ccccc1N1CCN(CCN2CCC(c3ncc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79432553
2042,FCCCN1CCN(Cc2cccc(CNc3cccs3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57853293
2043,N#Cc1cccc(-c2cc3c(cc2O)CCN2Cc4c(O)cccc4CC32)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6703472
2044,N#Cc1cccc2c1CN1CCc3cc(Br)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7623895
2045,O=C1C(c2cccc(CN3CCN(CCCCl)CC3)c2)=Cc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6515637
2046,O=S(=O)(Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2)c1ccc(C(F)(F)F)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32872555
2047,O=[N+]([O-])C1CCN(CCN2CCN(c3ccccc3Oc3ccc4nc(O)ccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7239115
2048,O=c1cc(CCCN2CCN(Cc3cccc(Cl)c3)CC2)c2ccccc2[nH]1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65703756
2049,O=c1oc2ccc(CCCN3CCN(Cc4cccc(Cl)c4)CC3)cc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.660126
2050,Oc1cc2c(cc1O)C1Cc3cccc(-c4ccc(F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6815443
2051,Oc1cc2c(cc1O)C1Cc3cccc(CCOc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72797465
2052,Oc1ccc(Br)nc1C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83099544
2053,Oc1ccc2ccc(OCC3CCN(CCN4CCN(c5ccccc5F)CC4)CC3)cc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66960007
2054,C#CCOc1cccc2c1CN1CCc3cc(OCc4ccccc4)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.81922364
2055,C#Cc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7586076
2056,CC(=O)NC1CCC(CCCN2CCN(Cc3cccc(C)c3)CC2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53329366
2057,CC(=O)OCc1ccc(-c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5156168
2058,CC(=O)c1ccc2c(c1)CC(C(=O)C1CCN(CCOc3ccc(ON)c(C)c3)CC1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.5246208
2059,CC1(C(=O)NCCCCN2CCN(Cc3cccc(Cl)c3)CC2)CCCC1O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5611033
2060,CC1c2ccccc2N(CCCN2CCN(Cc3cccc(F)c3)CC2)S1(=O)=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6585735
2061,CCCOc1ccc(OC#N)c(CF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.090025365
2062,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(Nc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27506858
2063,CCCOc1ccc(ONS(N)(=O)=O)c(NCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.074685246
2064,CCCOc1ccc(OOC)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.027752848
2065,CCCOc1ccc(OS(=O)(=O)N(C)C)c(C(C)COc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2152815
2066,CCCOc1ccc(OS(C)(=O)=O)c(CC(C)Cc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.250173
2067,CCCOc1ccc(OSC)c(NC2CCc3ccc(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.52089506
2068,CCCOc1ccc(O[SH](C)(=O)O)c(N2CCC(c3ccc(OC(C)C)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22280917
2069,CCNC(=O)c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6093101
2070,CCOc1ccccc1NC1CCN(CCOc2ccc(OSC)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.48611742
2071,COC(=O)NC1CCC(c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)CC1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49521425
2072,COC1CCN(CCN2CCN(c3ccccc3C(O)c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.63437164
2073,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3cc4ccccc4o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.3956787
2074,COCCOc1ccc(OC)c(CCNC(=O)c2cccc(F)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.020268517
2075,COCCOc1ccc(OC)c(NC(=O)c2cc3ccccc3o2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.023618104
2076,COc1cc2c(cc1Cc1ccccc1)CCN1Cc3c(cccc3-c3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7125865
2077,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(CC#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69272
2078,COc1cc2c(cc1O)CCN1Cc3c(Cc4cc[nH]c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7002922
2079,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccsc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76868814
2080,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)Oc3ccc(C)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5289657
2081,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(Cc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7476554
2082,COc1ccc(C(=O)NCCN2CCN(Cl)CC2)cc1-c1ccc(Cl)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30662635
2083,COc1ccc(OCCC(N)=O)cc1CCNc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.021220624
2084,COc1ccc(OCCCc2ccccc2OCC(F)(F)F)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.18824272
2085,COc1ccc(OCCF)cc1C(=O)NCc1cccc(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.041698553
2086,COc1ccc(OCCF)cc1NCC1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3221064
2087,COc1ccc(OCCN2CCCCC2)cc1S(=O)(=O)c1ccc(OC(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.21495382
2088,COc1ccc(OCCN2CCN(c3cccc(C(C)C)c3)CC2=O)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.27852803
2089,COc1ccc(OCCN=S(C)(=O)O)cc1C1(F)CCN(C(C)c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.11753873
2090,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(Oc2ccc(CC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20005512
2091,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.03254546
2092,COc1ccc(OCCNC(=O)Cc2cccs2)cc1CN1CCN(c2cccc(Cl)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25577095
2093,COc1ccc(OCCNS(C)(=O)=O)cc1-c1ccc(OCC(F)(F)F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07665525
2094,COc1ccc(OCCS(C)(=O)=O)cc1CS(=O)(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.048523426
2095,COc1ccc(OCCS(C)(=O)=O)cc1NCCC1C(=O)CCc2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.21197806
2096,COc1ccc(OCCS(N)(=O)=O)cc1N1CCCC(CCc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2533501
2097,COc1cccc(-c2cc3c(cc2O)C2Cc4cccc(CO)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7474639
2098,COc1cccc(Cc2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6420126
2099,COc1cccc(NC(=O)NC2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5602903
2100,COc1cccc2c1CN1CCc3cc(CNOCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62169623
2101,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(OCCF)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.36400717
2102,COc1ccccc1N1CCN(CCN2CCC(Oc3ccc(-c4ccc(F)cn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7744843
2103,COc1ccccc1N1CCN(CCN2CCC(c3ccon3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8908126
2104,COc1ccccc1N1CCN(CCN2CCC(c3nccc4cc(F)ccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8913337
2105,Cc1cc(C(=O)NCCN2CCN(O)CC2)ccc1-c1cccc(Cl)c1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.23950562
2106,Cc1cc(OCCCS(N)(=O)=O)ccc1ONCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06848412
2107,Cc1cc(OCCN2CCCC(CCc3cccc4c3CCC(=O)N4)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.29266307
2108,Cc1cc(OCCNC(=O)c2ccc(F)cc2)ccc1ONC(=O)C1CCNC1,[*]CCOc1ccc(O[*])c([*])c1,0.050664157
2109,Cc1cc(OCCNCCc2cccc(F)c2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.17469844
2110,Cc1cc(OCCNCc2ccc(F)cc2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.16405699
2111,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCC(Oc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25557652
2112,Cc1cc2c(cc1O)C1Cc3cccc(Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6485335
2113,Cc1ccc(CC(=O)OC2CCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.36417022
2114,FC(F)(F)c1cccc(CN2CCN(CCCCNc3ccccn3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7506499
2115,N#Cc1ccc2[nH]cc(Cc3cccc4c3CN3CCc5cc(O)c(O)cc5C3C4)c2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7027347
2116,O=C(Nc1cccc(CN2CCN(CCCF)CC2)c1)C1CCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.38069245
2117,O=C1c2ccccc2S(=O)(=O)N1SCCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5607761
2118,O=c1ccc2c(-c3cccc(CN4CCN(CCCc5ccccc5)CC4)c3)cccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.580147
2119,Oc1cc2c(cc1-c1ccc(-c3ccccc3)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71202576
2120,Oc1cc2c(cc1Cl)C1Cc3cccc(C4CCCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66161144
2121,CC(=O)N1CCc2ccc(NCCOc3ccc(OS(C)(=O)=O)c(C)c3)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.121617995
2122,CC(C)(C)c1ccccc1N1CCN(CCN2CCC(c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8090341
2123,CCCNOc1ccc(OCCN=S(C)(=O)O)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.04762532
2124,CCCOc1ccc(OC)c(CNCC(=O)c2cccc(NC(C)=O)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.012019139
2125,CCCOc1ccc(OCCOc2ccc(CCF)cc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.104764916
2126,CCCOc1ccc(ON2CCCC(c3ccccc3)C2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38541862
2127,CCCOc1ccc(ONS(C)(=O)=O)c(NC(=O)COc2ccc(C(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.006636676
2128,CCCOc1ccc(OS(C)(=O)=O)c(-c2ccccc2OCC(F)(F)F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13463935
2129,CCCOc1ccc(OS(C)(=O)=O)c(OC(=O)Cc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0344904
2130,CCCOc1ccc(OSC)c(N2CCN(Cc3ccc(C)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.524853
2131,CCOc1cccc(CN2CCN(CCCc3cc4ccccc4oc3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53437537
2132,CCOc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76341826
2133,CNC(=O)c1cc2c(cc1C)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35247576
2134,COC(=O)Nc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4093503
2135,COC(=O)c1cccc2c1CN1CCc3cc(C)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40659153
2136,COC1CCN(CCN2CCN(c3ccccc3-c3ccn(-c4ccc(F)cc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7711119
2137,COCCCN1CCN(Cc2cccc(-c3cccc(C(F)(F)F)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5991867
2138,COCCCN1CCN(Cc2cccc(-c3cnn4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56346184
2139,COCCCN1CCN(Cc2cccc(C3(c4ccccc4)CC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5332079
2140,COCCCN1CCN(Cc2cccc(N(c3ccccc3)C3CCCCC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58176386
2141,COCOc1ccc(OCCN2CCN(c3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.65514874
2142,COOc1ccc(OCCF)cc1CC(=O)Nc1ccccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.006359851
2143,COc1cc2c(cc1-c1cccc(OCc3ccccc3)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63976675
2144,COc1cc2c(cc1NC(=O)Nc1cccc3ccccc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3266874
2145,COc1cc2c(cc1O)C1Cc3cccc(CNCc4ccc5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66815966
2146,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3cccc4c(OC)cccc34)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7252238
2147,COc1cc2c(cc1OC)C1Cc3cccc(Cc4cccc(OC#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6866995
2148,COc1cc2c(cc1OC)C1Cc3cccc(Sc4ccccc4C#N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8152393
2149,COc1ccc(C(=O)NCCN2CCN(c3ccccc3C)CC2)cc1C=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.6628236
2150,COc1ccc(CC2CCN(CCOc3ccc(OOS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.5741722
2151,COc1ccc(COc2cc3c(cc2OC)C2Cc4cccc(-c5cccc(C(F)(F)F)c5)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61508125
2152,COc1ccc(OCCCCNC(=O)c2ccc(F)cc2)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7036932
2153,COc1ccc(OCCCCc2ccccc2)cc1N1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5264801
2154,COc1ccc(OCCN2CCC(NC(=O)c3ccc(C(C)C)cc3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.42341566
2155,COc1ccc(OCCN2CCNC(CCc3ccc(F)cc3)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5359521
2156,COc1ccc(OCCNCc2ccc(C(C)=O)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.121299356
2157,COc1ccc(OCCS(=O)(=O)C(F)(F)F)cc1NC(=O)COc1ccc(CF)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.008041814
2158,COc1ccc(OCCc2ccccc2OCCF)cc1C#N,[*]CCOc1ccc(O[*])c([*])c1,0.22612683
2159,COc1ccc(OCCc2cccn2Cc2ccccc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.097389564
2160,COc1cccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2O)c1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31929505
2161,COc1cccc(-c2cc(C(=O)NCCN3CCN(Cl)CC3)ccc2OC)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2834106
2162,COc1cccc(C=Cc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8216508
2163,COc1cccc(CCCN2CCN(Cc3cccc(C(=O)N4c5ccccc5CC4C)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67934334
2164,COc1cccc(CN2CCN(CCCCN=CC3Nc4cc(F)ccc4C(=O)N3c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6104816
2165,COc1ccccc1N1CCCN(CCOc2ccc(OC)c(S(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.85920185
2166,COc1ccccc1NCCOc1ccc(OS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.048267774
2167,CS(=O)(=O)c1cc(OCCF)ccc1OCN1CCN(C(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.116892464
2168,CSOc1ccc(OCCN2CCC(c3cccc(SC)c3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.56528986
2169,Cc1cc(OCCC(C)COc2ccc(F)cc2)ccc1OS(=O)(=O)C(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.03221572
2170,Cc1cc(OCCCCCCc2ccc3c(c2)CC(=O)CC3)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.19879632
2171,Cc1cc(OCCCSCc2ccc(F)cc2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1214561
2172,Cc1cc(OCCN2CCC(c3ccccc3)CC2)ccc1OS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.64811265
2173,Cc1cc(OCCNCCc2ccc3c(c2)NC(=O)CCS3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.18938957
2174,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCCC(Cc2ccc(OC3CCCC3=O)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.18258601
2175,Cc1ccccc1N1CCN(CCN2CCC(Oc3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7213922
2176,Clc1cccc(CN2CCN(CCCCCOc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7497126
2177,FCCCN1CCN(Cc2cccc(N3CCSc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7395337
2178,Fc1ccccc1N1CCN(CCN2CCC(c3cc4ccccn4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6487688
2179,Fc1ccccc1N1CCN(CCN2CCC(c3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7587706
2180,O=C(Nc1cccc(-c2cccc(CN3CCN(CCCCl)CC3)c2)c1)c1cccs1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3034528
2181,O=C(c1ccc2cc[nH]c2c1)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49258912
2182,O=C1C2CCCN2C(=O)N1c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6286699
2183,O=C1CCc2ccc(-c3ccccc3N3CCN(CCN4CCC(F)CC4)CC3)cc2N1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7529144
2184,OCc1cc2c(cc1O)CCN1Cc3c(COCc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65606713
2185,Oc1cc2c(cc1Cl)CCN1Cc3c(cccc3-c3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6324617
2186,Oc1cc2c(cc1O)C1Cc3cccc(OCc4ccc[nH]4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7648436
2187,Oc1cc2ccccc2n1-c1ccccc1N1CCN(CCN2CCC(O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70598114
2188,CC1Cc2ccccc2N1C(=O)c1cccc(CN2CCN(CCCc3ccc(Cl)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7154009
2189,CCC(=O)c1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5974202
2190,CCCOc1ccc(OC(=O)OC)c(N2CCC(Nc3cccc(F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14668114
2191,CCCOc1ccc(ON2CCC(C)C(CC)C2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38133335
2192,CCCOc1ccc(ONC(=O)CCc2ccccn2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.025180671
2193,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3cc(C)ccc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2115848
2194,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC3C=C(C=Cc4cc(F)ccc4C2)C3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3475622
2195,CCCOc1ccc(OS(N)(=O)=O)c(NCc2ccc(OCC(F)(F)F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.063821144
2196,CCOc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6992717
2197,CCOc1ccccc1NCCOc1ccc(OOC)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.044131182
2198,CCS(=O)(=O)Oc1cc2c(cc1-c1cccs1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73365724
2199,CN1CCN(CCNC(=O)c2ccc(C=O)c(-c3ccccc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31054202
2200,COC(=O)NCc1ccc(-c2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4634925
2201,COC(=O)c1cc(OCCN2Cc3ccccc3CC2C)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.21460713
2202,COC(=O)c1ccc(F)c(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69530964
2203,COC(=O)c1cccc2c1CN1CCc3cc(O)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5859964
2204,COC1CCN(CCN2CCN(c3ccccc3-c3cc(-c4ccccc4)ccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83306205
2205,COC1CCN(CCN2CCN(c3ccccc3-c3cc4cc(O)ccc4nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69072604
2206,COC1CCN(CCN2CCN(c3ccccc3COc3ccc(-c4ccccn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72575414
2207,COCCCN1CCN(Cc2cccc(NC(=O)c3cc4ccccc4s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.33268082
2208,COCCCN1CCN(Cc2cccc(NC(=O)c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.32222468
2209,COCCCN1CCN(Cc2cccc(Oc3ccc4c(c3)CCC(=O)N4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5743003
2210,COCCOc1ccc(OCN2CCN(c3ccccc3C(F)(F)F)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6286271
2211,COOc1ccc(OCCN2CCN(CCc3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.46420437
2212,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1cccc([N+](=O)[O-])c1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.18927294
2213,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1cccc([N+](=O)[O-])n1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.19966942
2214,COc1cc2c(cc1O)C1Cc3cccc(N4CCCC(OCc5ccccc5)C4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48730493
2215,COc1cc2c(cc1O)CCN1Cc3c(cccc3OC3CC3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8235077
2216,COc1cc2c(cc1OC)C1Cc3cccc(CCNC(=O)C(C)(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48501053
2217,COc1ccc(-c2cc(C(=O)NCCN3CCN(OC)CC3)ccc2O)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26365048
2218,COc1ccc(CC2CCCN(Oc3ccc(OCCN=S(C)(=O)O)cc3C)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.1314943
2219,COc1ccc(OCCC(O)CCc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.22392282
2220,COc1ccc(OCCCn2cccc2)cc1NS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.08894507
2221,COc1ccc(OCCF)cc1CN1CCN(C(C)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.14879972
2222,COc1ccc(OCCF)cc1CNCc1cccc(NS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08789887
2223,COc1ccc(OCCN)cc1CCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.2949713
2224,COc1ccc(OCCN2CCC(CCc3ccc(F)cc3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.66658485
2225,COc1ccc(OCCN2CCCC(Cc3ccc(F)cc3)C2)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4553465
2226,COc1ccc(OCCN2CCCC(Cc3ccc4ccccc4c3)C2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.4088001
2227,COc1ccc(OCCN2CCN(Cc3ccccc3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.58560336
2228,COc1ccc(OCCNS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.0795193
2229,COc1ccc(OCCS(=O)(=O)O)cc1N1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25904804
2230,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Cc2cc3c(cc2C)CCC(=O)N3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27510715
2231,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(COc2ccc3c(c2)NC(=O)CC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.34575292
2232,COc1ccc2c(c1)C(c1cccc(CN3CCN(CCCCl)CC3)c1)CCC2,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6717408
2233,COc1ccc2nc(O)cc(C3CCN(CCN4CCN(c5ccccc5Cl)CC4)CC3)c2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7891892
2234,COc1cccc(-c2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67255855
2235,COc1cccc(CN2CCN(CCCc3ccc(C=O)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.554668
2236,COc1cccc(COc2ccc(OCCCNCc3ccccc3)cc2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2986674
2237,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(OC(C)=O)CC2)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29441357
2238,COc1ccccc1C(=O)C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7417693
2239,COc1ccccc1CCCN1CCN(Cc2cccc(OC(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55739707
2240,COc1ccccc1CN1CCN(CCCOc2ccc(OF)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5478786
2241,COc1ccccc1N1CCN(CCN2CCC(c3ccc4nc(O)ccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8526103
2242,Cc1cc(OCCCCCc2ccc3c(c2)CCC(=O)N3)ccc1ON1CCN(C)SS(=O)(=O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.28358585
2243,Cc1ccc(CCCN2CCN(Cc3cccc(OC(F)(F)F)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4193344
2244,Cc1cccc(CN2CCN(CCCc3nc(-c4ccccc4)cs3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46005252
2245,Cc1ccccc1-c1cc2c(cc1O)CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5500308
2246,Cc1ccccc1N1CCN(CCN2CCC(COc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6982908
2247,Cc1ccccc1N1CCN(CCN2CCC(c3nc(-c4ccc(F)cc4)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6408415
2248,O=C(Oc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2)c1c[nH]c2ccccc12,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45431048
2249,O=C1CCc2ccc(F)cc2N1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.71315217
2250,OC(=NCc1cccc(CN2CCN(CCCCl)CC2)c1)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.648112
2251,Oc1cc(-c2ccccc2)nn1C1CCN(CCN2CCN(c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5923656
2252,c1ccc(CCCN2CCN(Cc3cccc(COc4ccccc4)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6391284
2253,C#Cc1ccccc1Cc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7293865
2254,C=S(=O)(O)NOc1ccc(OCCF)cc1N1CCC(CC2CCSC2)=CC=C2C=CC(CC1)O2,[*]CCOc1ccc(O[*])c([*])c1,0.19160052
2255,CC(C)OC1CCN(CCN2CCN(c3ccccc3-c3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80752945
2256,CC1CCN(CCN2CCN(c3ccccc3C(O)c3cc4ccccc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72033095
2257,CCCCN1CCN(Cc2cccc(-c3cccc(NC)n3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.50237393
2258,CCCCN1CCN(Cc2cccc(CN3CCc4ccccc4C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.740122
2259,CCCCc1cccc(CCOc2ccc(OC)c(CN3CCN(c4ccc(Cl)cc4)CC3)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7180659
2260,CCCOc1ccc(OCCN2CCc3ccccc3C2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.62835944
2261,CCCOc1ccc(OCF)c(N2CCN(C(=O)c3ccc(OC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07185375
2262,CCCOc1ccc(ONCCc2ccccc2C)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05671282
2263,CCCOc1ccc(ONS(C)(=O)=O)c(NC2CCC(Oc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18598326
2264,CCCOc1ccc(OS(C)(=O)=O)c(C(C)N2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3898371
2265,CCCOc1ccc(OS(C)(=O)=O)c(CCOc2ccc3c(c2)NC(=O)CO3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.124741785
2266,CCNC(=O)OCc1ccc(Cc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4772497
2267,CCOc1cccc(-c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52894807
2268,CCc1ccccc1C1CCN(CCOc2ccc(OC)c(S(C)(=O)=O)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.5625404
2269,CNc1cc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.5766305
2270,COC1CCN(CCN2CCN(c3ccccc3-c3cc4cc(F)ccc4n3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78111154
2271,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4c(O)nc5ccccc5c4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77227294
2272,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4ccc(O)nc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7062191
2273,COCCCN1CCN(Cc2cccc(-c3cccc4c3C(NC(C)=O)CC4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5640299
2274,COCCCN1CCN(Cc2cccc(C3CCc4ccc(N)cc4C3O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59410167
2275,COOc1ccc(OCCCN2CCN(C(=O)c3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.33525103
2276,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccccn1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32806852
2277,COc1cc2c(cc1C#CCc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6749482
2278,COc1cc2c(cc1O)C1Cc3cccc(Cc4cccc5c(OC)cccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74348116
2279,COc1cc2c(cc1O)C1Cc3cccc(NC(=O)NCc4ccccc4C#N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36878344
2280,COc1cc2c(cc1O)C1Cc3cccc(OC(=O)Nc4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36546683
2281,COc1cc2c(cc1OC(=O)NCc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44153565
2282,COc1cc2c(cc1OC(C)C)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.764098
2283,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)OCc4cccc([N+](F)F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46609765
2284,COc1cc2c(cc1OC)C1Cc3cccc(C[N+](=O)c4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63153136
2285,COc1cc2c(cc1OC)C1Cc3cccc([O-])c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74472326
2286,COc1ccc(OCCCF)cc1CN1CCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8061397
2287,COc1ccc(OCCF)cc1S(=O)(=O)Cc1ccc(C(=O)NS(C)(=O)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.03686954
2288,COc1ccc(OCCN2CCC(Oc3ccc4c(c3)NC(=O)CCS4)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5420977
2289,COc1ccc(OCCN2CCCC2Cc2ccc(F)c(NS(C)(=O)=O)c2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.29773808
2290,COc1ccc(OCCN=S(O)(O)=CC=O)cc1N1CCCC(Cc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.17034854
2291,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.033135682
2292,COc1ccc(OCCNS(=O)(=O)c2ccc(F)cc2)cc1C(=O)NSC,[*]CCOc1ccc(O[*])c([*])c1,0.030525604
2293,COc1ccc(OCCNS(=O)(=O)c2ccc(F)cc2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.05346422
2294,COc1ccc(OCCSC)cc1NS(=O)(=O)Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.060018703
2295,COc1cccc(CN2CCN(CCCC3OCCc4cc(C(N)=O)ccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5554314
2296,COc1cccc2c1CN1CCc3cc(C)c(C#Cc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7550404
2297,COc1cccc2c1CN1CCc3cc(C=O)c(C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6246733
2298,COc1cccc2c1CN1CCc3cc(O)c(Oc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6992433
2299,COc1ccccc1C=Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7414115
2300,COc1ccccc1N(C(C)=O)C1CCN(CCN2CCN(c3ccccc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6097105
2301,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cccc(-c4ccnc(O)c4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7638911
2302,COc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3cccc(F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7924928
2303,COc1ccccc1N1CCN(CCN2CCC(n3ccc(O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83968
2304,CSOc1ccc(OCCNCc2cccs2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.13076283
2305,Cc1cc(OCCC(C)COc2ccccc2)ccc1ON=CN1CCC(Oc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.34468353
2306,Cc1cc(OCCC(C)Cc2ccc3c(c2)CCOC3=O)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13649349
2307,Cc1cc(OCCCF)ccc1ONS(=O)(=O)c1ccccc1CN,[*]CCOc1ccc(O[*])c([*])c1,0.08339357
2308,Cc1cc(OCCN=S(C)(=O)O)ccc1ONCCc1ccccc1OC1CCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.084194385
2309,Cc1cc(OCCNC(=O)Cc2ccc(C=O)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.030071406
2310,Cc1cc(OCCNCc2cccnc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.13283575
2311,Cc1cc(OCCNS(=O)(=O)Cc2ccc(C3CCCNC3)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.08625797
2312,Cc1cccc(-c2cc(C(=O)NCCN3CCN(F)CC3)ccc2O)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31271252
2313,Cc1cccc2c1CN1CCc3cc(Cc4ccc(C#N)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57634
2314,Cc1ccccc1N1CCN(CCN2CCC(c3cc4ccccn4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6556876
2315,O=C(Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2)c1ccc[nH]1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34735367
2316,O=C(Nc1cccc(CN2CCN(CCCCl)CC2)c1)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3296177
2317,O=S(=O)(Nc1cccc(CN2CCN(CCCCl)CC2)c1)c1cccc2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.45357314
2318,O=c1c2ccccc2ccn1-c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57313913
2319,O=c1cc(-c2cccc(CN3CCN(CCCCl)CC3)c2)c2ccccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6193474
2320,CC(=O)NOc1ccc(OCCN2CCN(CCc3ccc(F)cc3)C2=O)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.16964628
2321,CC(=O)c1ccc(S(=O)(=O)NOc2ccc(OCCF)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.022675749
2322,CC(C)c1ccccc1N1CCN(CCN2CCC(c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7697785
2323,CC1C(=O)N(CCCN2CCN(Cc3cccc(Cl)c3)CC2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5650106
2324,CC1CCN(CCN2CCN(c3ccccc3-n3nc(-c4ccccc4)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7288377
2325,CCCOc1ccc(OCS(C)(=O)=O)c(NC(=O)COc2cccc(F)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.022559209
2326,CCCOc1ccc(ON)c(N2CCC(c3cc(F)ccc3NC(C)=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14332576
2327,CCCOc1ccc(ON2CCC(Cc3ccc4c(c3)NCC(=O)CC4)CC2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38733527
2328,CCCOc1ccc(ON2CCN(C)CC2)c(NC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17394365
2329,CCCOc1ccc(ON2CCN(c3ccc(Cl)cc3)CC2)c(OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3111051
2330,CCCOc1ccc(ONCCc2ccccc2)c(C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.122816406
2331,CCCc1ccc2ccc(OCCc3cc(OCCS(C)(=O)=O)ccc3OC)cc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.07916128
2332,CCN1CCCC(CCOc2ccc(OC)c(S(C)(=O)=O)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.32096153
2333,CCOC1CCc2cc(CC(=O)NCCOc3ccc(ONS(C)(=O)=O)c(C)c3)ccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.13798724
2334,CCOc1ccccc1-c1cc(OCCN=S(C)(=O)O)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.04686611
2335,CCc1cc2c(cc1C)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6596285
2336,CCc1cccc2c1CN1CCc3cc(-c4ccccc4)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7377752
2337,CN=S(=O)(O)CCOc1ccc(OC)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.036033984
2338,CNCCOc1ccc(OC)c(CNc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12787639
2339,CNSOc1ccc(OCCCCCc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.2305509
2340,COC1CCN(CCN2CCN(c3ccccc3-c3c(O)nc4ccccc4c3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66801995
2341,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3nccc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.47236112
2342,COC=Cc1ccc(-c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7121998
2343,COCCCN1CCN(Cc2cccc(-c3ccccc3-c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6173979
2344,COCCOc1ccc(OC)c(N2CCN(c3ccc(F)c(F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2689004
2345,CON1CCN(CCNC(=O)c2ccc(Cl)c(COc3ccccc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3869296
2346,COc1cc2c(cc1C(=O)NCc1ccc([N+](=O)[O-])cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3985177
2347,COc1cc2c(cc1Cl)CCN1Cc3c(cccc3-c3cccc([N+](=O)[O-])c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3995008
2348,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccccc3C)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5936274
2349,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)Nc4cccc(C)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.2970565
2350,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccccc1S(C)(=O)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3425241
2351,COc1ccc(CC(=O)NOc2ccc(OCCF)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.018486435
2352,COc1ccc(OCCC(=O)CCc2ccccc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.042709734
2353,COc1ccc(OCCC=O)cc1N1CCN(c2ccccc2OCCF)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.38103738
2354,COc1ccc(OCCCNC(C)=O)cc1CF,[*]CCOc1ccc(O[*])c([*])c1,0.060079847
2355,COc1ccc(OCCCNC(C)=O)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.06874742
2356,COc1ccc(OCCN2CCC(C(=O)c3ccc(S(C)(=O)=O)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.48762062
2357,COc1ccc(OCCN2CCC(Oc3ccc4c(c3)NC(=O)CC4)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6636547
2358,COc1ccc(OCCN2CCN(c3ccc(C(C)=O)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.593756
2359,COc1ccc(OCCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.8809437
2360,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.13104378
2361,COc1ccc(OCCS(C)(=O)=O)cc1C(F)Cc1ccc(NC(C)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.020318732
2362,COc1ccc2c(c1)CCOC2CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5891941
2363,COc1cccc(C2CCN(CCCOc3ccc(OC)c(S(C)(=O)=O)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7429234
2364,COc1cccc(CN2CCN(CCCCn3ccc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7110582
2365,COc1cccc(CN2CCN(CCCc3cccc4oc(=O)cc-4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5817865
2366,COc1ccccc1CCCCN1CCN(Cc2cccc(C(C)=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.558265
2367,COc1ccccc1Cc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7300454
2368,COc1ccccc1N1CCN(CCN2CCC(c3ccccc3C#N)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8134044
2369,COc1ccccc1N1CCN(CCNC(=O)c2ccc(C(N)=O)c(C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.88760746
2370,COc1ccccc1Nc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30162695
2371,CSOc1ccc(OCCN2CCC(Oc3ccc4c(c3)CCC(=O)NC4)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5912046
2372,CSOc1ccc(OCCN2CCC(c3ccccc3C)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.599968
2373,Cc1cc(OCCN2CCC(C(=O)N3CCCc4ccccc43)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.44475704
2374,Cc1cc(OCCNCC2CC(=O)c3ccccc3C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.1379868
2375,Cc1ccc(OCC(C)Oc2ccc(OCCN=S(C)(=O)O)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.053706285
2376,ClCCCN1CCN(Cc2cccc(-c3cccc(Cl)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70046407
2377,Clc1cccc(CN2CCN(CCCC3OCCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6600698
2378,FC(F)(F)c1cccc(CN2CCN(CCCCc3nc4ccccc4s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.711909
2379,Fc1ccc(OCC2CCN(CCN3CCN(c4ccccc4F)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7605489
2380,O=C(CCCN1CCN(Cc2cccc(F)c2)CC1)c1nc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66294503
2381,O=C(NCCN1CCN(F)CC1)c1ccc(Cl)c(-c2ccccc2)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.4454646
2382,O=C1CCc2ccccc2N1CCCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.80141115
2383,O=C1c2ccccc2C[SH]1(=O)CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6952098
2384,O=[N+]([O-])CCCN1CCN(Cc2cccc(-c3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55502605
2385,O=c1c(CCCN2CCN(Cc3cccc(Cl)c3)CC2)c1-c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6180228
2386,Oc1cc2c(cc1-c1ccc3cccc(O)c3c1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6081763
2387,Oc1cc2c(cc1C(F)(F)F)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63807666
2388,Oc1cccc2c1CCC(CCCN1CCN(Cc3cccc(Cl)c3)CC1)O2,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6725621
2389,C#Cc1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6677415
2390,C=Cc1ccccc1OC1CCN(CCCOc2ccc(OC)c(SC)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.65843767
2391,CC(C)(C)OC(=O)NCCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4066467
2392,CCCOc1ccc(OC)c(CNCC(=O)c2ccc3scc(S(C)(=O)=O)c3c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.025079362
2393,CCCOc1ccc(ON2CCC(c3ccccc3F)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.43833914
2394,CCCOc1ccc(ON2CCC(c3ccccc3OC)CC2)c(OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4322325
2395,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCC(Oc3ccccc3CC3CCCCC3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30816138
2396,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCCC(Cc3ccc(OC4CCCC4)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22245581
2397,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(Cc3cccc4cc(F)ccc34)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23345128
2398,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC2COc2ccc3c(c2)CCCC(=O)N3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31931365
2399,CCCOc1ccc(OSC)c(N2CCCC(COc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40034077
2400,CCCOc1ccc(OSC)c(NC(=O)COc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.007694502
2401,CCN1c2ccccc2N(C(=O)CCCN2CCN(Cc3cccc(C)c3)CC2)C1C,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51571614
2402,CCOc1ccccc1N1CCN(CCN2CCC(c3cnc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8269927
2403,CNOc1ccc(OCCNC(=O)CCc2ccc3c(c2)CC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.035359025
2404,COC(=O)CN1CCN(Cc2cc(OCCc3ccc(OCC(F)(F)F)cc3)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22518915
2405,COC1CCN(CCN2CCN(c3ccccc3-c3nc(O)cc4cc(O)ccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70727664
2406,COC1CCN(CCN2CCN(c3ccccc3-c3nc(O)ccc3-c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6909227
2407,COC1CCN(CCN2CCN(c3ccccc3-n3cc(C)c(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6649027
2408,COC1CCN(CCN2CCN(c3ccccc3CC(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73291934
2409,COCCCN1CCN(Cc2cccc(-c3ccsc3N=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5096764
2410,COCc1cc(OCCCCCc2ccc3c(c2)NC(=O)CC3)ccc1OSC,[*]CCOc1ccc(O[*])c([*])c1,0.2642753
2411,COCc1cccc2c1CN1CCc3cc(O)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78387994
2412,COc1cc2c(cc1-c1ccc(O)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6879729
2413,COc1cc2c(cc1Cl)C1Cc3cccc(C(=O)OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50345945
2414,COc1cc2c(cc1NC(=O)c1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.33083248
2415,COc1cc2c(cc1O)C1Cc3cccc(-c4cc([N+](=O)[O-])ccc4CO)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49774167
2416,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(F)cc4F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73632157
2417,COc1cc2c(cc1O)CCN1Cc3c(CNc4ccc(C#N)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48383176
2418,COc1cc2c(cc1O)CCN1Cc3c(cccc3OC(=O)NCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4023345
2419,COc1cc2c(cc1OC)C1Cc3cccc(OCc4ccc(C(O)(F)F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6781157
2420,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccccc1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35606167
2421,COc1ccc(CNc2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42100063
2422,COc1ccc(OCCCS(=O)(=O)c2cccc(C(C)=O)c2)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.03539406
2423,COc1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.58604693
2424,COc1ccc(OCCS(C)(=O)=O)cc1CN1CCC(c2ccc(C)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.49642664
2425,COc1ccc(OCCS(C)(=O)=O)cc1N1C(=O)CCc2ccc(OCC3CCC3)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.2278034
2426,COc1ccc(OCCSCc2ccc(F)cc2)cc1S(=O)(=O)N(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.09399938
2427,COc1cccc(NC2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7077937
2428,COc1cccc2c1CN1CCc3cc(C#N)c(-c4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6934879
2429,COc1cccc2c1CN1CCc3cc(C(=O)Cc4ccccc4)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44047657
2430,COc1cccc2c1CN1CCc3cc(Cc4ccccc4F)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7425305
2431,COc1ccccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1CO,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.37005737
2432,CS(=O)(=O)c1cccc(CN2CCN(CCCSc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5293976
2433,CSc1cc(CCC(=O)NCCOc2ccc(ONS(C)(=O)=O)c(C)c2)cc2c1CCC(=O)N2,[*]CCOc1ccc(O[*])c([*])c1,0.02088101
2434,Cc1cc(OCCCCCOc2ccc(F)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.09097933
2435,Cc1cc(OCCCS(=O)(=O)c2ccc(CC3CCCCC3)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09628905
2436,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(Cc2ccc3c(c2)CCC(=O)N3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20660812
2437,Cc1ccc(OCC(=O)NCCOc2ccc(ON=S(C)(=O)O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.009020484
2438,Clc1cccc(CN2CCN(CCCC3CC(c4ccccc4)=N3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62918025
2439,FC(F)(F)OC1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84043837
2440,FC(F)(F)c1cccc(CN2CCN(CCCc3nc4ccccc4s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59488636
2441,FCCOCCCN1CCN(Cc2cccc(Oc3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6720153
2442,Fc1ccc(-c2ncccc2-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77988946
2443,N#Cc1ccc(NCc2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46742052
2444,Nc1ccccc1-c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63876754
2445,O=C(CCCCCN1CCN(Cc2cccc(Cl)c2)CC1)NC1Cc2ccccc2C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5621845
2446,O=C(Nc1ccccc1Br)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34720945
2447,O=C(c1ccc(F)cc1)C1CCN(CCN2CCN(c3ccccc3SC(O)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70406663
2448,O=C1C=CN(c2cccc(CN3CCN(CCCF)CC3)c2)C(=O)C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6777321
2449,O=S(=O)(c1ccc(F)cc1)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6355698
2450,O=[N+]([O-])c1cccc(CNc2cccc3c2CN2CCc4cc(Cl)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34416848
2451,OCc1ccnc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57671237
2452,Oc1cc2c(cc1Oc1cccnc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6323201
2453,CC(=O)NCCOc1ccc(OC=CCOc2ccccc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.024781572
2454,CC(=O)OOc1ccc(OCCNCCc2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.09395506
2455,CC(=O)c1ccc(COC2CCN(CCOc3ccc(ON)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.5362731
2456,CC(=O)c1ccc(F)cc1SCCCOc1ccc(ON2CCN(C)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17285857
2457,CC(C)=NOc1cccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57076454
2458,CCCCOc1ccc(OS(N)(=O)=O)c(N2CCC(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2791664
2459,CCCOC1CCc2ccc(CC(=O)NCCOc3ccc(OSC)c(C)c3)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.106406115
2460,CCCOc1ccc(OCN)c(N2CCCN(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29646152
2461,CCCOc1ccc(ONS(C)(=O)=O)c(CN2CCC(c3ccccc3OC3CC3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.56270564
2462,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(CCc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31723166
2463,CCCOc1ccc(OO)c(N2CCC(Cc3ccc4c(c3)NC(=O)CCC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3371191
2464,CCCOc1ccc(OS(=O)(=O)[O-])c(N2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25530732
2465,CCCOc1ccc(OS(C)(=O)=O)c(-c2ccc(N)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06586545
2466,CCCOc1ccc(OS(C)(=O)=O)c(Cc2ccc(C3(C)CNCC3=O)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10807698
2467,CCOC1CCN(CCN2CCN(c3ccccc3Oc3ccc4c(c3)NC(=O)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81242967
2468,CCOc1cc2c(cc1OCc1cccs1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7078083
2469,CCOc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cccs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.802955
2470,CCOc1ccccc1N1CCN(CCN2CCC(c3ccc([O-])cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8498586
2471,CCOc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccc4)c(O)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78656983
2472,CCc1ccc(OC2CCN(Oc3ccc(OCCNS(C)(=O)=O)cc3C)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.2098667
2473,CCc1ccccc1C1CCN(CCOc2ccc(OC)c(OC)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.71424884
2474,CNCCOc1ccc(ONCC(O)=Cc2ccccc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06366919
2475,COCCOc1ccc(OC)c(C(=O)COc2ccc3c(c2)CCC(=O)C3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14138198
2476,COCCOc1ccc(OCN2CCN(c3ccc(Cl)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5189358
2477,COCc1cc2c(cc1C(=O)OC)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48849946
2478,CON1CCN(CCNC(=O)c2ccc(O)c(-c3ccc(C)cc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.16647464
2479,COOc1ccc(OCCN2CCN(c3ccccc3OCC(C)C)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.76382947
2480,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccccc1OC(C)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30556485
2481,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(CO[O-])cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5994539
2482,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)NCc4ccncc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4382516
2483,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)c4ccc(CO)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5527376
2484,COc1cc2c(cc1OC)C1Cc3cccc(CN4CCCCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54018706
2485,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(cccc3C(C)O)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65575683
2486,COc1cc2c(cc1OS(=O)(=O)C(F)(F)F)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7250104
2487,COc1ccc(OCCC(=O)COc2ccc(C(C)C)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.034390382
2488,COc1ccc(OCCCNC(C)=O)cc1CN1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3691182
2489,COc1ccc(OCCCc2ccc(OCC(F)(F)F)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.087345965
2490,COc1ccc(OCCF)cc1NS(=O)(=O)c1ccccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.093104385
2491,COc1ccc(OCCN2CCC(F)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5557104
2492,COc1ccc(OCCN2CCCC(Cc3cccc(F)c3)C2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.5740841
2493,COc1ccc(OCCNC(=O)Cc2ccc(S(N)(=O)=O)cc2F)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.026665239
2494,COc1ccc(OCCOS(C)(=O)=O)cc1C(C)COc1ccc2c(c1)CCC(=O)N2,[*]CCOc1ccc(O[*])c([*])c1,0.16317242
2495,COc1ccc(OCCSC)cc1CNCC1CCc2cc(OC)c(OC)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.41649872
2496,COc1cccc(CC(=O)NCCOc2ccc(OC)c(NS(C)(=O)=O)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.015978111
2497,COc1cccc(CN2CCN(CCCc3ccc4ccccc(=O)c4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5724382
2498,COc1cccc(CN2CCN(CCCc3cccc4c3C(=O)C(=O)N4)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53528464
2499,COc1cccc(CN2CCN(CCCc3nc4ccccc4s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.573468
2500,COc1cccc(F)c1-c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.85165435
2501,COc1cccc(NC(=O)Nc2ccccc2N2CCN(CCN3CCC(C)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.3876723
2502,COc1ccccc1C1CCN(CCOc2ccc(ONS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6652957
2503,COc1ccccc1CNC(=O)c1ccccc1N1CCN(CCN2CCC(C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.63659686
2504,COc1ccccc1N1CCN(CCN2CCC(Cc3ccc4nc(O)ccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83207184
2505,COc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccccc4)n(C)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8017558
2506,CSOc1ccc(OCCN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.06431741
2507,CSOc1ccc(OCCNc2ccccc2S(C)(=O)=O)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.028640993
2508,Cc1cc(OCCC2(C(=O)c3ccc(F)cc3)CCCNC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.056695316
2509,Cc1cc(OCCCCc2ccccc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.094074465
2510,Cc1cc(OCCNCCCc2ccc3c(c2)NC(=O)CC3)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.2766378
2511,Cc1cc(OCCNS(=O)(=O)c2ccc(F)cc2)ccc1ON1CCNC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.13537759
2512,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCC(Cc2ccc(OC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.17746387
2513,Cc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1cccc2nc(O)oc12,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.18848567
2514,Cc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3ccncc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5915424
2515,Cc1cn(C2CCN(CCN3CCN(c4ccccc4F)CC3)CC2)c(O)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5945511
2516,Fc1ccc(OCCCN2CCN(Cc3cccc(F)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6810206
2517,Nc1ccc(C(=O)C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7757992
2518,Nc1ccc(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)nc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7942386
2519,O=C1c2ccccc2CCC1c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.73248154
2520,Oc1cccc2c1CN1CCc3cc(-c4ccc(OC(F)(F)F)cc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7323892
2521,C#Cc1cc2c(cc1OC)C1Cc3cccc(Oc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6739137
2522,C#Cc1ccccc1N1CCN(CCN2CCC(c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85261106
2523,CC1CCN(CCN2CCN(c3ccccc3Oc3ccc4ncc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6087107
2524,CCCOc1ccc(OC)c(NC2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27810913
2525,CCCOc1ccc(OCN2CCN(c3ccccc3OC)CC2)c(C(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.72649425
2526,CCCOc1ccc(OF)c(CN2CCN(CC(=O)OC(C)(C)C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26886478
2527,CCCOc1ccc(ON2CCC(Nc3ccc(F)cc3)CC2)c(C(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1460392
2528,CCCOc1ccc(ON2CCC(c3ccccc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3846942
2529,CCCOc1ccc(ON2CCN(C(=O)OCC)CC2)c(CCNc2ccc(C(F)(F)F)cn2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06418783
2530,CCCOc1ccc(ON2CCN(Cc3ccccc3OCC)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5394548
2531,CCCOc1ccc(ONC)c(N2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36194128
2532,CCCOc1ccc(OS(C)(=O)=O)c(C2CCN(Cc3ccc4c(c3)CCC(=O)N4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.43051577
2533,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)Cc2ccc(C)nc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0049407906
2534,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)Cc2ccc3c(c2)CC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.064453766
2535,CCCc1cc2c(cc1OC)C1Cc3cccc(OCc4ccc(OC)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7584569
2536,CCCc1cc2c(cc1OCc1ccc(OC)cc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7211929
2537,CCCc1ccn(Cc2cc(OCCCCF)ccc2OOC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13394943
2538,CCN(Cc1ccccc1)C(=O)c1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57658964
2539,CCOc1ccc(C2CCCN(Oc3ccc(OCCOS(C)(=O)=O)cc3C)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.1992606
2540,CCc1ccccc1N1CCN(CCN2CCC(n3cc(F)cnc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7423606
2541,CN=S(=O)(O)CCOc1ccc(OC)c(CN2CCN(C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32882068
2542,CNC(=O)c1ccc(S(C)(=O)=Nc2cc(OCCCF)ccc2OC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.025720809
2543,CNSOc1ccc(OCCNCC(=O)c2ccc(SC)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.04369217
2544,COC1CCN(CCN2CCN(c3ccccc3N3CCCCC3c3cc(Br)ccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.56822616
2545,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc(O)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72161746
2546,CON1CCN(CCNC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)c(C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.1397766
2547,CON1CCN(CCNC(=O)c2ccc(Br)c(-c3ccccc3[N+](=O)[O-])c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33283785
2548,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccc(O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7451807
2549,COc1cc2c(cc1O)CCN1Cc3c(cccc3O[N+](=O)c3cccc(C#N)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64761496
2550,COc1cc2c(cc1[N+](N)=O)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6204533
2551,COc1ccc(-c2cc(C(=O)NCCN3CCN(OC)CC3)ccc2Br)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3049525
2552,COc1ccc(CN(C)C(=O)c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.522213
2553,COc1ccc(CNOc2ccc(OCCOS(C)(=O)=O)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.056730893
2554,COc1ccc(OCCC(=O)COc2ccc(C)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.023671808
2555,COc1ccc(OCCCN2CCC(Cc3ccccc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.56739056
2556,COc1ccc(OCCN2CCC(CCCc3ccc(F)cc3)CC2)cc1C=O,[*]CCOc1ccc(O[*])c([*])c1,0.67416734
2557,COc1ccc(OCCN2CCC(c3ccccc3)CC2)cc1C(=O)SC,[*]CCOc1ccc(O[*])c([*])c1,0.6010033
2558,COc1ccc(OCCN=S(C)(=O)O)cc1CCCc1cccc2c1CNC(=O)C2,[*]CCOc1ccc(O[*])c([*])c1,0.19544251
2559,COc1ccc(OCCNC(=O)Cc2ccc3c(c2)NC(=O)CC3)cc1OC(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.061980903
2560,COc1ccc(OCCNCC2CCC(c3ccccc3OC)C2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.09080891
2561,COc1ccc(OCCSC)cc1CCCC(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.11821665
2562,COc1ccc(OCC[SH](C)(N)=O)cc1N1CCC(Cc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.33593118
2563,COc1cccc(CN2CCN(CCCC3(C)CNc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55201733
2564,COc1cccc(CN2CCN(CCCC3CN(C(C)=O)c4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.45334566
2565,COc1cccc(CN2CCN(CCCOc3ccc4nc(O)ccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5784303
2566,COc1cccc2c1CCCC(CNCCOc1ccc(OOS(C)(=O)=O)c(C)c1)C2,[*]CCOc1ccc(O[*])c([*])c1,0.28562003
2567,COc1ccccc1N1CCN(CCN2CCC(c3cc(-c4cccc(Cl)c4)ccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78653103
2568,COc1ccccc1N1CCN(CCN2CCC(c3nc(-c4ccc(F)cc4)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8267812
2569,COc1ccccc1N1CCN(CCN2CCC(n3c(O)cc4cc(O)ccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81366926
2570,COc1ccccc1SCCOc1ccc(OCCF)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.1331676
2571,Cc1cc(OCCCS(N)(=O)=O)ccc1OCCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.21649331
2572,Cc1cc(OCCN2CCOCC2Cc2ccc3c(c2)NC(=O)CC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.28783438
2573,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19979228
2574,Cc1cc(OCCNC(=O)CCc2ccc3c(c2)OC(=O)CC3)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.05120652
2575,Cc1cc(OCCNC(=O)c2ccc(F)cc2)ccc1ON1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.08720592
2576,Cc1cc(OCCOS(=O)(=O)C(F)(F)F)ccc1OCCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.21231607
2577,Cc1ccccc1N1CCN(CCN2CCC(C(=O)c3cc(F)ccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5807002
2578,Cc1ccccc1N1CCN(CCN2CCC(c3cc4cc(O)ccc4nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5981058
2579,FCCOc1cccc(CN2CCN(CCCCc3ccc4ccccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6970964
2580,O=[N+]([O-])Oc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5408164
2581,O=[N+]([O-])c1cccc([N+](=O)c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49178728
2582,Oc1cc2c(cc1C=[N+](O)c1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68968475
2583,Oc1cc2c(cc1OCc1ccc[nH]1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65017265
2584,Oc1ccc(-c2ccc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)cc2)nc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68769675
2585,Oc1cccc(CN2CCN(CCCc3ccc(Cl)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70649904
2586,Oc1cccn1Cc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59748065
2587,[N+]CCc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79111075
2588,C=CCONc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60215306
2589,CCCOc1ccc(OC(=O)O)c(NCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.041259956
2590,CCCOc1ccc(OCCOc2ccccc2C(C)C)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13369924
2591,CCCOc1ccc(ON)c(N2CCN(c3cccc(C(C)C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.315075
2592,CCCOc1ccc(ON2CCC(C(=O)c3cc(F)ccc3OCC)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19363518
2593,CCCOc1ccc(ON2CCC(c3cccc(OC)c3)CC2)c(OC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1728384
2594,CCCOc1ccc(ON2CCC(c3ccccc3CC)CC2)c([N+](=O)[O-])c1,[*]CCOc1ccc(O[*])c([*])c1,0.27062383
2595,CCCOc1ccc(ON2CCN(CCc3ccccc3)CC2)c(C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.51268506
2596,CCCOc1ccc(ON=S(C)(=O)O)c(C2CCC(COc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2971128
2597,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(c3ccc(OC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19452865
2598,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCCC(c3ccc(C)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11595233
2599,CCCOc1ccc(ONC(C)=O)c(N2CCCC(c3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17465965
2600,CCCOc1ccc(ONC=O)c(CC(=O)Nc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.008936394
2601,CCCOc1ccc(OOC)c(N2CCCC(Oc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.319411
2602,CCCOc1ccc(OS(N)(=O)=O)c(CCOc2ccc3c(c2)CCC(=O)N3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21819441
2603,COC(=O)c1cc2c(cc1O)C1Cc3cccc(OCc4ccc(OC)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5110296
2604,COC1CCN(CCN2CCN(c3ccccc3-n3c(O)cc4cccnc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6099932
2605,COCCCN1CCN(Cc2cccc(-c3ccc4oc(S)nc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5786428
2606,COCCCN1CCN(Cc2cccc(CNC(=O)C3(c4ccccc4)CC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.43467906
2607,CON=CC1CCN(CCN2CCN(c3ccccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8910213
2608,COOc1ccc(OCCN2CCC(c3ccc(OS(C)(=O)=O)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6178891
2609,COc1cc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)ccc1Br,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.97023576
2610,COc1cc2c(cc1-c1ccccc1OCc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6350665
2611,COc1cc2c(cc1C=Nc1cccc(C#N)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63643044
2612,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(COC5CCCCN5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6342487
2613,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc([N+](=O)[O-])cc4COC(C)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.37952867
2614,COc1cc2c(cc1O)C1Cc3cccc(-c4cccc(COC(C)=O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5178528
2615,COc1cc2c(cc1O)C1Cc3cccc(Cn4ccc(C)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71283865
2616,COc1cc2c(cc1OC)C1Cc3cccc(C=Cc4ccc5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6924044
2617,COc1cc2c(cc1ON(C)C)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8104536
2618,COc1ccc(OCCC(=O)Cc2ccc(F)cc2)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.024717467
2619,COc1ccc(OCCCCc2cccc(F)c2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10269308
2620,COc1ccc(OCCN(C)C)cc1CN1CCCC(Oc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.5673384
2621,COc1ccc(OCCN2CCN(c3ccc(SC)c(C(C)=O)c3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.5617563
2622,COc1ccc(OCCNC(C)=O)cc1N1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21214455
2623,COc1ccc(OCCO)cc1N1CCN(c2cccc(C(F)(F)F)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.35828832
2624,COc1ccc(OCCS(C)(=O)=O)cc1-c1ccccc1OCCF,[*]CCOc1ccc(O[*])c([*])c1,0.09121035
2625,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(Cc2ccc(OC3CCCCS3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2732779
2626,COc1ccc(OCCSC)cc1CN1CCN(Cc2cccc(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.49319756
2627,COc1cccc(CN2CCN(CCCCN3CCSc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72958857
2628,COc1cccc2c1CN1CCc3cc(-c4cc(Cl)ccc4Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6575881
2629,COc1cccc2c1CN1CCc3cc(CN4CCCC4=O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.37989867
2630,COc1ccccc1-c1cc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.95625293
2631,COc1ccccc1N1CCN(CCN2CCC(Oc3ccc4ccnn4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8132341
2632,COc1ccccc1N1CCN(CCN2CCC(c3ccnc(Br)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8391697
2633,COc1ccccc1N1CCN(CCN2CCC(n3ccc(O)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75170004
2634,CS(=O)(=O)c1ccccc1N1CCN(CCN2CCC(c3nccc4cc(F)ccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77212405
2635,CSc1ccc(OC2CCN(CCOc3ccc(ON=COS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.4307386
2636,Cc1cc(OCCC=Cc2ccc(F)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.07439566
2637,Cc1cc(OCCN2CCN(CCc3ccc(F)cc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.34131718
2638,Cc1cc(OCCN=S(C)(=O)O)ccc1OCCCc1ccc(C2CCN(C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.30541402
2639,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(Cc2ccc(C3CCCN3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20157813
2640,Cc1ccc(-c2cc(C(=O)NCCN3CCN(O)CC3)ccc2[N+](=O)[O-])cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.11082579
2641,Cc1ncc(-c2ccccc2)nc1C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7219307
2642,ClCCCN1CCN(Cc2cccc(Cc3cccc(-c4cccs4)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6554618
2643,Fc1ccc(-c2cccc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)n2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7613094
2644,Fc1ccc(-c2cnnc(C3CCN(CCN4CCN(c5ccccc5C(F)(F)F)CC4)CC3)c2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7648612
2645,Fc1cccc(CN2CCN(CCCCc3coc(-c4ccccc4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6483937
2646,O=C(NCCCCN1CCN(Cc2cccc(Cl)c2)CC1)c1ccccc1C1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60466594
2647,O=C(NCc1cccc(CN2CCN(CCCOC(F)(F)F)CC2)c1)Nc1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3049932
2648,O=C(Nc1cccc(Cl)c1)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34007826
2649,O=[N+]([O-])c1ccccc1N1CCN(CCN2CCC(Cc3ccc4nccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.49250722
2650,O=[N+]([O-])c1ccccc1N1CCN(CCN2CCC(n3ccc(-c4ccccc4)c3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5815946
2651,Oc1cc2c(cc1C=Nc1cccc(Cl)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.620816
2652,Oc1cc2c(cc1Cc1ccc(F)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7298047
2653,Oc1cc2c(cc1OCc1ccc3cc[nH]c3c1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61223185
2654,CC(=O)NC1CCc2ccc(CC(=O)CCOc3ccc(ON)c(C)c3)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.2724819
2655,CC(=O)c1cccc(C2CCN(CCOc3ccc(ON=S(C)(=O)O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.55619454
2656,CC(C)c1ccccc1N1CCN(CCN2CCC(c3cc(F)ccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.702346
2657,CCCCc1cccc(OC)c1CCOc1ccc(OC)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6688953
2658,CCCOc1ccc(OC)c(CN2CCCN(c3cccc(Cl)c3Cl)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7533482
2659,CCCOc1ccc(OCNS(C)(=O)=O)c(-c2cccc3cc(C(=O)NC)ccc23)c1,[*]CCOc1ccc(O[*])c([*])c1,0.037028946
2660,CCCOc1ccc(OCO)c(NCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07810182
2661,CCCOc1ccc(OF)c(N2CC=C(C(=O)OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18412855
2662,CCCOc1ccc(ON2CCC(c3ccccc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4771291
2663,CCCOc1ccc(OS(N)(=O)=O)c(NCCc2cccc3cc(F)ccc23)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10557966
2664,CCCOc1ccc(O[SH](C)(N)=O)c(N2CCCC(Cc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2289373
2665,CCNc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5763835
2666,CCOCCCN1CCN(Cc2cccc(C3CCCc4cc(OC)ccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55638015
2667,CCOc1ccc(C2CCCN(Oc3ccc(OCCS(C)(=O)=O)cc3C)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.20580077
2668,CCOc1ccccc1N1CCN(CCOc2ccc(OC)c(CSC)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7567429
2669,COC1CCN(CCN2CCN(c3ccccc3-c3cccc4cc(O)ncc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72827816
2670,COC1CCN(CCN2CCN(c3ccccc3CNCCc3cc(O)nc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65932304
2671,COCCCN1CCN(Cc2cccc(-c3ccc4[nH]ccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5968952
2672,COCCOc1ccc(OC)c(NC(=O)COc2ccccc2N2CCCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13157082
2673,COCc1ccc(Cc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6474928
2674,COOc1ccc(OCCCOc2cccc(F)c2)cc1CCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.18898623
2675,COc1cc2c(cc1C)C1Cc3cccc(-c4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5609363
2676,COc1cc2c(cc1Cc1ccsc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.82693213
2677,COc1cc2c(cc1O)CCN1Cc3c(COc4ccc(C(F)(F)F)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79593295
2678,COc1cc2c(cc1O)CCN1Cc3c(Cc4c[nH]c5c(CO)cccc45)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72023344
2679,COc1cc2c(cc1OC)C1Cc3cccc(CN)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.85422134
2680,COc1cc2c(cc1OC)C1Cc3cccc(OCc4ccc(C(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.706009
2681,COc1cc2c(cc1OCc1cccc(N(C)C)c1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6986733
2682,COc1ccc(-c2cccc3c2CN2CCc4cc(OC(C)=O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.490361
2683,COc1ccc(OCCC(=O)C2CCCN2)cc1NS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.09468189
2684,COc1ccc(OCCC(O)COc2ccc3c(c2)NC(=O)CC3)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.19927531
2685,COc1ccc(OCCN(C)C)cc1N1CCCC(c2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.437567
2686,COc1ccc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1NS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.55420333
2687,COc1ccc(OCCN2CCC(Cc3ccc(F)cc3)CC2)cc1C(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.55402523
2688,COc1ccc(OCCN=S(C)(=O)O)cc1C(=O)Cc1ccc(C2COCCN2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.14473769
2689,COc1ccc(OCCN=S(C)(=O)O)cc1C=Cc1ccccc1OC1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.14350298
2690,COc1ccc(OCCN=S(C)(=O)O)cc1N1CC2CCCCC2CC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.103194095
2691,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCS1(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.17954147
2692,COc1ccc(OCCN=S(C)(=O)O)cc1NCCc1ccc2c(c1)OC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.18232809
2693,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1CN1CCN(C=S(C)(=O)O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.08249042
2694,COc1ccc(OCCNC(C)=O)cc1N1CCC(c2ccccc2OC2CC2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23778442
2695,COc1ccc(OCCNS(=O)(=O)c2cc(F)ccc2OC)cc1N(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08905519
2696,COc1ccc(OCCOS(C)(=O)=O)cc1N1CCCC(CCc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.302223
2697,COc1ccc(OCCS(C)(=O)=O)cc1CN1CCC(c2ccccc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5066684
2698,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(CCc2ccc(F)cn2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.29412317
2699,COc1ccc2c(c1)CCN(C1CCN(CCN3CCN(c4ccccc4C)CC3)CC1)C2=O,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6940329
2700,COc1cccc(C#Cc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8410825
2701,COc1cccc(CN2CCN(CCCC(=O)C3CCCCC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4957569
2702,COc1cccc2c1CN1CCc3cc(NC(C)=O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38303453
2703,COc1ccccc1N1CCN(CCN2CCC(NCc3cccs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8395077
2704,COc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3ccc4ccc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7677558
2705,COc1ccccc1N1CCN(CCN2CCC(c3cn(-c4ccc(F)cc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8010899
2706,Cc1cc(OCCN2CC(=O)CC(Cc3ccc(F)cc3)C2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.25703895
2707,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCCC(CCc2ccc3c(c2)NC(=O)CC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.25978273
2708,Cc1cc(OCCNC(=O)Cc2ccc(F)cc2)ccc1ON1CCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.042890053
2709,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCCC(COc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2544456
2710,Cc1cc(OCCNS(C)(=O)=O)ccc1ONS(=O)(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.053092383
2711,Cc1ccc(-c2cc3c(cc2O)CCN2Cc4c(O)cccc4CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6872637
2712,Fc1ccccc1N1CCN(CCN2CCC(c3c(F)cccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70463306
2713,O=C(c1ccc(F)cc1)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74774295
2714,O=C1CCCCN1CCCCN1CCN(Cc2cccc(OC(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.37888736
2715,O=[N+](O)c1cccc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59792405
2716,O=[SH](O)=CC1Cc2ccccc2N1CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6303771
2717,Oc1coc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65452754
2718,C=S(=O)(O)NOc1ccc(OCCNCc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.23329291
2719,CC(=O)NCCOc1ccc(ON2CCC(Cc3ccccc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10336936
2720,CC(=O)c1ccc(CCOc2ccc(OS(C)(=O)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.026962887
2721,CC1Cc2ccccc2N1c1cccc(CN2CCN(CCCC(C)(C)C)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6542222
2722,CCCOc1ccc(OCN)c(N2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38441622
2723,CCCOc1ccc(OCNS(C)(=O)=O)c(CN2CCC(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.49569386
2724,CCCOc1ccc(ON)c(N2CC=C(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5122077
2725,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.311228
2726,CCCOc1ccc(OOC)c(N2CCC=Cc3c(OCCF)ccn3CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35609296
2727,CCCOc1ccc(OS(C)(=O)=O)c(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13041998
2728,CCCOc1ccc(OS(C)(=O)=O)c(NC(C)COc2ccc3c(c2)NC(=O)CCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22270755
2729,CCOc1cccc2c1CN1CCc3cc(OCc4ccc(OC)cc4)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76770175
2730,CCc1cccc(COc2cc3c(cc2OC)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7528436
2731,CCc1ccccc1S(=O)(=O)NCCOc1ccc(OC)c(NS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10434294
2732,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3cccc(C#N)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4854886
2733,COCCCN1CCN(Cc2cccc(-c3cc4ccccc4cc3O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.630806
2734,COCCOc1ccc(OC)c(CN2CCN(c3cccc(C(C)C)n3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.57705694
2735,COCCOc1ccc(ON2CCN(c3cccc(C(C)C)n3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24532884
2736,COOc1ccc(OCCN2CC(Cc3ccc(F)cc3)CCO2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.22885367
2737,COOc1ccc(OCCNC(=O)Cc2cccc(C)c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.015921501
2738,COOc1ccc(OCCc2ccc(F)cc2)cc1CN1CCCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.69005543
2739,COc1cc2c(cc1C(=O)N(C)Cc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5360833
2740,COc1cc2c(cc1CN[N+](=O)c1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62473553
2741,COc1cc2c(cc1O)C1Cc3cccc(-c4cccc(OCc5ccccc5)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54361963
2742,COc1cc2c(cc1O)CCN1Cc3c(CNCc4ccccn4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6485953
2743,COc1cc2c(cc1OC(C)=O)C1Cc3cccc(-c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48095906
2744,COc1cc2c(cc1OC)C1Cc3cccc(CCNCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66314167
2745,COc1ccc(-c2cc3c(cc2F)CCN2Cc4c(O)cccc4CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7935763
2746,COc1ccc(C(=O)NCCN2CCN(c3ccccc3[O-])CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.76599467
2747,COc1ccc(OCCC(C)=O)cc1CCOc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.030178433
2748,COc1ccc(OCCCN)cc1-c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.15306026
2749,COc1ccc(OCCCc2ccc(F)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1042674
2750,COc1ccc(OCCF)cc1OC1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2789482
2751,COc1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.63739234
2752,COc1ccc(OCCN2CCCC(Cc3ccc(F)cc3)C2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.5345355
2753,COc1ccc(OCCNS(C)(=O)=O)cc1C(F)CCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.18626967
2754,COc1ccc(OCCS(C)(=O)=O)cc1CCCc1ccc(OC2CCC(=O)NC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.18794212
2755,COc1ccc(OCCS(C)(=O)=O)cc1Cc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.10299861
2756,COc1ccc(OCCS(C)(=O)=O)cc1NS(=O)(=O)c1cccc2ccccc12,[*]CCOc1ccc(O[*])c([*])c1,0.084611334
2757,COc1ccc(OCCS(N)(=O)=O)cc1NCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.083324514
2758,COc1ccc(OCC[SH](C)(=O)O)cc1N1CCCC(c2ccc(CC(F)(F)F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.24155255
2759,COc1cccc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7710641
2760,COc1cccc(CN2CCN(CCCCNC(=O)C=Cc3ccc4ccccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5943709
2761,COc1cccc(CN2CCN(CCCCNc3ccc(-c4ccccc4)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.543093
2762,COc1cccc(COc2cccc3c2CN2CCc4cc(O)c(C)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5222365
2763,COc1cccc(O)c1Cc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7722775
2764,COc1cccc2c1CN1CCc3cc(C)c(Cc4cccc(C#N)c4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57312226
2765,COc1cccc2c1CN1CCc3cc(Cc4ccc(OCc5ccccc5)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6299655
2766,COc1ccccc1CN1CCC(NCCOc2ccc(ON=S(C)(=O)O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3198207
2767,COc1ccccc1N1CCN(CCCOc2ccc(ON)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.9141955
2768,COc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccc(O)nc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83978724
2769,CSc1ccc(CC2CCN(COc3ccc(OCCNC(C)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.21798033
2770,Cc1cc(OCCN2CCC(Oc3ccc(CC4CCCCC4)cc3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.54739493
2771,Cc1cc(OCCN2CCC(c3ccc(OC4CCCCC4)cc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6188757
2772,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)CCC(=O)N3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.061281655
2773,Cc1cc(OCCNCC(C)Cc2ccccc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.12213206
2774,Cc1cc(OCCNCCCC2CC3=C2NC=C(F)C=C3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.17895105
2775,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27894673
2776,FCCCN1CCN(Cc2cccc(-c3ccc(-c4ccccn4)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5911074
2777,N#Cc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cc4ccccn4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79858524
2778,O=C(Nc1cccc(CCCN2CCN(Cc3cccc(Cl)c3)CC2)c1)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3384684
2779,O=C(O)c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5548532
2780,O=C1c2ccccc2CN1c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68960243
2781,O=S(=O)(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1cc(F)ccc1F,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.550917
2782,O=S1(=O)Cc2ccccc2N1c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65425897
2783,OC1CCN(CCN2CCN(c3ccccc3-c3ccc(F)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7811934
2784,Oc1ccc2ccn(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)c2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.638846
2785,CC(=O)Oc1cccc(CN2CCN(CCCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4529279
2786,CC(=O)c1cc(C(=O)NCCN2CCN(C)CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.16839711
2787,CC(=O)c1ccccc1S(=O)(=O)NCCOc1ccc(ONCC2CCCCN2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07483899
2788,CC(C)c1ccccc1N1CCN(CCN2CCC(Oc3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7409569
2789,CC1CCN(CCN2CCN(c3ccccc3-n3cc(-c4ccc(Cl)cc4)nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72933793
2790,CCCCN1CCN(Cc2cccc(-c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61820036
2791,CCCCN1CCN(Cc2cccc(Cc3cnc(-c4ccccc4)o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.52062166
2792,CCCOc1ccc(OCN2C=CN(C(C)=O)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11293008
2793,CCCOc1ccc(ON2CCC(C(=O)O)CC2)c(C(C)Cc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1655906
2794,CCCOc1ccc(OS(C)(=O)=O)c(N(C)CCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17809036
2795,CCCOc1ccc(OS(C)(=O)=O)c(OC2CCC(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17558776
2796,CCCOc1ccc(OS(N)(=O)=O)c(N2CCN(CC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4931019
2797,CCCOc1ccc(Oc2ccc(OCC3CCCNC3)cc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26065144
2798,CCOc1cccc2c1CCCC2OCCOc1ccc(OS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23100491
2799,CCOc1ccccc1N1CCCN(CCOc2ccc(OC(=O)OC)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4507383
2800,CCc1cc(OCCF)ccc1OCN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7428374
2801,CN(C)c1ccc(C=Cc2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68446493
2802,CN(CC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)C1CCc2ccc(O)cc2C1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67631775
2803,COC1CCN(CCN2CCN(c3ccccc3-c3cc(-c4ccccn4)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75530237
2804,COC1CCN(CCN2CCN(c3ccccc3C(F)c3ccc(O)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6346203
2805,COCCCN1CCN(Cc2cccc(-c3cc(-c4ccccc4)cs3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5856251
2806,COCCCN1CCN(Cc2cccc(-c3cc4ccccc4cc3C(N)=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4781081
2807,COCCCN1CCN(Cc2cccc(Oc3cccc4cccnc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5200314
2808,CONc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6805927
2809,COc1cc2c(cc1O)C1Cc3cccc(C(=O)CCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56931454
2810,COc1cc2c(cc1O)CCN1Cc3c(CNCc4ccc(C)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53431404
2811,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(N)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7300793
2812,COc1cc2c(cc1OC)C(CNOc1ccc(OCCF)cc1C)C(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.24526013
2813,COc1ccc(-c2cccc3c2CN2CCc4cc(-c5cccc(CO)c5)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57656676
2814,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccc(C)o1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.1677414
2815,COc1ccc(OCCC(C)Cc2ccc3c(c2)NC(=O)CC3)cc1NC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09983069
2816,COc1ccc(OCCC2(F)CCN(C(=O)c3ccccc3C)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10073297
2817,COc1ccc(OCCN(C)C)cc1N1CCN(c2ccc(C(C)C)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29953954
2818,COc1ccc(OCCN2CCN(CCc3ccccc3)CC2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.48516366
2819,COc1ccc(OCCN2CCN(c3ccccc3OC(C)C)CC2)cc1O,[*]CCOc1ccc(O[*])c([*])c1,0.93970203
2820,COc1ccc(OCCNCCc2cccc3c2CCC(=O)C3)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.27566767
2821,COc1ccc(OCCS(C)(=O)=O)cc1-c1c(OCC2CCCC2)ccc2c1CCC(=O)C2,[*]CCOc1ccc(O[*])c([*])c1,0.23668233
2822,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(COc2ccc(C3CCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2856094
2823,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(Cc2ccc(OC3CCNC(=O)C3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.22882731
2824,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC1Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.3011223
2825,COc1ccc(OCCS(N)=O)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.06352781
2826,COc1ccc2ccnc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)c2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8046111
2827,COc1cccc(CN2CCN(CCCN3CCCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72234505
2828,COc1cccc(NC2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8195838
2829,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(OC)CC2)cc1F,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.37861082
2830,COc1ccccc1N1CCN(CCN2CCC(C3=Nc4ccccoc(cc4)C=C3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6352302
2831,COc1ccccc1N1CCN(CCN2CCC(c3cnc4cc(F)ccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85270196
2832,COc1ccccc1N1CCN(CCN2CCC(c3nc(-c4ccc(F)cc4)cs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80498856
2833,Cc1cc(OCCC(O)CCc2ccc3c(c2)NC(=O)CC3)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.15560007
2834,Cc1cc(OCCF)ccc1OCN1CCC(Cc2cccs2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4303957
2835,Cc1cc(OCCN2CCC(NS(=O)(=O)c3ccc(F)c(F)c3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.6089493
2836,Cc1cc(OCCN=S(C)(=O)O)ccc1OCN1CCN(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.32155362
2837,Cc1cc(OCCNCC2C(=O)CCc3ccc(CCC(=O)O)cc32)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.12819579
2838,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(CCc2ccc3c(c2)NC(=O)CCC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31093958
2839,Cc1cccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2[N+](=O)[O-])c1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.23576616
2840,Cc1cccc(CN2CCN(CCCCNc3cccs3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6044137
2841,ClCCCN1CCN(Cc2cccc(-c3ccccc3Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65207124
2842,N#Cc1cc(F)ccc1-c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68168586
2843,O=C1CCc2ccccc2N1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.8119735
2844,O=C1c2ccccc2C(=O)N1Cc1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54613346
2845,O=S(=O)(Nc1cccc(CN2CCN(CCCOC(F)(F)F)CC2)c1)c1ccc(OC(F)(F)F)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.45754817
2846,O=S1(=O)C=C(c2cccc(CN3CCN(CCCCl)CC3)c2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6695221
2847,OCc1cccc2c1CN1CCc3cc(Cc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78557736
2848,CC(=O)c1cccc(C2CCCN(Oc3ccc(OCCN=S(C)(=O)O)cc3C)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12229487
2849,CCCOc1ccc(OCN2CC=C(C(=O)O)CC2)c(-c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30219892
2850,CCCOc1ccc(OCN2CCN(c3ccccc3OCC)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.71146667
2851,CCCOc1ccc(OCO)c(N2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2738649
2852,CCCOc1ccc(OSC)c(N2CCC(Oc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3597772
2853,CCCc1cccc2c1CN1CCc3cc(OC)c(C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72864884
2854,CCN(C)Cc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.83743525
2855,CCOc1ccccc1CN1CCN(CCCOc2ccc(OC)c(OC)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5951754
2856,CCOc1ccccc1N1CCN(CCN2CCC(c3ccc4oc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72615623
2857,CN1CCN(COc2ccc(OCCF)cc2OS(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.32073778
2858,CNC(=O)CCOc1ccc(OC)c(CC(=O)Nc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.00749068
2859,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(N(C)C)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7903576
2860,COCCCN1CCN(Cc2cccc(C3CCCc4c(cccc4OC)C3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.733535
2861,COCCCN1CCN(Cc2cccc(CNC(=O)c3cc4ccccc4cc3OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.41572985
2862,COCCCN1CCN(Cc2cccc(CSCc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5700071
2863,COCCOc1ccc(OC)c(CN2CCN(C(F)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40436167
2864,COCCOc1ccc(OC)c(CN2CCN(c3ccc(F)cc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.67166436
2865,COOc1ccc(OCCNCCc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.20317818
2866,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccccc1OCCF,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33671415
2867,COc1cc(C(C)C)ccc1NS(=O)(=O)Oc1ccc(OCCF)cc1CN1CCCC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.12997608
2868,COc1cc2c(cc1-c1cccc(N(C)C)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7419399
2869,COc1cc2c(cc1N[SH](C)(=O)c1ccc(CO)cc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.501495
2870,COc1cc2c(cc1O)C1Cc3cccc(-c4cccc(N(C)C)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7000608
2871,COc1cc2c(cc1O)C1Cc3cccc(-c4cccc([O-])c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62136376
2872,COc1cc2c(cc1O)C1Cc3cccc(C(=O)N(C)CCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57104206
2873,COc1cc2c(cc1O)C1Cc3cccc(CNc4cccc(C)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52802527
2874,COc1cc2c(cc1O)CCN1Cc3c(cccc3NC(=O)OCc3ccc(C)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.23601374
2875,COc1cc2c(cc1OC)C1Cc3cccc(-c4cc(COc5ccccc5)ccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5326788
2876,COc1cc2c(cc1OC)C1Cc3cccc(CN(C)Cc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8000991
2877,COc1cc2c(cc1Oc1cccc3ccccc13)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72605443
2878,COc1ccc(OCCCCOc2ccc3c(c2)NC(=O)CS3)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.12404051
2879,COc1ccc(OCCCN=S(C)(=O)O)cc1N1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.20354573
2880,COc1ccc(OCCCOC(C)=O)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.053427473
2881,COc1ccc(OCCCS(N)(=O)=O)cc1CCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.25460237
2882,COc1ccc(OCCCc2ccccc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.112966925
2883,COc1ccc(OCCN(C)S(C)(=O)=O)cc1NC(C)COc1ccc2ccc(SC)cc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.11362064
2884,COc1ccc(OCCN2CCC(F)C(=O)C2c2ccc(F)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4798537
2885,COc1ccc(OCCN2CCC(F)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5361734
2886,COc1ccc(OCCN2CCC(c3ccccc3)CC2)cc1SC=O,[*]CCOc1ccc(O[*])c([*])c1,0.66939616
2887,COc1ccc(OCCN=S(C)(=O)O)cc1N1CC2CCCCC(CC2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.18076247
2888,COc1ccc(OCCOC2CCCCN2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13574503
2889,COc1cccc(-c2ccccc2N2CCN(CCN3CCC(C#N)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84655005
2890,COc1cccc(CN2CCN(CCCC(=O)N3c4ccccc4CCC3C)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6624382
2891,COc1cccc(CN2CCN(CCCCNCc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65227884
2892,COc1cccc(CN2CCN(CCC[SH]3(=O)Cc4ccccc4C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66359985
2893,COc1cccc2c1CN1CCc3cc(O)c(CO)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6661878
2894,Cc1cc(OCCC(=O)COc2ccc(F)cc2)ccc1OCN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.1766795
2895,Cc1cc(OCCC(=O)COc2ccc3c(c2)NC(=O)CC3)ccc1OC(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13296846
2896,Cc1cc(OCCN2CCC(Cc3ccc(F)cc3)C2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.47773775
2897,Cc1cc(OCCN2CCC(c3ccccc3OC3CCC3)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.54657584
2898,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(Cc2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18370757
2899,Cc1cc(OCCNC(=O)Cc2cccc(C3CCNCC3)c2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.03459588
2900,Cc1ccc(C(=O)NCCN2CCN(C)CC2)cc1CCN1C(=O)c2ccccc2C1=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.22565696
2901,Cc1ccccc1N1CCN(CCN2CCC(c3cocn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66967
2902,Cc1ccccc1N1CCN(CCN2CCC(c3nnc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6600472
2903,Cc1ccccc1OCC(=O)NCCOc1ccc(ON=S(C)(=O)O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.01821217
2904,ClC1CCN(CCN2CCN(c3ccccc3-c3nnc(-c4ccccc4)o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7986292
2905,FCCCN1CCN(Cc2cccc(-c3ccccc3F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7321638
2906,O=C(Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)Nc1cccc(Cl)c1Cl,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38851875
2907,O=C(c1cnc2ccccc2n1)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69814456
2908,O=S(=O)(Nc1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.44375545
2909,O=c1ccc2cc(OCCCN3CCN(Cc4cccc(F)c4)CC3)ccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65030605
2910,O=c1ccc2ccccc2c(=O)n1-c1cccc(CN2CCN(CCCO)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55794555
2911,OC1CCN(CCN2CCN(c3ccccc3-n3cc(-c4ccccc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7213422
2912,C=Cc1cccc2c1CN1CCc3cc(Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73478955
2913,C=Cc1cccc2c1CN1CCc3cc(OC)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6919251
2914,C=S(O)Oc1ccc(OCCC)cc1N1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.28035855
2915,CC(=O)C1CCCCN1CCOc1ccc(ONS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16176948
2916,CC(C)OC1CCN(CCN2CCN(c3ccccc3-c3ccc(O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7448499
2917,CC(C)OC1CCN(CCN2CCN(c3ccccc3N3CCN(c4cccc(Cl)c4)C3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7433712
2918,CC(C)Oc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8311859
2919,CCC(=O)c1ncccc1-c1cc(OCCOC)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.030194359
2920,CCCOc1ccc(OOC)c(N2CCC(c3coc4cc(F)ccc34)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3424206
2921,CCCOc1ccc(OS(N)(=O)=O)c(CC(=O)Nc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.006964642
2922,CCCOc1ccc(OS(N)(=O)=O)c(NCC2CCc3cc(OC)c(OCC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35960686
2923,CCN(Cc1ccccc1)Cc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7387123
2924,CCOc1ccccc1N1CCN(Cc2cc(OCCN=S(C)(=O)O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6332784
2925,COC(=O)CCOc1ccc(OC)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6661522
2926,COC1CCN(CCN2CCN(c3ccccc3-c3nc4ccccc4n3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6965851
2927,COC1CCN(CCN2CCN(c3ccccc3N3CCN(c4ccccc4)C3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71002007
2928,COCCCN1CCN(Cc2cccc(-c3ccc(Cl)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59172046
2929,COCCCN1CCN(Cc2cccc(-c3ccc4c(c3)NC(=O)C(C)(C)O4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.45785186
2930,COCCCN1CCN(Cc2cccc(-c3nc4ccccc4s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5553831
2931,COCCCN1CCN(Cc2cccc(CNC(=O)c3ccc(C)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.38032144
2932,COCCCN1CCN(Cc2cccc(Oc3ccc4ccc(=O)oc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56264365
2933,COCCCN1CCN(Cc2cccc(Oc3ccc4ccc(O)nc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5603774
2934,COOc1ccc(OCCN2CCN(Cc3cccc(SC)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.53884214
2935,COc1cc2c(cc1Cc1ccccc1)CCN1Cc3c(cccc3OO)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7645983
2936,COc1cc2c(cc1O)C1Cc3cccc(-c4ccco4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69715726
2937,COc1cc2c(cc1O)C1Cc3cccc(CNC(C)(C)O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65250766
2938,COc1cc2c(cc1OCc1ccc(CO)nc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6090083
2939,COc1ccc(-c2cc(C(=O)NCCN3CCN(F)CC3)ccc2F)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3210528
2940,COc1ccc(C(=O)NCCN2CCN(c3ccco3)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.57672864
2941,COc1ccc(CO)cc1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7351079
2942,COc1ccc(OCCC(C)C)cc1N1CCCC(Cc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.33618206
2943,COc1ccc(OCCCCCc2ccc3c(c2)NC(=O)CC3)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.20356876
2944,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCS4)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.56149435
2945,COc1ccc(OCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.6643111
2946,COc1ccc(OCCN2CCC(c3ccccc3OC3CCC3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.66662025
2947,COc1ccc(OCCN2CCCC(Oc3ccc(CC4CCCCC4)cc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.36269712
2948,COc1ccc(OCCN=S(C)(=O)O)cc1NCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.06754609
2949,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1N1CCC(C(=O)O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.11379702
2950,COc1ccc(OCCNC(C)=O)cc1NS(=O)(=O)c1cccc2c1CC(C)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.2048441
2951,COc1ccc(OCCNCc2cc3ccccc3s2)cc1N,[*]CCOc1ccc(O[*])c([*])c1,0.21555786
2952,COc1ccc(OCCNS(C)(=O)=O)cc1CNCc1ccc(C)o1,[*]CCOc1ccc(O[*])c([*])c1,0.06413994
2953,COc1ccc(OCCNS(C)(=O)=O)cc1NC(=O)CCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.011470119
2954,COc1ccc(OCCS(C)(=O)=O)cc1C1CCCC(COc2ccc3c(c2)NC(=O)CC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.3252238
2955,COc1ccc(OCCc2ccc(S(C)(=O)=O)cc2)cc1OC1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.16432779
2956,COc1cccc(C2CCN(CCOc3ccc(ON=S(C)(=O)O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5978883
2957,COc1cccc(CCCN2CCN(Cc3cccc(F)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6081003
2958,COc1cccc(CN2CCN(CCCC3CS(=O)(=O)c4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5081111
2959,COc1cccc(CN2CCN(CCCCNc3ncc(-c4ccccc4)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5813102
2960,COc1cccc2c1CN1CCc3cc(-c4cccc([N+](=O)C(F)(F)F)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53385615
2961,COc1cccc2c1CN1CCc3cc(CC(=O)NCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32189196
2962,COc1cccc2c1CN1CCc3cc(COCc4ccccc4)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7804603
2963,COc1cccc2c1CN1CCc3cc(COc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.671448
2964,COc1ccccc1Cc1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76669014
2965,COc1ccccc1N1CCN(CCCOc2ccc(Oc3cccc(C=O)c3)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8491553
2966,COc1ccccc1NCC1CCN(CCN2CCN(c3ccccc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.43874183
2967,CSc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccncc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7833223
2968,C[N+](=O)C(=O)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52227855
2969,Cc1cc(OCCNC(=O)CCc2ccc3c(c2)NC(=O)CC3)ccc1ON(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.04575242
2970,Cc1cc(OCCNCc2cc3ccccc3o2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.12503214
2971,Cc1cc(OCCOC(=O)c2ccc(F)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.03600998
2972,Cc1cc2c(cc1Cl)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66926646
2973,Clc1ccccc1N1CCN(CCN2CCC(c3ncco3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8458583
2974,N#Cc1ccccc1NC(=O)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35185388
2975,O=C(NCc1cccc(CN2CCN(CCCOc3ccccc3)CC2)c1)c1cc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.47793424
2976,O=C(NCc1ccncc1)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7185017
2977,O=C1c2ccccc2Cc2ccccc2N1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7028241
2978,O=C1c2ccccc2NC(CCCCN2CCN(Cc3cccc(F)c3)CC2)N1c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58827674
2979,Oc1cccc2c1CN1CCc3cc(OCC=Nc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7390947
2980,C=CCOc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8092721
2981,CC(=O)Cc1ccc2c(c1)NC(=O)CC2C1CCN(CCOc2ccc(ON)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.45867497
2982,CC1(C)CCc2ccccc2C1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7072808
2983,CCCCN1CCN(Cc2cccc(-n3c(=O)oc4ccccc4c3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48349693
2984,CCCNC(=O)c1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.538571
2985,CCCOc1ccc(OC(=O)COc2ccccc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.035172813
2986,CCCOc1ccc(OC(=O)OC)c(N2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1492981
2987,CCCOc1ccc(OC=O)c(N2CCN(c3ccccc3C(C)C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25365716
2988,CCCOc1ccc(ONC)c(N2CCN(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30461589
2989,CCCOc1ccc(ONCCc2ccc3c(c2)CC(=O)O3)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11478702
2990,CCCOc1ccc(ONOC)c(N2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38310468
2991,CCCOc1ccc(OOC)c(N2CCC(NC(=O)c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19568394
2992,CCCOc1ccc(OOC)c(N2CCCN(C(=O)c3cccc(F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09466119
2993,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3ccc(OCC(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28199345
2994,CCOc1ccccc1N1CCCN(COc2ccc(OCCOC)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.52704895
2995,COC(=O)c1cc2c(cc1OC)C1Cc3cccc(Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41172972
2996,COC(=O)c1ccc(Cc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44236213
2997,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccncc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81429654
2998,COCCOc1ccc(OC)c(CN2CCCN(c3cccc(C(F)(F)F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.64283264
2999,COCCOc1ccc(ON2CCC(c3ccccc3C)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3898757
3000,CON1CCN(CCNC(=O)c2ccc(C(C)=O)c(-c3cccc(C)c3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27149707
3001,COc1cc2c(cc1-c1ccc(CF)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.741306
3002,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccc(CO)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72023034
3003,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc(NC5CCCCC5)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39306283
3004,COc1cc2c(cc1OC)C1Cc3cccc([SH](C)(=O)O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65979564
3005,COc1ccc(-c2cccc3c2CN2CCc4cc(C)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.609658
3006,COc1ccc(C(=O)NCCN2CCN([O-])CC2)cc1-c1ccccc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2909313
3007,COc1ccc(COc2cc3c(cc2F)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75573295
3008,COc1ccc(OCCF)cc1CS(=O)(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19065367
3009,COc1ccc(OCCN2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.54348797
3010,COc1ccc(OCCN2CCOCC2)cc1NS(=O)(=O)c1ccccc1C(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.13241377
3011,COc1ccc(OCCN=S(C)(=O)O)cc1CCCc1ccc(C2CCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.1369652
3012,COc1ccc(OCCOCC(C)C)cc1CNC(=O)C1CCN(Cc2ccc(SC)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.26158044
3013,COc1ccc(OCCS(C)(=O)=O)cc1OC1CCC(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.14350776
3014,COc1ccc(OCCS(C)(=O)=O)cc1OC1CCN(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.50351244
3015,COc1cccc(CN2CCN(CCCCCNC(=O)c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54775363
3016,COc1cccc(CN2CCN(CCCc3ccc(C=C(C)O)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60648894
3017,COc1cccc2c1CN1CCc3cc(-c4cccc([N+](=O)OC)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5775998
3018,COc1cccc2c1CN1CCc3cc(C)c(CSc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53221005
3019,COc1ccccc1-c1cc(C(=O)NCCN2CCN([N+](=O)[O-])CC2)ccc1SC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29966637
3020,COc1ccccc1N1CCN(CCN2CCC(Cc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8451902
3021,COc1ccccc1N1CCN(CCN2CCC(c3cccc4nccnc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8783268
3022,COc1ccccc1OCc1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75830626
3023,CSc1cccc(CN2CCN(CCCCc3ccc4ccccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7379944
3024,Cc1cc(OCCN2CCC(Cc3ccc4ccccc4n3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.5774462
3025,Cc1cc(OCCN2CCN(c3ccccc3OC(C)C)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.8274641
3026,Cc1cc(OCCN=S(C)(=O)O)ccc1ONCCc1ccccc1OC1CCNC1,[*]CCOc1ccc(O[*])c([*])c1,0.12979849
3027,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)NC(=O)CC3)ccc1ONC=O,[*]CCOc1ccc(O[*])c([*])c1,0.063557066
3028,Cc1cc(OCCNCC2C(=O)CCc3ccccc32)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.18028502
3029,Cc1cc(OCCNCc2ccc(F)c(F)c2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.093147434
3030,Cc1cc(OCCNCc2ccccc2)ccc1ON[SH](C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.23479848
3031,Cc1cc(OCCNS(=O)(=O)c2cccs2)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.09239566
3032,Cc1cccc2c1CN1CCc3cc(Cc4ccc(N(C)C)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6019031
3033,Cc1ccccc1N1CCN(CCN2CCC(Oc3ccc4cccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7029401
3034,Cc1ccccc1N1CCN(CCN2CCC(n3c(O)ccc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6006938
3035,ClCCCN1CCN(Cc2cccc(-c3cccc(-c4ccccc4)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7115051
3036,ClCCCN1CCN(Cc2cccc(-c3cccc4c3Cc3ccccc3N4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72978204
3037,FC(F)(F)OCCCN1CCN(Cc2cccc(-c3ccc4oc(S)nc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67024165
3038,N#Cc1cc2c(cc1CN1CCN(c3ccccc3)CC1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61536914
3039,O=C(CCCN1CCN(Cc2cccc(-c3ccccc3)c2)CC1)N1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.40196
3040,O=C(Nc1ccc2ccccc2c1)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3963064
3041,O=C1OC(c2cccc(CN3CCN(CCCCl)CC3)c2)Cc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72499824
3042,OC(CCCN1CCN(Cc2cccc(F)c2)CC1)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5582858
3043,O[SH](c1ccc(F)cc1)C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75642467
3044,Oc1cc(C2CCN(CCN3CCN(c4ccccc4O)CC3)CC2)c2ccccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7384772
3045,CC(=O)c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5499443
3046,CC(=O)c1ccccc1N1CCN(CCN2CCC(c3ccc4c(c3)NC(=O)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.693733
3047,CC(C)c1ccccc1N1CCN(CCN2CCC(c3ccc(Cl)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6641664
3048,CCCOc1ccc(OC(=O)NSC)c(NCC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03093404
3049,CCCOc1ccc(OC(C)C)c(CCNC(=O)c2cccc(NC(C)=O)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0075407806
3050,CCCOc1ccc(OCNS(C)(=O)=O)c(C(F)Cc2ccc(CF)cn2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.056987822
3051,CCCOc1ccc(OF)c(Cc2cccc(NC(=O)OC)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.028264672
3052,CCCOc1ccc(ON2C=C(C(=O)O)CCC2)c(N2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21336365
3053,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCCC(Cc3ccc(OC4CCCC(=O)C4)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23012617
3054,CCCOc1ccc(OS(C)(=O)=O)c(C(C)COc2ccc3c(c2)CCC(=O)N3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17030169
3055,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(Cc3ccccc3OC3CCCC3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28117675
3056,CCCOc1ccc(OS(N)(=O)=O)c(CCCc2cc(C)no2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.086500615
3057,CCCOc1ccc(OSC)c(NCc2cccs2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.117558576
3058,CCCOc1ccc(Oc2cc(CCC)on2)c(OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07259016
3059,CCCc1cc2c(cc1OC)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7846834
3060,CCOc1ccccc1N1CCN(CCN2CCC(n3cc(F)cnc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7638791
3061,CCc1ccccc1N1CCN(CCN2CCC(c3nc4ccccc4[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7750409
3062,CNC(=O)NCCOc1ccc(ON2CCN(c3ccccc3OC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22339903
3063,CNN1CCN(CCNC(=O)c2ccc(-c3ccccc3OC)c(OC)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.311448
3064,CNc1ccccc1C(=O)NCCc1cc(OCCSC)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.0147946095
3065,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79687536
3066,COC1CCN(CCN2CCN(c3ccccc3-n3ccc(C#N)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.779884
3067,COOc1ccc(OCCNCc2ccc(Cl)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.18554752
3068,COc1cc2c(cc1O)CCN1Cc3c(CC(=O)NCc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32460523
3069,COc1ccc(C(=O)NCCN2CCN(c3cccs3)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.64191395
3070,COc1ccc(C(O)c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6237726
3071,COc1ccc(C2CCN(CCOc3ccc(OC)c(NS(C)(=O)=O)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.6524825
3072,COc1ccc(N=Cc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7389943
3073,COc1ccc(OCCC=Cc2ccccc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.08918169
3074,COc1ccc(OCCCCCc2ccccc2)cc1CNS(=O)(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.10981261
3075,COc1ccc(OCCCN2C=CN(C(C)=O)CC2)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.19235961
3076,COc1ccc(OCCF)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.061753
3077,COc1ccc(OCCF)cc1NCCc1ccccc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08109711
3078,COc1ccc(OCCN2CCCC(Cc3ccc4ccccc4c3)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.52936155
3079,COc1ccc(OCCN2CCN(c3ccccc3OC)CC2)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.9248163
3080,COc1ccc(OCCN=S(C)(=O)O)cc1CN1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.34841573
3081,COc1ccc(OCCNC(C)=O)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.021251643
3082,COc1ccc(OCCNC=O)cc1N1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.37980166
3083,COc1ccc(OCCNCCc2ccccn2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.1687146
3084,COc1ccc(OCCNS(=O)(=O)c2cc(C(C)C)ccc2OC)cc1C1NCCN1C,[*]CCOc1ccc(O[*])c([*])c1,0.21616173
3085,COc1ccc(OCCOc2cccc(C(C)C)c2)cc1C(=O)N1CCC(C(=O)O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.077742845
3086,COc1ccc(OCCS(C)(=O)=O)cc1C1CCCC(Cc2ccc(OC3CCCCN3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.14568624
3087,COc1ccc(OCCS(C)(=O)=O)cc1OC1CCCc2ccc(CC(C)=O)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.21414188
3088,COc1ccc(OCCS(C)=O)cc1C1CCCC1COc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.18818787
3089,COc1cccc(Oc2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8636783
3090,COc1cccc2c1CN1CCc3cc(-c4ccccn4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6564583
3091,COc1cccc2c1CN1CCc3cc(Cc4c(C#N)cc5cccccc4-5)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5766176
3092,COc1ccccc1N1CCN(CCN2CCC(C(=O)Nc3cccc(C)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6923707
3093,COc1ccccc1N1CCN(CCN2CCC(Oc3ccc4ccc(C(N)=O)cc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7367305
3094,COc1ccccc1N1CCN(CCNC(=O)c2ccc(C)c(S(=O)(=O)O)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.8221667
3095,COc1ccccc1N1CCN(c2cc(OCCOCCF)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.34780607
3096,COc1ccccc1OC1CCN(CCN2CCN(c3ccccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.93014276
3097,CSc1ccc(CC2CCN(Oc3ccc(OCCN=S(C)(=O)O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.14274651
3098,CSc1ccccc1N1CCN(CCN2CCC(n3ccnc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75899523
3099,Cc1cc(OCCN2CCC(=O)C(c3ccc(F)cc3)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.44900352
3100,Cc1cc(OCCN2CCC(Cc3ccc4ccccc4c3)CC2)ccc1ON=S(O)O,[*]CCOc1ccc(O[*])c([*])c1,0.50929326
3101,Cc1cc(OCCNS(=O)(=O)Cc2ccc(S(C)(=O)=O)cc2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.051368337
3102,Cc1cc2c(cc1Cl)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68821365
3103,ClCCCN1CCN(Cc2cccc(CNc3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.45643482
3104,FCCCN1CCN(Cc2cccc(Cc3ccco3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58967793
3105,Fc1cccc(CN2CCN(CCCCc3ccc(-c4ccccc4)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6344043
3106,O=C(NCCCCN1CCN(Cc2cccc(-c3ccccc3)c2)CC1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7525251
3107,O=CCNCc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50300395
3108,O=[N+]([O-])c1c[nH]c(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41757208
3109,C=Cc1cc2c(cc1OC)CCN1Cc3c(cccc3-c3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7074404
3110,CC(=O)NCCOc1ccc(ON2CCN(Cc3ccccc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33520606
3111,CC(C)c1ccccc1N1CCN(CCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7449838
3112,CC1CCN(CCN2CCN(c3ccccc3-c3cccc(C#N)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7967139
3113,CC1CCN(CCN2CCN(c3ccccc3-n3cccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6274468
3114,CC1CCN(CCN2CCN(c3ccccc3Nc3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.44962257
3115,CCCOc1ccc(OF)c(CN2CCN(c3ccc(OC)c(OC)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.69409436
3116,CCCOc1ccc(OF)c(N(CCC)C2CCc3cc(OC)c(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6037168
3117,CCCOc1ccc(ON2CCN(c3ccccc3C(C)=O)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18388806
3118,CCCOc1ccc(OOC)c(CC(=O)Nc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0063357945
3119,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCC(COc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.41518137
3120,CCCOc1ccc(OS(C)(=O)=O)c(CCCc2cccc3c2CCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25746027
3121,CCCOc1ccc(OS(N)(=O)=O)c(NC(=O)Cc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.082137585
3122,CCCOc1ccc(OSC)c(C2(F)CCN(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39079475
3123,CCCc1cc(Cc2cc(OCCS(C)(=O)=O)ccc2OC)ccc1OC1CCNC1,[*]CCOc1ccc(O[*])c([*])c1,0.22377533
3124,CCCc1ccc(Oc2ccc(OCCOC)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.08727476
3125,CNc1ccccc1-c1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3741572
3126,COC(=O)c1ccc(C(=O)NCCN2CCN(F)CC2)cc1-c1ccccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30813858
3127,COC1CCN(CCN2CCN(c3ccccc3-c3ncn(-c4ccccc4)c3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6777928
3128,COC1CCN(CCN2CCN(c3ccccc3-n3cc(-c4ccccc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75750595
3129,COC1CCN(CCN2CCN(c3ccccc3-n3cc(-c4cccnc4)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7062588
3130,COc1cc2c(cc1-c1ccc(O)cc1)CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6137169
3131,COc1cc2c(cc1C)CCN1Cc3c(C=O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6850683
3132,COc1cc2c(cc1CO)C1Cc3cccc(C=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6231419
3133,COc1cc2c(cc1Nc1cccc(C)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46455842
3134,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(CCO)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7612931
3135,COc1cc2c(cc1O)C1Cc3cccc(Cc4cccc([N+](=O)O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6668627
3136,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc(OCCF)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67994857
3137,COc1cc2c(cc1O)CCN1Cc3c(cccc3NC(=O)CCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.22093607
3138,COc1cc2c(cc1OC)C1Cc3cccc(N=S(C)(=O)O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64256716
3139,COc1ccc(C2CCCN(c3cc(OCCSC)ccc3OC)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.34991518
3140,COc1ccc(COc2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73220485
3141,COc1ccc(OCCC(O)CCc2ccc3c(c2)N(C)C(=O)CC3)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.19309014
3142,COc1ccc(OCCCCOc2ccc3c(c2)NC(=O)CC3)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.22506645
3143,COc1ccc(OCCCS(N)(=O)=O)cc1N1CCC(Cc2ccc3c(c2)CC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31281534
3144,COc1ccc(OCCCc2ccc(C(C)=O)cc2)cc1N1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27391836
3145,COc1ccc(OCCF)cc1CN1CCN(S(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3076617
3146,COc1ccc(OCCN2CCC(c3ccc(Cl)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.78875387
3147,COc1ccc(OCCN2CCC(c3cccc(S(C)(=O)=O)c3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.7581507
3148,COc1ccc(OCCN2CCC(c3ccccc3OC)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.6482445
3149,COc1ccc(OCCNC(C)=O)cc1CN1CCC(c2ccccc2F)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.41778564
3150,COc1ccc(OCCNC=O)cc1CN1CCN(c2ccccc2OCCF)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6949098
3151,COc1ccc(OCCS(=O)(=O)C(F)(F)F)cc1CCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.2441691
3152,COc1ccc(OCCS(N)(=O)=O)cc1N1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.26945287
3153,COc1ccc(OCCc2ccc(C(C)=O)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.039167117
3154,COc1cccc(CN2CCN(CCCC(=O)N3C=CC=CC3(C)C)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46930724
3155,COc1cccc(CN2CCN(CCCCNC(=O)c3ccccn3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5790698
3156,COc1cccc(CN2CCN(CCCN3c4ccccc4NC(=O)C3C)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53705984
3157,COc1cccc(Cc2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.653855
3158,COc1cccc2c1CN1CCc3cc(-c4cccc(NC(C)=O)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.33143893
3159,COc1cccc2c1CN1CCc3cc(C)c(C(=O)Nc4ccc(C)cc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.27093005
3160,COc1ccccc1C(=O)Nc1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.23140979
3161,COc1ccccc1NC1CCN(c2cc(OCCF)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.309698
3162,CSOc1ccc(OCCN2CCC(Oc3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.65374064
3163,Cc1cc(OCCCCCc2ccc3c(c2)NC(=O)CCC3)ccc1ON1CCN(S(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27133718
3164,Cc1cc(OCCCS(C)(=O)=O)ccc1ON1CCC(c2ccc(CC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24439459
3165,Cc1cc(OCCN2CCN(Cc3ccc4c(c3)CCC(=O)N4)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.421591
3166,Cc1cc(OCCN2CCN(c3ccccc3OC(C)C)CC2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.812561
3167,Cc1cc(OCCNCC2CCc3ccccc3O2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.29077572
3168,Cc1cc(OCCOS(C)(=O)=O)ccc1ON1CCN(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.45490152
3169,Cc1cc2c(cc1CO)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6041871
3170,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)Nc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5296968
3171,FCCOc1ccccc1N1CCN(CCN2CCC(c3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8681007
3172,O=Cc1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61150783
3173,O=c1oc(-c2ccccc2)ccc1-c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65249074
3174,Oc1cc2c(cc1Br)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6635326
3175,Oc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8267488
3176,Oc1ccccc1COc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7255292
3177,C=S(O)(O)=NOc1ccc(OCCN2CCN(c3ccc(Cl)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6326175
3178,C=[SH]SC1CCN(c2cc(OCCNS(=O)(=O)Cc3ccc(F)cc3)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2712478
3179,CC(C)(C)CCCN1CCN(Cc2cccc(N3C(=O)COc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53178865
3180,CC(C)(C)CCCN1CCN(Cc2cccc(N3C(=O)c4ccccc4S3(=O)=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5399453
3181,CCC(C)(C)c1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.82921195
3182,CCC(C)CCOc1ccc(OC)c(CN2CCC(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6756137
3183,CCCOc1ccc(OC)c(CNC(=O)c2ccc(Cl)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.025648633
3184,CCCOc1ccc(OF)c(CCN2CCN(c3cccs3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.69272685
3185,CCCOc1ccc(OF)c(CCN2CCc3cc(OC)c(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.59281975
3186,CCCOc1ccc(OF)c(N2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35975495
3187,CCCOc1ccc(ON2CCCN(c3ccc(Cl)cc3)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34065402
3188,CCCOc1ccc(ON2CCCN(c3ccccc3OCC)CC2)c(C(N)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21481292
3189,CCCOc1ccc(ON2CCN(Cc3cccc(OC)c3)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.49704313
3190,CCCOc1ccc(ON=S(C)(=O)O)c(CCOc2ccc(C(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.053783603
3191,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Oc3ccc(SCCF)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18458126
3192,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(Cc3ccc(CC4CCC(=O)N4)cc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22548798
3193,CCCOc1ccc(OS(N)(=O)=O)c(CCCc2coc3ccccc23)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12784863
3194,CCN1CCC(c2ccc(-c3cc(OCCNS(C)(=O)=O)ccc3OC)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.44934624
3195,CCOc1cc2c(cc1OC)CCN1Cc3c(cccc3Oc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59341043
3196,CNSOc1ccc(OCCNCc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.3238403
3197,CNc1ccc(-c2cc3c(cc2OC)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56148773
3198,COCCCN1CCN(Cc2cccc(CCc3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7206546
3199,COCCCN1CCN(Cc2cccc(CNC(=O)c3cnc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4000171
3200,COCCOc1ccc(OC)c(CN2CCC(c3ccccc3OCCF)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.64641064
3201,COCCOc1ccc(OCN2CCCN(c3ccc(Cl)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.48243958
3202,COc1cc2c(cc1O)C1Cc3cccc(OCC4CCCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6703442
3203,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78412336
3204,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc5ccc(CO)cc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.595768
3205,COc1cc2c(cc1OCc1cccc(C(=O)O)c1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34032637
3206,COc1ccc(C2CCN(CCN3CCN(c4ccccc4O)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7463865
3207,COc1ccc(OCCCCC(=O)c2ccc(C)s2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.052265577
3208,COc1ccc(OCCCNC(=O)c2ccc(-c3ccccc3)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.09166127
3209,COc1ccc(OCCCNS(C)(=O)=O)cc1N1CCC(Oc2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27962127
3210,COc1ccc(OCCF)cc1NC(=O)c1ccc(SC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.03440663
3211,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.659152
3212,COc1ccc(OCCN2CCC(Oc3ccc(CCCF)cc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.6148551
3213,COc1ccc(OCCN2CCCC(CCc3ccccc3)C2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.6018436
3214,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1NCC1CCN(S(C)(=O)=O)SC1,[*]CCOc1ccc(O[*])c([*])c1,0.058890656
3215,COc1ccc(OCCNC(=O)OCCc2ccc(F)cc2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.07931478
3216,COc1ccc(OCCNS(C)(=O)=O)cc1C(O)COc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.06414042
3217,COc1ccc(OCCOS(C)(=O)=O)cc1CC1CCc2ccc(CC3CCC3)cc2C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.26198816
3218,COc1cccc(CN2CCN(CCCC(=O)NSc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.40074983
3219,COc1cccc(CN2CCN(CCCc3cccc(Cl)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6615718
3220,COc1cccc(COc2cc3c(cc2OC)C2Cc4cccc(OCc5ccccc5)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.706595
3221,COc1cccc(NC(=O)C2CCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21136464
3222,COc1cccc(OC)c1-c1cccc2c1CN1CCc3cc(OCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53874016
3223,COc1ccccc1C1CCN(CCOc2ccc(OS(N)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.65261394
3224,CSc1ccc(OC2CCN(COc3ccc(OCCF)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.36515647
3225,Cc1cc(OCCC(C)C)ccc1ONS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.058298487
3226,Cc1cc(OCCCF)ccc1OCNCC1c2ccccc2CCN1C=O,[*]CCOc1ccc(O[*])c([*])c1,0.40550613
3227,Cc1cc(OCCN=S(C)(=O)O)ccc1ONCCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.14931631
3228,Cc1cc(OCCN=[SH](=O)c2ccccc2C(C)C)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.063135676
3229,Cc1cc(OCCNCCCc2ccccc2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.38029915
3230,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCN(Cc2ccc(S(C)(=O)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18508345
3231,Cc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cccc(F)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.562028
3232,Cc1ccc(S(=O)(=O)NCCOc2ccc(ON3CCC(C)CC3)c(C)c2)s1,[*]CCOc1ccc(O[*])c([*])c1,0.22694045
3233,Cc1ccc2cc1NC(=O)CC(CCNOc1ccc(OCCNS(C)(=O)=O)cc1C)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.16420192
3234,Cc1cccc2c1CN1CCc3cc(-c4cc5ccccc5[nH]4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57855207
3235,Cc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.54456496
3236,ClC1CCN(CCN2CCN(c3ccccc3-n3cccc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6982441
3237,FC(F)(F)c1ccc(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)nn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7468579
3238,Fc1ccc(-c2cccc(-c3cccc(CN4CCN(CCCCl)CC4)c3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.71882343
3239,O=C(NCCCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1)C1CCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6362021
3240,O=[N+](F)c1cccc(-c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5972903
3241,O=c1cccc(-c2cccc(CN3CCN(CCCCl)CC3)c2)s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62016124
3242,CC(=O)c1ccc(CNC(=O)CN2CCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)C2=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.091214985
3243,CC(=O)c1ccccc1N1CCN(CCN2CCC(NC(=O)c3cccs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67981994
3244,CC(C)Oc1ccccc1N1CCN(CCN2CCC(Cc3cc4ccccn4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8154984
3245,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccccc4F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7531852
3246,CC1CCN(CCN2CCN(c3ccccc3C(=O)NCc3ccncc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6494188
3247,CCCCN1CCN(Cc2cccc(C(C)(C)C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5711919
3248,CCCOc1ccc(OCC(=O)c2ccc(F)cc2)c(CN(CC)CC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.044430576
3249,CCCOc1ccc(OCN2CCC(Cc3ccc4ccccc4c3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.42611122
3250,CCCOc1ccc(ON2CCN(C=O)CC2)c(-c2ccc(C(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1907881
3251,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(Cc3ccc4c(c3)NC(=O)CCC4)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2851698
3252,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(c3ccc(CC4CCCC4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17278782
3253,CCCOc1ccc(OS(C)(=O)=O)c(C2CCCC(Cc3ccc(OC4CCCCC4)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1820998
3254,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(c3ccc(C)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22191682
3255,CCCOc1ccc(OSC)c(N2CCCC(OC3=CC=CC=CCC3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34762165
3256,CCCc1ccc(COc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73599386
3257,CCN=Cc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7471041
3258,CCNCc1cc2c(cc1F)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64051706
3259,CCOc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5711998
3260,CCOc1ccccc1N1CCN(CCOc2ccc(ONC(C)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6896218
3261,CC[N+](O)=Cc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67009175
3262,CCc1cc(C2CCN(c3cc(OCCOC)ccc3OC)CC2)no1,[*]CCOc1ccc(O[*])c([*])c1,0.34524456
3263,COC(=O)c1cc2c(cc1O)C1Cc3cccc(CO)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53846294
3264,COC1CCN(CCN2CCN(c3ccccc3-n3c(O)nc4cc(Cl)ccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77201784
3265,COC1CCN(CCN2CCN(c3ccccc3C(=O)C3CC3c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6477082
3266,COOc1ccc(OCCCOc2ccc(F)cc2)cc1CCNC1CCc2ccc(OC)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.61215806
3267,COOc1ccc(OCCCn2ccc(F)c2)cc1C(=O)Nc1ccccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.057395916
3268,COc1cc2c(cc1-c1ccc3ccc(C#N)cc3c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6549778
3269,COc1cc2c(cc1CC#N)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.80676645
3270,COc1cc2c(cc1Cl)C1Cc3cccc(-c4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7081435
3271,COc1cc2c(cc1O)C1Cc3cccc(CN(C)c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7289845
3272,COc1cc2c(cc1O)C1Cc3cccc(COCc4ccccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7608901
3273,COc1cc2c(cc1O)C1Cc3cccc([N+](=O)Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6496987
3274,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(-c4ccc(COC(C)=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3686458
3275,COc1ccc(C(=O)NCCN2CCN(O)CC2)cc1-c1ccccc1F,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3308606
3276,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccccc1C=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32990903
3277,COc1ccc(C(=O)NCCN2CCN(OS(C)(=O)=O)CC2)cc1-c1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3352923
3278,COc1ccc(OCCC(=O)Cc2ccc(F)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.05461937
3279,COc1ccc(OCCCl)cc1CNC(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.05144855
3280,COc1ccc(OCCN2CCN(Cc3cccc(SC)c3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.60004807
3281,COc1ccc(OCCN=S(C)(=O)O)cc1CN1CCCC(c2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.28409582
3282,COc1ccc(OCCNC(=O)COc2ccc(C(C)C)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.023500534
3283,COc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1CC1CCNC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.02328457
3284,COc1ccc(OCCNC(=O)c2cc3ccccc3s2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.045737196
3285,COc1ccc(OCCNCC(=O)c2ccc(F)cc2)cc1CCN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.86449754
3286,COc1ccc(OCCc2ccc(C(C)C)cc2)cc1C=CN1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3201002
3287,COc1ccc(OCCc2ccc(SC)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.07232592
3288,COc1cccc(CN2CCN(CCCc3nc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6842725
3289,COc1ccccc1C(=O)NC1CCN(CCN2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.57465637
3290,CSOc1ccc(OCCN2CCc3ccc(S(C)(=O)=O)cc3CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.48674095
3291,Cc1cc(OCCF)ccc1OC(=O)NC1CCN(Cc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.49902758
3292,Cc1cc(OCCF)ccc1ON1CCN(CCc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5186361
3293,Cc1cc(OCCN=S(C)(=O)O)ccc1OC1CCN(CCc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.50168574
3294,Cc1cc(OCCNC(=O)COc2ccc3ccccc3c2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.020626986
3295,Cc1cc(OCCNC(=O)Cc2ccccc2)ccc1ON1CN(c2cccc(Cl)c2)CS1(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.04322304
3296,Cc1cc(OCCNCCc2ccc3c(c2)CCC(=O)N3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.1163814
3297,Cc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1ccc(F)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2626366
3298,Cc1cccc(C(=O)NCCOc2ccc(ON=S(C)(=O)O)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.013183631
3299,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(-c4ccccn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67548275
3300,ClC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ncccn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7995421
3301,Nc1cc2c(cc1O)C1Cc3cccc(F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77494633
3302,O=C(Nc1ccccc1)Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.38420758
3303,O=C(c1cccc(CN2CCN(CCCc3ccccc3)CC2)c1)N1CCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5352639
3304,Oc1cc2c(cc1O)C1Cc3cccc(-c4ccc5cc[nH]c5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62793285
3305,Oc1cccc2c1CN1CCc3cc(-c4ccc(F)cc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74182975
3306,CC(=O)OCCOc1ccc(OCN2CCC(c3ccccc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2878951
3307,CC(=O)[N+](=O)Oc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46865165
3308,CC1(C)C(=O)c2ccccc2OC1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5187673
3309,CCC1CCN(CCN2CCN(c3ccccc3-n3c(O)nc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68686134
3310,CCCOC(=O)Nc1cc(OCCSC)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.058224395
3311,CCCOc1ccc(ON)c(CNc2ccc(C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.034712356
3312,CCCOc1ccc(ONS(C)(=O)=O)c(NC(=O)Cc2ccc3ccccc3c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.010101923
3313,CCCOc1ccc(OOC)c(N2CCCN(c3cccc(Cl)c3Cl)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40028912
3314,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(O)(c3ccc(C(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19671483
3315,CCOC1CCN(CCN2CCN(c3ccccc3-c3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78144425
3316,CCOCc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7280542
3317,CCOCc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77431613
3318,CCOc1cccc(CCCOc2ccc(OC)c(SC)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13315782
3319,CCOc1ccccc1N1CCN(CCN2CCC(CNC3C(=O)c4ccccc4C(=O)N3c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5571161
3320,CCOc1ccccc1N1CCN(CCN2CCC(c3ccc4nc(O)ccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7651843
3321,CNS(=O)(=O)CCOc1ccc(ONC(=O)COc2ccc3c(c2)NC(=O)CC3)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0671274
3322,COC(=O)c1cccc(Cc2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48576316
3323,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccc(F)cc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8096613
3324,COC1CCN(CCN2CCN(c3ccccc3-c3cccc(-c4ccc(Cl)cc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8176575
3325,COC1CCN(CCN2CCN(c3ccccc3-c3cccc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80200875
3326,COC1CCN(CCN2CCN(c3ccccc3C(=O)NC3CCc4ccc(O)cc4C3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7151032
3327,COC1CCN(CCN2CCN(c3ccccc3Cc3cnc(-c4ccccc4)o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76940644
3328,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3csc(-c4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.48719764
3329,COCCOc1ccc(OC)c(CCC(=O)c2ccccn2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04652258
3330,CON=COc1ccc(OCCc2ccc(F)cc2)cc1CCCn1cccc1,[*]CCOc1ccc(O[*])c([*])c1,0.14873447
3331,COOc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.81951374
3332,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccccc1N,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29996622
3333,COc1cc(C(=O)NCCN2CCN(c3ccccc3C)CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.6933771
3334,COc1cc2c(cc1C)C1Cc3cccc(OCCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64542747
3335,COc1cc2c(cc1CN1CCCCC1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56310546
3336,COc1cc2c(cc1O)C1Cc3cccc(C4CCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7665092
3337,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccoc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7450646
3338,COc1cc2c(cc1O)CCN1Cc3c(cccc3N3CCC(C)C3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6497887
3339,COc1cc2c(cc1OC)C1Cc3cccc(OS(=O)(=O)c4ccc(C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44490424
3340,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(CC#N)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7664134
3341,COc1ccc(C(O)c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7004037
3342,COc1ccc(NC2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)cc1OC,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.61224145
3343,COc1ccc(OCCC(N)=O)cc1N1CCC(C(=O)c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20987113
3344,COc1ccc(OCCF)cc1CNS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.070016816
3345,COc1ccc(OCCN2CCC(c3ccc(Cl)cc3)C2=O)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.3424394
3346,COc1ccc(OCCN2CCC(c3ccc(OC4CCCCC4)cc3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6787811
3347,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Cc2csc3ccccc23)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27187905
3348,COc1ccc(OCCS(C)=O)cc1NC1CCC(Oc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.17733093
3349,COc1cccc(CN2CCN(CCCCc3ccc4ccc(=O)oc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69790304
3350,COc1ccccc1N1CCN(COc2ccc(OCCF)cc2C)C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.25471997
3351,CS(=O)(=O)CC1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76026213
3352,Cc1cc(OCCCl)ccc1OCN1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.38741452
3353,Cc1cc(OCCN2CCC(c3ccccc3OC3CC3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.62437946
3354,Cc1cc(OCCNC(=O)c2ccc(F)cc2)ccc1ON1CCNC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.09985587
3355,Cc1cc(OCCNCC2CCc3ccccc3O2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.32703322
3356,Cc1cc(OCCNCc2ccccc2)ccc1OCO,[*]CCOc1ccc(O[*])c([*])c1,0.29998252
3357,Cc1cc(OCCNS(C)(=O)=O)ccc1OCC1CCN(Cc2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.37085614
3358,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(c2ccc(OCC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21872465
3359,Cc1cc2c(cc1OCc1cccc(CO)c1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6556466
3360,Cc1ccccc1N1CCN(CCN2CCC(Cc3ncc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6352739
3361,ClCCCN1CCN(Cc2cccc(-c3ccccc3-c3cccc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6409788
3362,O=C(NCC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)C1CCCCC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7965829
3363,O=C(NCCCN1CCN(Cc2cccc(Cl)c2)CC1)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4329584
3364,O=C(c1cccc(CN2CCN(CCCc3ccccc3)CC2)c1)N1Cc2ccccc2C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5821537
3365,O=C1OCCc2cc(-c3cccc(CN4CCN(CCCCl)CC4)c3)ccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67411166
3366,O=S1(=O)Cc2ccccc2N1CCCN1CCN(Cc2cccc(OC(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61398536
3367,O=c1ccc(C(F)(F)F)cn1CCCCN1CCN(Cc2cccc(O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62963307
3368,Oc1cc(-c2cccc(CN3CCN(CCCCl)CC3)c2)c2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6333198
3369,Oc1cc2c(cc1-c1ccccn1)CCN1Cc3c(Br)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65619993
3370,C=S(=O)(O)Cc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7881897
3371,CC(=O)Nc1ccc(CCCN2CCN(Cc3cccc(Cl)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3266783
3372,CC(=O)c1ccccc1N1CCN(CCN2CCC(Oc3ccc4ccc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.59132403
3373,CC(C)c1ccc(S(=O)(=O)NOc2ccc(OCCF)cc2CC2CCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.15506898
3374,CCC(=O)Oc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5952652
3375,CCCOc1ccc(OC)c(NC2CCN(S(C)(=O)=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21238498
3376,CCCOc1ccc(OC=O)c(CNC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.028143179
3377,CCCOc1ccc(OS(C)(=O)=O)c(C(C)CC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.032900512
3378,CCCOc1ccc(OS(C)(=O)=O)c(C(F)CC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03452937
3379,CCOC1CCN(CCN2CCN(c3ccccc3-c3nc(-c4ccccc4)cs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.62793404
3380,CCOc1cc2c(cc1C)CCN1Cc3c(cccc3C(=O)OC(C)(C)C)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45338342
3381,CCc1cc2c(cc1Cl)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6670581
3382,CN(Cc1cccc(Br)c1)Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58892465
3383,COC1CCN(CCN2CCN(c3ccccc3OC(=O)C3CCc4ccc(O)cc4C3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82203335
3384,COCCCN1CCN(Cc2cccc(-c3cc4ccc3CCc3ccccc3NC(=O)C4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5801011
3385,COCCCN1CCN(Cc2cccc(C3c4ccccc4NS3(=O)=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5580544
3386,COCCCN1CCN(Cc2cccc(NC(=O)c3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.36306974
3387,COCCOc1ccc(OF)c(CN2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7772493
3388,COCCOc1ccc(Oc2cccc(OCCc3ccccc3)c2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13825104
3389,COOc1ccc(OCCCF)cc1CCN1CCC(CCF)C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.29664183
3390,COc1cc(C(C)C)ccc1NS(=O)(=O)c1cc(OCCNC(C)=O)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.02881813
3391,COc1cc2c(cc1C(=O)c1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46287778
3392,COc1cc2c(cc1O)C1Cc3cccc(O[N+](=O)c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7486312
3393,COc1cc2c(cc1OC)C1Cc3cccc(C(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8500275
3394,COc1ccc(-c2ccnc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)c2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7907692
3395,COc1ccc(OCCCC(=O)c2ccc(F)cc2)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6625444
3396,COc1ccc(OCCCS(=O)(=O)c2ccccc2F)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.09337822
3397,COc1ccc(OCCNC(=O)Cc2cccs2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.015204
3398,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(c2ccc(CC(F)(F)F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.26867712
3399,COc1ccc(OCCSC)cc1N1CCCC(c2ccc(OCC(F)(F)F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.3260438
3400,COc1ccc2c(c1)N(c1ccccc1N1CCN(CCN3CCC(OC)CC3)CC1)C(=O)CO2,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6706817
3401,COc1cccc(CN2CCN(CCCC3OCCCC3(C=O)c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.50769466
3402,COc1cccc(CN2CCN(CCCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6033452
3403,COc1cccc(CNc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47390062
3404,COc1cccc(COc2cc3c(cc2Cl)CCN2Cc4c(cccc4OC)CC32)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6316006
3405,COc1cccc2cc(-c3cc4c(cc3O)C3Cc5cccc(Cl)c5CN3CC4)cc(O)c12,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6815434
3406,COc1ccccc1N1CCN(CCNC(=O)c2ccc(SC)c(C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.8613815
3407,Cc1cc(OCCCC2CCc3ccccc3C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.28256157
3408,Cc1cc(OCCCCCc2ccc3c(c2)NC(=O)CCC3)ccc1ON1CCCSC1,[*]CCOc1ccc(O[*])c([*])c1,0.36362806
3409,Cc1cc(OCCCN2CCC(Cc3ccc(F)cc3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.6733087
3410,Cc1cc(OCCF)ccc1OCN1CCC(C(=O)c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3509175
3411,Cc1cc(OCCN)ccc1ONS(=O)(=O)c1cccc(C(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.071226455
3412,Cc1cc(OCCN2CCN(c3ccccc3OCCF)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.66390973
3413,Cc1cc(OCCN=S(C)(=O)O)ccc1ONCCc1cccc2c1CCC(=O)N2,[*]CCOc1ccc(O[*])c([*])c1,0.054134253
3414,Cc1cc(OCCNCCCC2CCC3=CC=CC=CNC2C3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.16383146
3415,Cc1cc(OCCNCCc2ccccc2)ccc1OOS(=O)(=O)F,[*]CCOc1ccc(O[*])c([*])c1,0.18546963
3416,Cc1cc(OCCNCc2ccccc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.26663905
3417,Cc1cc2c(cc1O)CCN1Cc3c(CNCc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49308342
3418,Cc1ccc(Cc2cccc(CN3CCN(CCCCl)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5447281
3419,Clc1ccccc1N1CCN(CCN2CCC(c3cnc(-c4ccccc4)o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78073275
3420,FC(F)(F)c1cccc(CN2CCN(CCCC3CCCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6880655
3421,Fc1ccc(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)nn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8348378
3422,Fc1cccc(CN2CCN(CCCc3csc(-c4ccccc4)n3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6412035
3423,O=C(O)Oc1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4338046
3424,O=C(c1cccnc1)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7378708
3425,O=C1CC(c2cccc(CN3CCN(CCCF)CC3)c2)Nc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5827493
3426,O=C1NCCC1(CCc1cccc(CN2CCN(CCCCl)CC2)c1)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6514295
3427,O=c1oc2ccccc2c(=O)n1CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.520109
3428,Oc1cc2c(cc1C=CNOCc1ccccc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53871614
3429,Oc1cc2c(cc1O)C1Cc3cccc(OCc4ccncc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68109536
3430,Oc1cccc2c1CN1CCc3cc(Cc4cccc5[nH]ccc45)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67662346
3431,Oc1cnc2cc(Oc3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)ccc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69970214
3432,C#Cc1cccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2C)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.24321309
3433,CC(C)c1ccccc1N1CCN(CCN2CCC(n3c(-c4ccc(F)cc4)cnc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6963687
3434,CCCCCN1CCN(Cc2cccc(N3C(=O)c4ccccc4C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6517054
3435,CCCOc1ccc(OF)c(C(=O)CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.48187435
3436,CCCOc1ccc(OF)c(NC(=O)Nc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.016207023
3437,CCCOc1ccc(ON2CCCN(c3ccc(CCO)cc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2951428
3438,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3323967
3439,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCCC(c3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29441112
3440,CCCOc1ccc(OOC)c(CNC(=O)c2ccc(CC)nc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.021210266
3441,CCCOc1ccc(OOCCc2ccccc2)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7690373
3442,CCCOc1ccc(OS(C)(=O)=O)c(CCN2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7582651
3443,CCCOc1ccc(OS(C)(=O)=O)c(NCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.080678776
3444,CCCOc1ccc(OS(N)(=O)=O)c(N2CCN(C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36622277
3445,CCOC(=O)c1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.473848
3446,CCOc1cc2c(cc1OC)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6893721
3447,CCOc1ccccc1N1CCN(CCN2CCC(n3cccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8467562
3448,CCOc1ccccc1N1CCN(c2cc(OCCC(N)=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23560001
3449,COCCCN1CCN(Cc2cccc(C3C(=O)CCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7013885
3450,COCCCN1CCN(Cc2cccc(N3C(=O)CC(C)c4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66721296
3451,COc1cc(C(=O)NCCN2CCN(Cc3ccccc3)CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3422168
3452,COc1cc(Cl)cc(Cl)c1-c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69111925
3453,COc1cc2c(cc1-c1cccc(Oc3ccccc3)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5963655
3454,COc1cc2c(cc1Cc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76539195
3455,COc1cc2c(cc1O)C1Cc3cccc(CSc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.676373
3456,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(NC=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4867934
3457,COc1cc2c(cc1O)C1Cc3cccc(OCc4cc5ccccc5[nH]4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7165638
3458,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccc5[nH]ccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7118431
3459,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cccc(COC(C)=O)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50519335
3460,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc5c(c4)C4=CC=CC=C5NC=C4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55941296
3461,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccno4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66628426
3462,COc1cc2c(cc1OC)C1Cc3cccc(Sc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7756405
3463,COc1ccc(C(=O)NCCN2CCN(c3cccc(C)c3)CC2)cc1SC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.5733947
3464,COc1ccc(C(=O)NCCN2CCN(c3ccccc3SC)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.7660252
3465,COc1ccc(OCCC(=O)Cc2ccc(OC3CCNCC3)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09811318
3466,COc1ccc(OCCC2(F)CCCN(C(=O)c3ccc(F)c(F)c3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.0810346
3467,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)N(C)C(C(C)=O)CC4)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.29677126
3468,COc1ccc(OCCN2CCC(Oc3ccc(CCCF)cc3)CC2)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.54967904
3469,COc1ccc(OCCN2CCCC(C(=O)c3ccc(F)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.52958584
3470,COc1ccc(OCCN2CCN(C(=O)c3cccs3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.22708744
3471,COc1ccc(OCCNCc2ccccc2)cc1N=S(C)(=O)[O-],[*]CCOc1ccc(O[*])c([*])c1,0.25493816
3472,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCCC(Cc2ccc(SC)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.20881674
3473,COc1ccc(OCCNS(C)(=O)=O)cc1NCc1cccs1,[*]CCOc1ccc(O[*])c([*])c1,0.06886722
3474,COc1ccc(OCCS(C)(=O)=O)cc1CC1CCN(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.48684454
3475,COc1ccc(OCCS(N)(=O)=O)cc1N1CCC(Cc2ccc3c(c2)NC(=O)CCC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.31573135
3476,COc1cccc(COc2cc3c(cc2O)C2Cc4cccc(C)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57216847
3477,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(S(=O)(=O)O)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27003896
3478,COc1ccccc1CCCCN1CCN(Cc2cccc(C(=O)N3c4ccccc4CC3C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6658273
3479,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cc4ccccc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8602748
3480,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(-c4ccc(F)cc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.89955795
3481,CSc1ccc(OCOc2ccc(OCCNCCc3ccccc3)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.19504249
3482,CSc1ccccc1N1CCN(CCN2CCC(c3ccc4c(c3)OCC(=O)N4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6900339
3483,Cc1cc(OCCC(C)Cc2ccccc2)ccc1ON1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.38964587
3484,Cc1cc(OCCF)ccc1OC(=O)NCc1ccc(Cl)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.019364428
3485,Cc1cc(OCCF)ccc1O[N+](=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.098518856
3486,Cc1cc(OCCN2CCC(Cc3ccc(F)cc3)CC2)ccc1ON=S(C)(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.59746873
3487,Cc1cc(OCCN2CCCC(Cc3ccc(OC4CCNC4)cc3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.36034137
3488,Cc1cc(OCCN2CCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2931534
3489,Cc1cc(OCCN=S(C)(O)=NO)ccc1ON1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27890038
3490,Cc1cc(OCCNCCc2ccc3c(c2)CC(=O)CC3)ccc1OS(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1820814
3491,Cc1cccc2c1CN1CCc3cc(NS(C)(=O)=O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40108994
3492,ClCCCN1CCN(Cc2cccc(C3c4ccccc4Cc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7671389
3493,O=C1c2ccccc2NC1c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6595898
3494,Oc1cc2c(cc1-c1c[nH]c3ccc(F)cc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68527776
3495,Oc1cc2c(cc1Cl)CCN1Cc3c(C=Cc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77100134
3496,Oc1cccc2c1CN1CCc3cc(-c4cccc([N+](F)(F)F)c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6388199
3497,C#Cc1ccc(-c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6649358
3498,C=CC1c2ccccc2C(=O)N1CCCN1CCN(Cc2cccc(OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59444684
3499,CC=S(O)CCCN1CCN(Cc2cccc(Cc3ccc(F)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.47854793
3500,CCCCn1cc(-c2cc(OCCC)ccc2OCN2CCN(c3ccccc3OC)CC2)nn1,[*]CCOc1ccc(O[*])c([*])c1,0.77717507
3501,CCCN(CCC1C=CC2(C)CC=C1CCC2=O)c1cc(OCCNS(C)(=O)=O)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.1961434
3502,CCCOc1ccc(OCCOc2ccccc2)c(CN(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17971067
3503,CCCOc1ccc(OF)c(CN2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13535729
3504,CCCOc1ccc(ON2CCC(COc3ccc4c(c3)NC(=O)CC4)CC2)c(NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3409152
3505,CCCOc1ccc(ON2CCN(CCc3ccccc3)CC2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.49742004
3506,CCCOc1ccc(ON=S(C)(=O)O)c(NC(=O)Cc2ccc(C=O)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.013525255
3507,CCCOc1ccc(OOC)c(CNC(=O)c2cccc(N3CCN(C)CC3)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25314134
3508,CCCOc1ccc(OOCC)c(-c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09891245
3509,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3ccc(F)cc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29826382
3510,CCCOc1ccc(OS(C)(=O)=O)c(NCCCC2COC3=CC=CC(C)=C2C=C3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09663754
3511,CCOCCCN1CCN(Cc2cccc(-c3ccc(-c4ccccc4)o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49863052
3512,CN1c2ccccc2CC(CCCN2CCN(Cc3cccc(Cl)c3)CC2)S1(=O)=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7333499
3513,CNCCOc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7244512
3514,COC(=O)c1cccc(-c2cc(C(=O)NCCN3CCN(OC)CC3)ccc2OC)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.25528118
3515,COC1CCN(CCN2CCN(c3ccccc3-n3ccc(C=C(O)C#N)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6168076
3516,COC1CCN(CCN2CCN(c3ccccc3C(=O)Cc3cc(O)nc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.59059185
3517,COC1CCN(CCN2CCN(c3ccccc3Cc3nc4ccccc4s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69438505
3518,COC1CCN(CCN2CCN(c3ccccc3Nc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.43691745
3519,COCCOc1ccc(OC)c(Cc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.113728054
3520,COCCOc1ccc(OC)c(N2CCC(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4085663
3521,COCCOc1ccc(ON2CCN(Cc3ccc(SC)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40493977
3522,COc1cc2c(cc1-c1cccc([N+](=O)O)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63652754
3523,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccccc4C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73221797
3524,COc1ccc(C2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8316503
3525,COc1ccc(OCCC(C)COc2ccc3c(c2)NC(=O)CC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.24596258
3526,COc1ccc(OCCCCSc2cc(F)ccc2C(C)=O)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07851756
3527,COc1ccc(OCCCOc2ccc(F)cc2)cc1CN1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.525374
3528,COc1ccc(OCCCc2cccc(OCC(F)(F)F)c2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.14425255
3529,COc1ccc(OCCF)cc1NS(=O)(=O)c1cccc(C(N)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.030607115
3530,COc1ccc(OCCN2CCC(Cc3ccc(SC)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.58790845
3531,COc1ccc(OCCN2CCN(c3cccc(C(C)C)c3)CC2)cc1C(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6711031
3532,COc1ccc(OCCN=S(C)(=O)O)cc1CCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.23438065
3533,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.019171908
3534,COc1ccc(OCCNC(=O)c2ccccc2)cc1CN1CCNC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.14367767
3535,COc1ccc(OCCOS(C)(=O)=O)cc1NCCc1cccc2c1CCC(=O)C2,[*]CCOc1ccc(O[*])c([*])c1,0.18347536
3536,COc1ccc(OCCS(C)(=N)=O)cc1N1CCC(Oc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.32395154
3537,COc1ccc(OCCS(C)(=O)=O)cc1C1CN(Cc2ccc(F)cc2)CCC1F,[*]CCOc1ccc(O[*])c([*])c1,0.55666345
3538,COc1ccc(OCCS(C)(=O)=O)cc1NCC1CCc2ccc(CC3CCC3)cc2C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.30745572
3539,COc1ccc(OCCS(N)(=O)=O)cc1NC(=O)COc1ccc2c(c1)CCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.044092264
3540,COc1ccc(OCCSC)cc1C(=O)Cc1ccc(OC2CCNCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.11827984
3541,COc1cccc(CN2CCN(CCCC(=O)c3ccc(-c4ccccc4)c(O)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5563207
3542,COc1cccc(CN2CCN(CCCN3CCCCC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51752394
3543,COc1cccc(N=Cc2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71123815
3544,COc1ccccc1CN1CCN(CCOc2ccc(OC)c(C(C)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.40365416
3545,COc1ccccc1N(C)C1CCN(CCN2CCN(c3ccccc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6937682
3546,Cc1cc(OCCCNCc2ccccc2)ccc1OF,[*]CCOc1ccc(O[*])c([*])c1,0.27296802
3547,Cc1cc(OCCNC(=O)c2ccc(F)cc2)ccc1ON[SH](C)(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.020579612
3548,Cc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71309686
3549,Cc1ccccc1N1CCN(CCN2CCC(C(=O)N(C)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64187706
3550,ClC1CCN(CCN2CCN(c3ccccc3-n3ccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7791726
3551,N#Cc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c(Cl)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7023111
3552,O=C1Cc2ccccc2N(c2cccc(CN3CCN(CCCCl)CC3)c2)S1(=O)=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66282606
3553,Oc1cc2c(cc1-c1c(F)cccc1F)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7372141
3554,Oc1cc2c(cc1O)C1Cc3cccc(-c4ccco4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.628649
3555,Oc1ccc2ccc(Oc3ccccc3N3CCN(CCN4CCC(OCl)CC4)CC3)cc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8243973
3556,Oc1nc2cc(F)ccc2n1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73432004
3557,CC=S(N)(O)=Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7016816
3558,CCCOc1ccc(OCN)c(CNC(=O)c2ccccc2OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.02793072
3559,CCCOc1ccc(OCNS(C)(=O)=O)c(CCCc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2520562
3560,CCCOc1ccc(OF)c(CN2CCc3cc(OC)c(OC)cc3C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2132355
3561,CCCOc1ccc(ON2CCN(C(C=O)c3ccc(F)cc3)CC2)c(NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24435925
3562,CCCOc1ccc(ON2CCN(c3ccc(Cl)cc3)CC2)c(-c2cccnc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30849853
3563,CCCOc1ccc(ONS(C)(=O)=O)c(C(=O)COc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24549992
3564,CCCOc1ccc(ONS(C)(=O)=O)c(CCCSc2ccc(C(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.069881774
3565,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCc3ccc(CC4CCC4)cc3CC2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36933574
3566,CCCOc1ccccc1CCOc1ccc(OC)c(C=S(=O)(O)O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08175129
3567,CCOc1cccc(-c2cc3c(cc2OC)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6725808
3568,CN1CCN(CCNC(=O)c2ccc(Cl)c(Cc3ccccc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.319918
3569,COC1CCN(CCN2CCN(c3ccccc3-c3cncnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7604597
3570,COC1CCN(CCN2CCN(c3ccccc3C3CCc4cc(Oc5ccccc5)ccc4C3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69217604
3571,COCCCN1CCN(Cc2cccc(-c3ccc(O)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5631806
3572,COCCOc1ccc(OC)c(CCOC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.020930152
3573,COCCc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.41134658
3574,COc1cc2c(cc1O)C1Cc3cccc(ONc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60184145
3575,COc1cc2c(cc1O)CCN1Cc3c(cccc3O[SH](C)(=O)c3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73132634
3576,COc1cc2c(cc1OC)C1Cc3cccc(CC4CCCCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66767895
3577,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1coc(O)n1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2737198
3578,COc1ccc(NC2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)cc1OC,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7803092
3579,COc1ccc(OCCC(N)=O)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6897905
3580,COc1ccc(OCCC(N)=O)cc1N1CCC(c2ccc(C(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19609025
3581,COc1ccc(OCCCS(=O)(=O)c2ccc(F)cc2)cc1OC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.05924893
3582,COc1ccc(OCCF)cc1C=CNC1CCc2cc(OC)c(OC)cc2C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.24198936
3583,COc1ccc(OCCN2CCC(C(=O)c3ccccc3OC)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5808034
3584,COc1ccc(OCCN2CCC(Oc3ccc(C(C)=O)cc3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.44788986
3585,COc1ccc(OCCN2CCC(c3ccc(Cl)cc3)CC2)cc1OCCF,[*]CCOc1ccc(O[*])c([*])c1,0.76278776
3586,COc1ccc(OCCN2CCCC(Cc3ccccc3)C2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4937211
3587,COc1ccc(OCCN2CCCCC2)cc1NS(=O)(=O)c1ccc(Cl)s1,[*]CCOc1ccc(O[*])c([*])c1,0.25543204
3588,COc1ccc(OCCN=S(C)(=O)O)cc1C(F)CCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.18012303
3589,COc1ccc(OCCN=S(C)(=O)O)cc1N1C(=O)CCc2ccc(CC3CCC3)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.19799753
3590,COc1ccc2nc(O)cc(-c3ccccc3N3CCN(CCN4CCC(C#N)CC4)CC3)c2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7057713
3591,COc1cccc(CN2CCN(CCCC(=O)C3CCc4ccccc4N3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64250046
3592,COc1cccc(CN2CCN(CCCN3CC(=O)c4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6238068
3593,COc1cccc(Cc2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6504099
3594,COc1cccc2c1CN1CCc3cc(-c4cc(F)cc(Cl)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73356056
3595,COc1cccc2c1CN1CCc3cc(-c4cccc([N+](C)=O)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61061907
3596,COc1ccccc1N1CCN(CCN2CCC(C(O)c3ccc4cccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8008409
3597,COc1ccccc1N1CCN(CCN2CCC(NC(=O)C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8183327
3598,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cnn4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8277323
3599,COc1ccccc1N1CCN(CCN2CCC(n3cnc(-c4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8502047
3600,CSCCCN1CCN(Cc2cccc(C(=O)N3c4ccccc4CC3C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6787017
3601,CSOc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC(=O)N4)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.48946056
3602,CSOc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6462311
3603,Cc1cc(OCCF)ccc1ON1CCN(C=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2197456
3604,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.64952457
3605,Cc1cc(OCCN2CCC(Oc3ccc(Br)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5141281
3606,Cc1cc(OCCN=S(C)(=O)O)ccc1ONCCc1ccco1,[*]CCOc1ccc(O[*])c([*])c1,0.020745197
3607,Cc1cc(OCCNS(=O)(=O)c2ccc(F)c(F)c2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.036365923
3608,Cc1cc(OCCNS(C)(=O)=O)ccc1ONS(=O)(=O)c1ccc(CC(N)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.017456478
3609,ClC1CCN(CCN2CCN(c3ccccc3OCC#Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.88434255
3610,FC(F)(F)CCCN1CCN(Cc2cccc(-c3cc(-c4ccccc4)no3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51653534
3611,Fc1ccc(Sc2cccc(CN3CCN(CCCOC(F)(F)F)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.71706474
3612,O=C(Cc1ccccc1)Oc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5137837
3613,O=C(Nc1cccc(CN2CCN(CCCF)CC2)c1)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.34209526
3614,O=C(O)Nc1ccccc1-c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.27372533
3615,O=C(c1ccc(F)cn1)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7007348
3616,OC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccccn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73111016
3617,Oc1cc2c(cc1C=NCc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6446533
3618,Oc1cccc2c1CN1CCc3cc(-c4ccccc4)c(Br)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6997882
3619,Oc1ccccc1N1CCN(CCN2CCC(Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69470924
3620,Oc1ccccc1N1CCN(CCN2CCC(c3ccc(C(F)(F)F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.63446444
3621,C#Cc1ccccc1-c1ccc(C(=O)NCCN2CCN(O)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33503202
3622,CCCCCN1CCN(Cc2cccc(O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6383173
3623,CCCOc1ccc(OC)c(CN2CCc3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5816758
3624,CCCOc1ccc(ON2CCNC2=O)c(-c2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28130758
3625,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCCC(CCc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24429694
3626,CCCOc1ccc(OOC)c(N2CCN(Cc3cccc(OC)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.78222847
3627,CCCOc1ccc(OOCC)c(N2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38333666
3628,CCCOc1ccc(OOS(C)(=O)=O)c(C(C)COc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08172113
3629,CCCOc1ccc(OS(C)(=O)=O)c(CN2CCC(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.52800405
3630,CCCOc1ccc(OS(C)(=O)=O)c(NCCc2ccccc2F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07936655
3631,CCCc1cn(COc2ccc(OCCOC)cc2C)nn1,[*]CCOc1ccc(O[*])c([*])c1,0.06206732
3632,CCOCCCN1CCN(Cc2cccc(N3C(=O)c4ccccc4C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.594995
3633,CCc1cc(C2CCN(c3cc(OCCS(C)(=O)=O)ccc3OC)CC2)no1,[*]CCOc1ccc(O[*])c([*])c1,0.26543677
3634,CCc1ccc(Cc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67770994
3635,CN(C)C1=CC=C(c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)C=Cc2ccccc21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52551466
3636,CNC(=O)c1cccc(CCCCN2CCN(Cc3cccc(OC)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.47729397
3637,COCCOc1ccc(ONC(=O)COc2ccccc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.020867445
3638,COOc1ccc(OCCCCF)cc1CN1CCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8023519
3639,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1cccc2c1OCO2,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.24398427
3640,COc1cc2c(cc1O)C1Cc3cccc(C4=CC=CC=CC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70994115
3641,COc1cc2c(cc1O)C1Cc3cccc(N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.85223883
3642,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccc([N+](=O)[O-])cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5110855
3643,COc1cc2c(cc1O)CCN1Cc3c(CC(=O)OCc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46223623
3644,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(CONC(C)=O)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.442172
3645,COc1cc2c(cc1O)CCN1Cc3c(cccc3C3CCC(NCc4ccccc4)CC3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59138525
3646,COc1ccc(CCOc2ccc(OC)c(N=S(C)(=O)O)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07671805
3647,COc1ccc(OCCC#N)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.83217084
3648,COc1ccc(OCCC=O)cc1N1CCC(Oc2ccc(CC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27340788
3649,COc1ccc(OCCCC(=O)c2ccc(F)cc2)cc1S(=O)(=O)Cc1ccc(NC(C)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06367446
3650,COc1ccc(OCCF)cc1CN1CCCN(C(=O)c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.089253284
3651,COc1ccc(OCCN2CCC(NC(C)=O)C2)cc1S(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.31055433
3652,COc1ccc(OCCN2CCN(c3ccc(CC(C)=O)cc3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.49104106
3653,COc1ccc(OCCN2CCOCC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16221538
3654,COc1ccc(OCCOC(C)C)cc1NC(=O)Nc1ccc(Cl)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.015278821
3655,COc1ccc(OCCS(=N)(=O)O)cc1N1CCCC(c2cccc(C)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2156159
3656,COc1ccc(OCCS(C)(=O)=O)cc1CCCCC1C=CCCc2cc(ccc2OC2C=NCC2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.25232488
3657,COc1cccc(C=Cc2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7432646
3658,COc1cccc2c1CN1CCc3cc(OCCN)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7416556
3659,COc1ccccc1C(=O)C1CCN(CCN2CCN(c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.58017135
3660,COc1ccccc1N1CCN(CCN2CCC(c3cc4ccccc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84582055
3661,COc1ccccc1N1CCN(CCN2CCC(n3c(O)cc4ncccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8142694
3662,COc1ccccc1N1CCN(Oc2ccc(OCCC#N)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.33429155
3663,CS(=O)(=O)c1cc(OCCN2CCCC(Cc3ccccc3)C2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.4331926
3664,CSOc1ccc(OCCN2CCC(NS(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6051782
3665,Cc1cc(OCCCCCCc2ccc(F)cc2)ccc1ON(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.107025854
3666,Cc1cc(OCCCNC2CCC3=CC=CC=C2CC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.18426627
3667,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)ccc1OSO,[*]CCOc1ccc(O[*])c([*])c1,0.60775274
3668,Cc1cc(OCCN2Cc3ccccc3CC(C)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.38429555
3669,Cc1cc(OCCNCC2C(=O)CCc3ccc(OCC(F)(F)F)cc32)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.21045008
3670,Cc1cc(OCCNCCc2ccc(C(F)(F)F)cc2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16018577
3671,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCCC(Oc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25615135
3672,Cc1cc2c(cc1O)CCN1Cc3c(cccc3Oc3cccc(C#N)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6179616
3673,Cc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1cccc2c1OCO2,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.21763971
3674,ClC1CCN(CCN2CCN(c3ccccc3Oc3ccc4cccnc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7801365
3675,Clc1ccccc1N1CCN(CCN2CCC(CCOCC#Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8343993
3676,Cn1nc(-c2ccccc2)cc1C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7891919
3677,Fc1ccc(-c2cccc(C3CCN(CCN4CCN(c5ccccc5C(F)(F)F)CC4)CC3)n2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72594875
3678,O=C(Cc1cc(O)nc2ccccc12)Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.34119835
3679,O=C(Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)Nc1cccc2ccccc12,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35490814
3680,O=c1ccc2cccc(-c3cccc(CN4CCN(CCCF)CC4)c3)c2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6032087
3681,Oc1cc2c(cc1-c1ccncc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7000705
3682,Oc1cccc2c1CN1CCc3cc(Cc4ccc5[nH]ccc5c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60449904
3683,C#Cc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7618666
3684,C=CCOC1CCN(CCOc2ccc(OC)c(S(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5470261
3685,CC(=O)c1ccccc1N1CCN(CCN2CCC(c3cccc(O)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6406411
3686,CC1CCN(CCCN2CCN(Cc3cccc(Cl)c3)CC2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6561598
3687,CCCOc1ccc(OCn2ccc(CCC)c2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11493925
3688,CCCOc1ccc(OF)c(N2CCC(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31952536
3689,CCCOc1ccc(ON=S(C)(=O)O)c(C2CCN(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.51129526
3690,CCCOc1ccc(OOC)c(CCN2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.90127337
3691,CCCOc1ccc(OS(C)(=O)=O)c(C2CCCC(Cc3ccc4c(c3)NC(=O)CC4)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33106562
3692,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)COc2ccc(C3CCCNC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.052628294
3693,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)c2cccc3ccoc23)c1,[*]CCOc1ccc(O[*])c([*])c1,0.026161052
3694,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(Cc3ccc(F)cc3F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28055546
3695,CCOc1cccc2c1CN1CCc3cc(OC)c(NC(=O)OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3543867
3696,CCOc1ccccc1N1CCN(CCN2CCC(Oc3ccc4nc(O)ccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7593792
3697,CNOc1ccc(OCCC=Cc2ccccc2OC2CCNCC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.18280925
3698,COC(=O)Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51489806
3699,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3c[nH]c4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.41608226
3700,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccc(-c4ccc(Cl)cc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.47053406
3701,COOc1ccc(OCCF)cc1CN1CCN(c2cccc(C(F)(F)F)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7343033
3702,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccccc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30250108
3703,COc1cc2c(cc1C=CNOCc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61750424
3704,COc1cc2c(cc1Cc1cccc(C#N)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71841604
3705,COc1cc2c(cc1O)C1Cc3cccc(CNCc4ccccc4C#N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60834825
3706,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccc([N+](=O)C(F)(F)F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6232346
3707,COc1cc2c(cc1O)C1Cc3cccc(OCc4cccc(Cl)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67064285
3708,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccn(C)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7578751
3709,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3ccc(Cl)c(Cl)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6585213
3710,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccccn4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.672269
3711,COc1cc2c(cc1OCc1cccc(Cl)c1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6581325
3712,COc1ccc(-c2cc3c(cc2C=O)CCN2Cc4c(cccc4OC)CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6471572
3713,COc1ccc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)cc1N,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.957342
3714,COc1ccc(F)cc1S(=O)(=O)NCCOc1ccc(ON2CCNCC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19051805
3715,COc1ccc(OCCC(=O)CCCc2ccccc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.068020746
3716,COc1ccc(OCCF)cc1CS(=O)(=O)c1cccc(C(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08594552
3717,COc1ccc(OCCN2CCC(COc3ccc4c(c3)NC(=O)CC4)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.6527179
3718,COc1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.52334726
3719,COc1ccc(OCCS(C)(=O)=O)cc1C1CCCC(Cc2ccc(OC3CNC(=O)C3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.12592296
3720,COc1cccc(CCc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7306863
3721,COc1cccc(CN2CCN(CCCOc3ccccc3OC)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6358953
3722,COc1cccc2c1CN1CCc3cc(C(O)c4ccc(C#N)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68942773
3723,COc1cccc2c1CN1CCc3cc(N4CCN(c5cccc(OC(F)(F)F)c5)CC4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46728024
3724,COc1ccccc1N1CCCN(CCCOc2ccc(OC(C)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7682132
3725,COc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3cc4ccccc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80881435
3726,COc1ccccc1N1CCN(CCN2CCC(n3nccc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8602627
3727,CSOc1ccc(OCCN2CCCC(Oc3ccc(Cl)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.44355127
3728,Cc1cc(OCCC=CCOc2ccc3c(c2)NC(=O)CC3)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.21090482
3729,Cc1cc(OCCF)ccc1ON1CCCC(S(=O)(=O)c2cccc(F)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.30949512
3730,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCC4)CC2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6350305
3731,Cc1cc(OCCN2CCC(Cc3ccccc3)CC2)ccc1OS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.56736016
3732,Cc1cc(OCCN2CCN(Cc3ccc(F)c(S(C)(=O)=O)c3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.33384705
3733,Cc1cc(OCCNS(=O)(=O)c2cccc(C(C)C)c2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.06219199
3734,Cc1cc2c(cc1O)CCN1Cc3c(cccc3[N+](=O)[O-])CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50245386
3735,ClCCCN1CCN(Cc2cccc(-c3ncc(-c4ccccc4)o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.52261436
3736,N#CCCCN1CCN(Cc2cccc(-c3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.76647335
3737,O=C(NCCCCN1CCN(Cc2cccc(F)c2)CC1)c1cc2ccccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6125122
3738,O=C1CC(=O)N(c2cccc(CN3CCN(CCCF)CC3)c2)C(c2ccccc2)=N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6185731
3739,O=[N+]([O-])C1CCN(CCN2CCN(c3ccccc3-n3cc(-c4ccccc4)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6007672
3740,O=c1ccn(C2CCN(CCN3CCN(c4ccccc4OC(F)(F)F)CC3)CC2)cc1F,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80148226
3741,Oc1cc2c(cc1Oc1cccnc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7465721
3742,Oc1cc2ccccc2n1-c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60617167
3743,Oc1ccc(-c2ccccc2N2CCN(CCN3CCC(Br)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77785444
3744,Oc1ccc(C2CCN(CCN3CCN(c4ccccc4OC(F)(F)F)CC3)CC2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8270815
3745,Oc1nc2cc(Oc3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)ccc2s1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7970272
3746,Oc1nc2ccccc2cc1-c1ccccc1N1CCN(CCN2CCC(O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7189016
3747,CC(=O)Oc1ccc(OCCN2CCN(c3ccccc3OCCF)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6520373
3748,CC(N)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.722705
3749,CC1(C(=O)NCc2cccc(CN3CCN(CCCCl)CC3)c2)CCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5200782
3750,CCCC(=O)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6070013
3751,CCCOc1ccc(OCF)c(CN2CCN(c3ccc(OC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7629994
3752,CCCOc1ccc(ON=O)c(CN2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7517811
3753,CCONc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62850463
3754,CN(C)C(=O)Nc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.33727476
3755,CNCCOc1ccc(OC)c(N2CCCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30846718
3756,COC(=O)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54385835
3757,COC1CCN(CCN2CCN(c3ccccc3-n3c(O)nc4cccc(F)c43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7932818
3758,COC1CCN(CCN2CCN(c3ccccc3-n3cccc3C=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66918945
3759,COC1CCN(CCN2CCN(c3ccccc3C(O)c3cc(O)nc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.693666
3760,COC1CCN(CCN2CCN(c3ccccc3CNCC3CCc4ccc(O)cc4O3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7179013
3761,COOc1ccc(OCCNC(=O)CCc2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.022146167
3762,COc1cc(C(=O)NCCN2CCN(O)CC2)ccc1-c1cccc(C)c1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.22658978
3763,COc1cc2c(cc1-c1c[nH]c3ccccc13)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7177793
3764,COc1cc2c(cc1-c1ccc(C)cc1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6686291
3765,COc1cc2c(cc1CCO)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.86528176
3766,COc1cc2c(cc1O)CCN1Cc3c(Cc4cc5ccccc5[nH]4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72872543
3767,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc(C#N)c5ccccc45)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76997524
3768,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cc(CO)ccc3[N+](=O)[O-])CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5194766
3769,COc1cc2c(cc1O)CCN1Cc3c(cccc3Oc3ccc(C#N)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7790848
3770,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc(OC(F)(F)F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7378599
3771,COc1ccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2O)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31729707
3772,COc1ccc(CNC(=O)c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5328116
3773,COc1ccc(Cl)cc1S(=O)(=O)C1CCN(CCN2CCN(c3ccccc3OC(C)C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76129764
3774,COc1ccc(OCCC=O)cc1NCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.09936449
3775,COc1ccc(OCCCCCc2ccccc2)cc1CN1CCN(C(C)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20500089
3776,COc1ccc(OCCCOc2ccc(F)cc2)cc1CN1SCNC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.15205972
3777,COc1ccc(OCCN2CCC(Nc3cc(F)ccc3C(C)=O)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.43432385
3778,COc1ccc(OCCN2CCCC(c3ccccc3OC)C2)cc1C(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4822118
3779,COc1ccc(OCCN2CCCCC2)cc1S(=O)(=O)Nc1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.26243114
3780,COc1ccc(OCCN=S(C)(=O)O)cc1CCCc1ccc2c(c1)OC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.24225156
3781,COc1ccc(OCCNC(=O)CCc2ccc3c(c2)NC(=O)CC3)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.0633217
3782,COc1ccc(OCCNC(C)=O)cc1N1CCCC(c2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.18458918
3783,COc1ccc(OCCOS(C)(=O)=O)cc1CN1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.41225508
3784,COc1ccc(OCCS(C)(=O)=O)cc1C1CCC1Cc1ccc(OC2CCCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.13670701
3785,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(C2(C)CCCC2)=CC=C2C=CC(CC1)O2,[*]CCOc1ccc(O[*])c([*])c1,0.27515274
3786,COc1ccc(OCCS(N)(=O)=O)cc1NCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06718003
3787,COc1cccc(C2CCN(CCN3CCN(c4ccccc4OC(F)(F)F)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.86499274
3788,COc1cccc(CC2CCN(CCOc3ccc(OSC)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6302829
3789,COc1cccc(CCCN2CCN(Cc3cccc(CNC(=O)c4ccc5ccccc5c4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4659199
3790,COc1cccc(CN2CCN(CCCCC(=O)c3nc4ccccc4s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58163387
3791,COc1cccc(CN2CCN(CCCc3ccc4oc(=O)ccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6326581
3792,COc1ccccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1[N+](=O)F,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3965559
3793,COc1ccccc1C1CCN(COc2ccc(OCCN=S(C)(=O)O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3532047
3794,CSOc1ccc(OCCNC(=O)COc2ccc3c(c2)CCCC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.039930724
3795,CSc1ccc(C2(O)CCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.40539232
3796,Cc1cc(OCCC(O)COc2ccc3ccccc3c2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.056483764
3797,Cc1cc(OCCCN=S(C)(=O)O)ccc1ON1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.16501693
3798,Cc1cc(OCCF)ccc1OCN1CCC(C(=O)N2c3ccccc3CC2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.35513
3799,Cc1cc(OCCN2CCN(CCc3ccccc3)CC2)ccc1OS,[*]CCOc1ccc(O[*])c([*])c1,0.58311445
3800,Cc1cc(OCCN2CCN(Cc3ccc4c(c3)CCC(=O)N4)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.39169607
3801,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cc(O)nc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.59361696
3802,FC(F)(F)c1ccccc1N1CCN(CCN2CCC(c3ccccc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8507306
3803,Fc1ccc(-c2cncc(C3CCN(CCN4CCN(c5ccccc5Cl)CC4)CC3)n2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7772566
3804,O=C(NCCCCN1CCN(Cc2cccc(Cl)c2)CC1)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.675453
3805,O=C(NCCN1CCN(F)CC1)c1ccc(F)c(-c2ccc(F)cc2)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.38327736
3806,O=Cc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7198259
3807,Oc1cc2c(cc1Cc1ccc3ccccc3c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7400185
3808,C=Cc1ccccc1C1CCN(CCCOc2ccc(OC)c(OS(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.708294
3809,C=S(O)c1cc(OCCN2CCC(Cc3ccc4ccccc4c3)CC2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.5959805
3810,CC(=O)OOc1ccc(OCCN2CCC(Cc3ccc4ccccc4c3)NC2=O)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.15737194
3811,CC(=O)c1ccc(F)cc1S(=O)(=O)NCCOc1ccc(ON)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.01560746
3812,CCCCN1CCN(Cc2cccc(OCC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5715156
3813,CCCOc1ccc(OC)c(CN2CCC(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.42384246
3814,CCCOc1ccc(OCNc2ccc(F)cc2)c(-c2ccc(OC)nc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05593645
3815,CCCOc1ccc(OCSCC)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09991012
3816,CCCOc1ccc(ONS(C)(=O)=O)c(N2C=CC(=O)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09460705
3817,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCC(Cc3ccc4c(c3)NC(=O)CCS4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2962769
3818,CCCOc1ccc(OS(=O)(=O)c2ccc(F)cc2)c(N2CCC(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20834698
3819,CCOCCOc1ccc(OCN2CCN(c3ccccc3OC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.655153
3820,COC(=O)c1cccc(Cc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43376967
3821,COC1CCN(CCN2CCN(c3ccccc3-c3ccc4ccc(O)cc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7586907
3822,COCCOc1ccc(OCN2CCN(c3ccc(F)cc3OC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5324453
3823,COCc1cccc2c1CN1CCc3cc(OC)c(C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74788207
3824,COOc1ccc(OCCCC2CCc3ccc(C(C)=O)cc3C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.22354531
3825,COc1cc2c(cc1C(=O)Nc1ccc(C)cc1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3131804
3826,COc1cc2c(cc1C(=O)c1cccc(Cl)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5063731
3827,COc1cc2c(cc1O)CCN1Cc3c(CNCc4ccncc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.653474
3828,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(OCc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67898154
3829,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(cccc3C(=O)OCc3ccc(C)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4355177
3830,COc1ccc(C#Cc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8262473
3831,COc1ccc(C2CCN(CCN3CCN(c4ccccc4C(C)C)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7441412
3832,COc1ccc(COc2cc3c(cc2OC)C2Cc4cccc(-c5ccc(OC)cc5OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.642285
3833,COc1ccc(OCCC(CCc2ccc3c(c2)NC(=O)CC3)OC)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.183131
3834,COc1ccc(OCCCO)cc1N1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.37958547
3835,COc1ccc(OCCCc2ccc(F)cc2)cc1C(=O)NC1CCN(C(C)=O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.1534963
3836,COc1ccc(OCCF)cc1NS(=O)(=O)c1ccccc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.077079974
3837,COc1ccc(OCCN2CCC(c3ccccc3)CC2)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.72535545
3838,COc1ccc(OCCN2CCC(c3noc4ccccc34)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.74925905
3839,COc1ccc(OCCNC(=O)c2ccccc2)cc1CN1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29256323
3840,COc1cccc(CC(C)CCOc2ccc(ON=S(C)(=O)O)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.037730303
3841,COc1cccc(CN2CCN(CCCCc3cc(=O)c4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66751134
3842,COc1cccc(CN2CCN(CCCCc3cccc(-c4ccco4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.626111
3843,COc1cccc2c1CN1CCc3cc(-c4cccc(C#N)c4)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5895488
3844,COc1cccc2c1CN1CCc3cc(-c4cccc5cccc(O)c45)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6729019
3845,COc1cccc2c1CN1CCc3cc(CC4CC4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72266424
3846,COc1cccc2cc(C(=O)NCc3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)oc12,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7066626
3847,COc1ccccc1-c1cc(C(=O)NCCN2CCN(C(C)=O)CC2)ccc1F,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2235126
3848,COc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84740174
3849,COc1ccccc1N1CCN(CCN2CCC(OCc3ccc4c(c3)CCC(=O)N4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8066447
3850,COc1ccccc1N1CCN(CCN2CCC(n3cc(C)ccc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8198638
3851,COc1ccccc1N1CCN(CCNC(=O)c2ccc(OC)c(S(C)(=O)=O)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.9092985
3852,CSOc1ccc(OCCNC(=O)c2cccc(C3CCCCN3)c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.04481499
3853,CSOc1ccc(OCCNCCCc2ccc3c(c2)NC(=O)CO3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.20596002
3854,Cc1cc(OCCN2CCC(Cc3ccc(Br)cc3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.55064535
3855,Cc1cc(OCCNS(C)(=O)=O)ccc1OCC(=O)Cc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.105102874
3856,Cc1ccccc1N1CCN(CCN2CCC(CNC(=O)Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5427114
3857,ClCCCN1CCN(Cc2cccc(Sc3cc4ccccc4s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68535167
3858,Clc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.75664824
3859,Fc1ccc(-c2ccc(C3CCN(CCN4CCN(c5ccccc5C(F)(F)F)CC4)CC3)nc2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7500859
3860,Fc1cnc(C2CCN(CCN3CCN(c4ccccc4OC(F)(F)F)CC3)CC2)nc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83427656
3861,NC(=O)c1ccc2cc(CCCN3CCN(Cc4cccc(Cl)c4)CC3)ccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60967
3862,O=C(NCCN1CCN(O)CC1)c1ccc(F)c(-c2ccccc2)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.4245319
3863,O=C(Nc1ccc(Cl)cc1Cl)Oc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3344679
3864,O=C(c1ccc(F)cc1)C1CCN(CCN2CCN(c3ccccc3OCC3CCOC3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64764446
3865,O=N[N+]([O-])c1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46845382
3866,Oc1cc2c(cc1-c1ccnc3ccccc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6374086
3867,Oc1cc2c(cc1O)C1Cc3cccc(C=Nc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71368885
3868,Oc1nc(-c2ccccc2)cn1C1CCN(CCN2CCN(c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66436356
3869,CC(=O)c1ccc(CCCCOc2ccc(ON3CCN(C)CC3)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.15695772
3870,CC(C)Oc1ccccc1N1CCN(CCN2CCC(Nc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8023913
3871,CC(C)c1ccccc1N1CCN(CCN2CCC(c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7451394
3872,CCCOc1ccc(OCCCc2ccccc2)c(N2CCCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21109924
3873,CCCOc1ccc(ON=S(C)O)c(NCCc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1646299
3874,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3ccc4c(c3)NC(COC)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.41843164
3875,CCCOc1ccc(OS(C)(=O)=O)c(N2CCN(CCCc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8092176
3876,CCCOc1ccc(OS(C)(=O)=O)c(NC2CCN(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.50626504
3877,CCCOc1ccc(OS(C)(=O)=O)c(NCC2CCC(O)c3cc(C(C)=O)ccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23757584
3878,CCCOc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82718533
3879,CCOc1ccccc1N1CCCN(Oc2ccc(OCCOC)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27843058
3880,CCc1ccccc1C1CCN(c2cc(OCCS(C)(=O)=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2864442
3881,CN(C)C(=O)Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39722177
3882,CNC(=O)CCOc1ccc(OC)c(N2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19544514
3883,COC1CCN(CCN2CCN(c3ccccc3COc3ccc4nc(O)ccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71562016
3884,COCCCN1CCN(Cc2cccc(-c3cccc4c3-c3ccccc3S4(=O)=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49883917
3885,COCCCN1CCN(Cc2cccc(CNC(=O)C=Cc3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4889634
3886,COCCOc1ccc(OC)c(CN2CCN(C(=O)Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1269628
3887,CON1CCN(CCNC(=O)c2ccc(O)c(-c3ccc(Cl)cc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3365784
3888,COOc1ccc(OCCN2CCC(Oc3ccc(C)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.47135663
3889,COc1cc2c(cc1O)C1Cc3cccc(-c4ccccc4C#N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6723063
3890,COc1cc2c(cc1O)C1Cc3cccc(-c4ccccc4C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59226656
3891,COc1cc2c(cc1O)C1Cc3cccc(NC(=O)Nc4ccccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3902886
3892,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccc(OC#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7323261
3893,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(O)c3cccc(C#N)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7097786
3894,COc1cc2c(cc1OC)C1Cc3cccc(-c4c(C#N)ccc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6639326
3895,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)OCc4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46573803
3896,COc1cc2c(cc1OC)C1Cc3cccc(CNc4cccc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4834523
3897,COc1ccc(C)c(-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6257077
3898,COc1ccc(NC(=O)Nc2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.30273163
3899,COc1ccc(OCCC(=O)Cc2ccccc2)cc1CN1CCC(Nc2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.37457487
3900,COc1ccc(OCCCCNC(=O)c2ccccc2C)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.03096818
3901,COc1ccc(OCCCN2Cc3cc(CC(C)C)ccc3CC2=O)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.17475078
3902,COc1ccc(OCCN2CCC(C(=O)c3cccc(SC)c3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.560474
3903,COc1ccc(OCCN2CCC(S(C)(=O)=O)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6262839
3904,COc1ccc(OCCN2CCCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.25426522
3905,COc1ccc(OCCN=S(C)(=O)O)cc1N1C(=O)CCc2ccc(CC3CCCCC3)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.16215889
3906,COc1ccc(OCCS(N)(=O)=O)cc1N1CCCC(Cc2ccc(OC3CCCC3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.19123472
3907,COc1ccc(OCC[SH](C)(N)=O)cc1N1CCC(Oc2ccc(C3CNC(=O)C3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20575027
3908,COc1cccc(CN2CCN(CCCCN3C(=O)CCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7731153
3909,COc1cccc(CN2CCN(CCCc3cccc4cc(C(N)=O)oc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48043975
3910,COc1cccc2c1CN1CCc3cc(-c4cccc(O[N+](=O)C(F)(F)F)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5424631
3911,COc1ccccc1-c1cc(C(=O)NCCN2CCN(O)CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35951224
3912,COc1ccccc1CN1CCN(CCCOc2ccc(OS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5380445
3913,COc1ccccc1N1CCN(CCN2CCC(c3cc(N)nc4cc(C)ccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70536745
3914,COc1ccccc1N1CCN(CCN2CCC(c3ccnc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76191497
3915,Cc1cc(OCCN2CCC(Oc3ccc(C(N)=O)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.40461913
3916,Cc1cc(OCCNCCc2ccc(F)cc2)ccc1ON1CCN(S(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.17813274
3917,Cc1cc(OCCNS(=O)(=O)Cc2cccc(C(C)C)c2)ccc1ON1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.13313077
3918,Cc1cc(OCCNS(C)(=O)=O)ccc1ONS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.05520175
3919,Cc1ccccc1N1CCN(CCN2CCC(c3cccc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6788494
3920,ClC1CCN(CCN2CCN(c3ccccc3NCc3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5099651
3921,Clc1cccc(CN2CCN(CCCc3coc(C=Cc4ccccc4)n3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64226687
3922,FC(F)(F)OCCCN1CCN(Cc2cccc(-c3cc4ccccc4s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6835758
3923,O=C(Cc1ccccc1)Nc1cccc(CCCN2CCN(Cc3cccc(F)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.30745316
3924,O=C1c2ccccc2SCN1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5075922
3925,O=S(=O)(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1ccc2cccnc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5455475
3926,Oc1cc2c(cc1Cl)C1Cc3cccc(-c4cccs4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6668162
3927,Oc1ccc2c(OC3CCN(CCN4CCN(c5ccccc5C(F)(F)F)CC4)CC3)cccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7937075
3928,CC1=C2C=CC=CC=C1NC=CC(c1cc3c(cc1Cl)C1Cc4cccc(O)c4CN1CC3)=C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48313838
3929,CC1CCc2ccccc2N1Cc1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7434715
3930,CC1Cc2ccccc2N1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6563893
3931,CCCCN1CCN(Cc2cccc(-c3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65627426
3932,CCCCN1CCN(Cc2cccc(C(=O)C3Nc4ccccc4C(=O)N3c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.41270143
3933,CCCCc1ccccc1OOc1ccc(OCCC)cc1NC,[*]CCOc1ccc(O[*])c([*])c1,0.1555992
3934,CCCOC(=O)C1CCN(CCOc2ccc(OC)c(S(N)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.40025645
3935,CCCOc1ccc(OC#N)c(N2CCCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33930582
3936,CCCOc1ccc(OCN2CCC(c3ccc(F)cc3)CC2)c(OCC=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5479099
3937,CCCOc1ccc(OCl)c(N2CCCC(Cc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3075121
3938,CCCOc1ccc(OOS(C)(=O)=O)c(NC(=O)COc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0074107004
3939,CCCOc1ccc(OS(C)(=O)=O)c(C(CC)COc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23651575
3940,CCCOc1ccc(OS(C)(=O)=O)c(CCc2ccc(Cl)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09071995
3941,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(Cc3ccc(OC4CCCSC4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14954168
3942,CCCc1cn(Oc2ccc(OCCOC)cc2C)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.09305061
3943,CCOC1CCN(CCN2CCN(c3ccccc3Oc3ccc4nc(O)ccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75898856
3944,CCOCCCN1CCN(Cc2cccc(CN3C(=O)C(O)C=C3c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.42977664
3945,CCc1cc2c(cc1OC)C1Cc3cccc(-c4ccccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6518865
3946,CCc1cccc2c1CN1CCc3cc(OC)c(OCc4ccc(OC)cc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7121259
3947,CNC1CCc2c(cccc2OCCOc2ccc(OCCN=S(C)(=O)O)cc2C)C1,[*]CCOc1ccc(O[*])c([*])c1,0.46417686
3948,CNOc1ccc(OCCCCCOc2ccc(C)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.074064635
3949,COC(=O)Cc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46981922
3950,COC1CCN(CCN2CCN(c3ccccc3CCOc3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7739434
3951,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3cc4ccc(O)cc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6724497
3952,COCCCN1CCN(Cc2cccc(-c3cc4ccccc4s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5665773
3953,COCCCN1CCN(Cc2cccc(C(=O)N=CC3Nc4ccc(F)cc4C(=O)N3c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49884203
3954,COCCCN1CCN(Cc2cccc(CNS(=O)(=O)c3ccc4cc(OC)ccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.36018014
3955,COCc1cc(OCCN2CCC(c3ccccc3)CC2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.74187404
3956,CON1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(-c3ccccc3[N+](=O)[O-])c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.34535962
3957,COc1cc2c(cc1C(=O)OCc1ccc(C)cc1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3482453
3958,COc1cc2c(cc1O)CCN1Cc3c(Cc4cccc([N+](=O)C(C)=O)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4485886
3959,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3cccnc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.717542
3960,COc1cc2c(cc1OC)C1Cc3cccc(OCc4ccc(S(C)(=O)=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50389814
3961,COc1cc2c(cc1OC)CN(COc1ccc(OCCF)cc1C)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.4898843
3962,COc1ccc(CNCCOc2ccc(ON3CCNCC3)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.24274686
3963,COc1ccc(OCCN2CCC(=O)C(C)(Cc3ccc(F)cc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.33991787
3964,COc1ccc(OCCN2CCC(c3ccccc3)CC2)cc1OS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.7257006
3965,COc1ccc(OCCN2CCC(c3ccccc3OC3CC3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6536163
3966,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(c2ccc(CCF)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22202095
3967,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1N1CCC(C(N)=O)CS1,[*]CCOc1ccc(O[*])c([*])c1,0.14865349
3968,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(COc2cc3c(cc2F)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27677
3969,COc1ccc(OCCN[SH](C)(C)=O)cc1N1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.23607834
3970,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Oc2ccc(C(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28567338
3971,COc1ccc(OCCS(C)(=O)=O)cc1NC(=O)Cc1ccc(C2CCNCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.03884277
3972,COc1cccc2c1CN1CCc3cc(C)c(OCc4cccc(C#N)c4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62919545
3973,COc1cccc2c1CN1CCc3cc(Nc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5424183
3974,COc1ccccc1N1CCCN(COc2ccc(OCCOCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5619166
3975,COc1ccccc1N1CCN(CCN2CCC(COc3cc4ccccn4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.697664
3976,COc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4cccs4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.89105064
3977,Cc1cc(OCCF)ccc1OC=COc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.23726068
3978,Cc1cc(OCCNCCc2ccc(OC3CCCNC3)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16317602
3979,Cc1cc(OCCNCCc2ccccc2)ccc1OCNS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.20068844
3980,Cc1cc(OCCNCc2ccc(F)cc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16076773
3981,Cc1cc(OCCNCc2ccccc2)ccc1ON1CCN(C)S(=O)(=O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2724121
3982,Cc1cc(OCCNS(=O)(=O)c2cccc(C(C)C)c2)ccc1OCN(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.06790593
3983,ClC1CCN(CCN2CCN(c3ccccc3-c3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79314727
3984,Fc1ccccc1N1CCN(CCN2CCC(Nc3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7401979
3985,O=C(NCCN1CCN(F)CC1)c1ccc(F)c(-c2ccccn2)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.44637287
3986,Oc1ccc2c(C3CCN(CCN4CCN(c5ccccc5F)CC4)CC3)cccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68091017
3987,Oc1cccc(CN2CCN(CCCc3cc(-c4ccccc4)co3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61700255
3988,Oc1cccc2c1CN1CCc3cc(Br)c(F)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78278995
3989,CC1(CCCCN2CCN(Cc3cccc(F)c3)CC2)Cc2ccccc2NC1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5659648
3990,CCC(=O)Nc1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.268057
3991,CCC(=O)Oc1cc2c(cc1C)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47556293
3992,CCCOc1ccc(OC(=O)O)c(N2CCC(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23822285
3993,CCCOc1ccc(OC(F)(F)F)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.85921395
3994,CCCOc1ccc(OCN2CCC(c3ccccc3OCC)CC2)c(C(=O)O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4925862
3995,CCCOc1ccc(OCl)c(CNS(=O)(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07335409
3996,CCCOc1ccc(ON)c(CN2CCN(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.57542235
3997,CCCOc1ccc(OS(C)(=O)=O)c(CCOc2ccccc2C(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14183003
3998,CCCOc1ccc(OS(N)(=O)=O)c(C=CCOc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25865117
3999,CCCc1ccn(CCCOc2ccc(OC)c(NS(C)(=O)=O)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10288117
4000,CCONc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47414646
4001,CCOc1ccccc1N1CCN(CCOc2ccc(OC(C)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6003789
4002,COC(=O)c1ccc(-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46092165
4003,COC1CCN(CCN2CCN(c3ccccc3C(=O)C3CCc4ccccc4C3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.655269
4004,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc(CNC(C)=O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85839385
4005,COCCCN1CCN(Cc2cccc(N3CC(C)N(c4ccccc4)C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60050535
4006,CON1CCN(CCNC(=O)c2ccc(C)c(-c3ccc(C)c(C)c3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.22863245
4007,COc1cc(C(=O)NCCN2CCN(O)CC2)ccc1-c1cccc(Cl)c1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26904008
4008,COc1cc2c(cc1O)CCN1Cc3c(cccc3N[SH](C)(=O)c3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47316542
4009,COc1cc2c(cc1[N+](C)=O)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7158549
4010,COc1ccc(-c2cccc(OCc3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)c2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.729775
4011,COc1ccc(C(=O)C2CCN(Oc3ccc(OCCF)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.12637521
4012,COc1ccc(OCCC(=O)COc2ccccc2)cc1CN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.18434682
4013,COc1ccc(OCCC(N)=O)cc1CC(=O)Nc1ccc2ccccc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.0055600624
4014,COc1ccc(OCCF)cc1N1CCC(NS(=O)(=O)c2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2795569
4015,COc1ccc(OCCN2CCC(c3ccc(OCC(F)(F)F)cc3)CC2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6495943
4016,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21577679
4017,COc1ccc(OCCNC(=O)c2ccccc2)cc1CN1CCCC(S(=O)(=O)c2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.1622872
4018,COc1ccc(OCCNS(=O)(=O)c2cc(C(C)C)ccc2F)cc1C1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.14374997
4019,COc1ccc(OCCNS(=O)(=O)c2cc(C(C)C)ccc2OC)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06593981
4020,COc1ccc(OCCS(=O)(=O)c2ccccc2C(F)(F)F)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08428684
4021,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Cc2ccc3c(c2)NC(=O)CCC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.34047863
4022,COc1ccc(OCCSC)cc1CNC(=O)c1ccccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.029589448
4023,COc1ccc(OCCSC)cc1NC(=O)c1ccc(CCCF)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.035298206
4024,COc1ccc2c(c1)CC(CNCCOc1ccc(OSC)c(C)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.2805739
4025,COc1cccc(CN2CCN(CCCC3(C(=O)O)CCCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5209819
4026,COc1cccc(CN2CCN(CCCc3cc(C(N)=O)cc4ccccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53441596
4027,COc1cccc(CN2CCN(CCCc3ccc4c(c3)OCC(=O)N4)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.603178
4028,COc1cccc(CN2CCN(CCCc3cccc4c3NC(=O)C(C)O4)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.574028
4029,COc1cccc2c1CN1CCc3cc([N+](=O)c4ccc(C#N)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61952126
4030,COc1ccccc1N1CCN(CCN2CCC([N+](=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.762107
4031,COc1cccn1C1CCN(CCN2CCN(c3ccccc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6728154
4032,CSOc1ccc(OCCN2CCC(c3ccc(S(C)(=O)=O)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.58948064
4033,CSc1cc2c(cc1O)CCN1Cc3c(Cc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65961826
4034,Cc1cc(OCCCN2CCCC(Cc3ccccc3)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.48801896
4035,Cc1cc(OCCF)ccc1OCNCC1CCc2ccc(O)cc2O1,[*]CCOc1ccc(O[*])c([*])c1,0.53784263
4036,Cc1cc(OCCNC(=O)c2ccc(F)cc2)ccc1OCN1C=CC(S(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.07915489
4037,Cc1cc(OCCNS(=O)(=O)Cc2ccc(F)c(F)c2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.0830124
4038,Cc1cc(OCCc2ccc(F)cc2)ccc1ON1CCNC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.1772806
4039,Cc1ccc(OCCOc2ccc(OCCN=S(C)(=O)O)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07115942
4040,FC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccccc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7367991
4041,N#Cc1ccc(CNC2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8020355
4042,N#Cc1cccc(Nc2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49759907
4043,O=C(NCc1cccc(CN2CCN(CCC[N+](=O)[O-])CC2)c1)C1CCCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5154098
4044,O=C(Nc1ccccc1Br)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3767726
4045,O=C1c2ccccc2CN1SCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5993208
4046,O=S(CCCN1CCN(Cc2cccc(Cl)c2)CC1)c1cccs1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6175374
4047,O=S(O)(O)=Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58352745
4048,Oc1cc(-c2ccccc2)nn1-c1ccccc1N1CCN(CCN2CCC(C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7663723
4049,Oc1cc2c(cc1O)C1Cc3cccc(NC4CCCCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44594744
4050,Oc1cnc2cc(Oc3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)ccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70117325
4051,CC(=O)c1ccc(CC2CCCN(Oc3ccc(OCCNS(C)(=O)=O)cc3C)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.08602529
4052,CC(C)Oc1ccccc1N1CCN(Cc2cc(OCCF)ccc2ONCS(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6689408
4053,CCCOc1ccc(OCNS(C)(=O)=O)c(CN2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.47353947
4054,CCCOc1ccc(ON2CCC(C(=O)c3ccccc3OC)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1785258
4055,CCCOc1ccc(ONS(C)(=O)=O)c(NS(=O)(=O)Cc2ccc(CC(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08440433
4056,CCCOc1ccc(OS(C)(=O)=O)c(NCC2CCCc3ccc(OCC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29165596
4057,CCCOc1ccc(OS(N)(=O)=O)c(NC2CCC(Nc3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17282295
4058,CCOC(=O)CCOc1ccc(OCN2CCC(Cc3ccc(S(C)(=O)=O)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20541534
4059,CCOc1ccc(F)cc1C(=O)N1CCCC(CCOc2ccc(OC)c(SC(N)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.07711525
4060,CCOc1ccccc1N1CCN(CCN2CCC(c3cc(O)nc4cc(F)ccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7449738
4061,COC(=O)C1CCN(Cc2cc(OCCNC(=O)c3ccccc3)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.33436945
4062,COC=Cc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.83009607
4063,COCCCN1CCN(Cc2cccc(CN3C(=O)C(=O)c4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51258475
4064,COc1c(C)cccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26042843
4065,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccccc1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33485222
4066,COc1cc(C(=O)NCCN2CCN(c3ccccc3[N+](=O)[O-])CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.6600066
4067,COc1cc2c(cc1-c1c(OC)cccc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.81496817
4068,COc1cc2c(cc1CNS(=O)(=O)c1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5120855
4069,COc1cc2c(cc1O)C1Cc3cccc(NCc4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4487314
4070,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc([N+](=O)[O-])cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5242044
4071,COc1ccc(OCCC(C)=O)cc1Cc1ccc(C(C)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.025786886
4072,COc1ccc(OCCC2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3127959
4073,COc1ccc(OCCCCCc2ccccc2)cc1S(=O)(=O)N(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.13179268
4074,COc1ccc(OCCCF)cc1NC1CCN(S(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2126427
4075,COc1ccc(OCCCN2CC=C(c3ccccc3)CC2)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.6923224
4076,COc1ccc(OCCF)cc1CN1CCC(S(=O)(=O)c2ccccc2C(N)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.39494026
4077,COc1ccc(OCCN2CCC(c3ccccc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.7655133
4078,COc1ccc(OCCN2CCC(c3ccccc3C)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5158266
4079,COc1ccc(OCCN2CCCC2=O)cc1NS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.109446205
4080,COc1ccc(OCCN2CCN(CCc3ccc(F)cc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.54670787
4081,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1CN1CCC(SCc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19520262
4082,COc1ccc(OCCNC(C)=O)cc1N1CCC(C(=O)c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22654217
4083,COc1ccc(OCCNS(=O)(=O)c2ccc(F)cc2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.050939523
4084,COc1ccc(OCCOS(C)(=N)=O)cc1N1CCC(c2ccccn2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23634674
4085,COc1ccc(OCCS(C)(=O)=O)cc1C1CCC(CN2CCC(C(F)(F)F)CC2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.47122797
4086,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Oc2ccc(C3CCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.30397722
4087,COc1ccc2c(c1)CN(Cc1cc(OCCS(C)(=O)=O)ccc1OC)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.47308555
4088,COc1ccc2nc(Oc3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)ccc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7163261
4089,COc1cccc(C(=O)Nc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c1OC,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.394005
4090,COc1cccc(CNC(=O)c2cccc3c2CN2CCc4cc(O)c(Cl)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45016775
4091,COc1cccc(COc2cc3c(cc2OC)CCN2Cc4c(cccc4C(C)C)CC32)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.690547
4092,COc1cccc(NC(=O)CCCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.28229144
4093,COc1ccccc1CCCN1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.34684756
4094,COc1ccccc1N1CCN(CCN2CCC(Cc3ccc4c(Cl)nc(-c5ccccc5)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7932486
4095,COc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3ccc4ncccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8012384
4096,COc1ccccc1N1CCN(CCNC(=O)c2ccc(N)c(C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.913339
4097,CSc1cc2c(cc1C)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70166194
4098,Cc1cc(OCCN2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.6783538
4099,Cc1cc(OCCNS(=O)c2ccccc2C(C)C)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08679452
4100,Cc1cc(OCCOS(C)(=O)=O)ccc1OCCN1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.57001793
4101,Cc1cccc2c1CN1CCc3cc(C#Cc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60952044
4102,Cc1ccccc1Cc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75602627
4103,ClCCCN1CCN(Cc2cccc(-c3ccc(-c4ccccc4)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6935653
4104,Clc1cccc(CN2CCN(CCCCc3coc(-c4ccccc4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.71313506
4105,N#Cc1cccc(NCc2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5308326
4106,O=C(NCCCCN1CCN(Cc2cccc(Cl)c2)CC1)C1CCCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6345021
4107,O=C(NCCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)c1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40998596
4108,O=C1Cc2ccccc2C(O)(c2cccc(CN3CCN(CCCF)CC3)c2)N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.660603
4109,Oc1cccc2c1CN1CCc3cc(Cc4cccc(OC(F)(F)F)c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59527004
4110,Oc1cccc2c1CN1CCc3cc(F)c(-c4cccs4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79029995
4111,CC(=O)NOc1ccc(OCCN2CCCC(Cc3ccccc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.2733809
4112,CC(=O)c1ccccc1N1CCN(CCN2CCC(c3ccco3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5720879
4113,CCCNC(=O)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5083962
4114,CCCOc1ccc(ON2CCCCC2)c(N2CCC(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20605043
4115,CCCOc1ccc(ON2CCN(C(C)=O)c3ccccc3C2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11312922
4116,CCCOc1ccc(OOC=O)c(N2CCN(c3ccccc3C(C)C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25093102
4117,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20567955
4118,CCCS(=O)(=O)c1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7211992
4119,CCNCCOc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6739554
4120,CCOc1ccccc1N1CCN(CCCOc2ccc(ON=S(C)(=O)O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.698399
4121,CCc1ccc(OC2CCN(CCOc3ccc(OC)c(NS(C)(=O)=O)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.5171163
4122,CCc1ccccc1OC1CCN(Oc2ccc(OCCN=S(C)(=O)O)cc2C)C1,[*]CCOc1ccc(O[*])c([*])c1,0.16850239
4123,CNOc1ccc(OCCN2CCC(C(=O)c3ccc(SC)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.47379813
4124,CNS(=O)(=O)CCOc1ccc(OC)c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2545613
4125,CNc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.55552685
4126,COC1CCN(CCN2CCN(c3ccccc3C(=O)NCc3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7513822
4127,COCCCN1CCN(Cc2cccc(CNC(=O)c3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49632648
4128,COCCCN1CCN(Cc2cccc(CNC(=O)c3ccc(-c4ccccc4)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4453513
4129,COCCOc1ccc(ON2CCCC(COc3ccc(F)cc3)C2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3515796
4130,COCCOc1ccc(ON2CCN(C(=O)c3ccccc3C)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07007821
4131,COCCOc1ccc(ON2CCN(c3ccccc3OC(C)C)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38163015
4132,COOc1ccc(OCCN2CCN(Cc3ccc(C)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.40166268
4133,COc1cc2c(cc1O)C1Cc3cccc(CCO)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.89501464
4134,COc1ccc(C(=O)NCCN2CCN(F)CC2)cc1-c1ccccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.28116184
4135,COc1ccc(NCc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5191564
4136,COc1ccc(OCCC(=O)COc2ccc(F)cc2)cc1C(=O)NCSc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.03527136
4137,COc1ccc(OCCC(N)=O)cc1CN1CCC(c2ccccc2C)CC1C,[*]CCOc1ccc(O[*])c([*])c1,0.1576868
4138,COc1ccc(OCCCN2C=CN(C=O)CC2)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.2737063
4139,COc1ccc(OCCCS(=O)(=O)c2ccc(F)cc2)cc1N1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.1552163
4140,COc1ccc(OCCF)cc1NC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.04733826
4141,COc1ccc(OCCN2CCC(NCc3ccccc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.61141634
4142,COc1ccc(OCCN2CCC(c3ccccc3OC3CCCC3)C2)cc1NC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.42290187
4143,COc1ccc(OCCN2CCCC(C(=O)c3ccc(F)cc3)C2)cc1SC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.32064694
4144,COc1ccc(OCCN2CCCC(CF)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.40891042
4145,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1N1CCC(Oc2ccccc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.14819315
4146,COc1ccc(OCCNCCc2cccs2)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.17865403
4147,COc1ccc(OCCS(C)(=O)=O)cc1NCCOc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07645422
4148,COc1ccc(OCCS(C)(=O)=O)cc1OC1CCCCC1CCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.13288401
4149,COc1ccc(OCCS(N)(=O)=O)cc1C1CC(Cc2ccccc2)CC(=O)N1,[*]CCOc1ccc(O[*])c([*])c1,0.14941828
4150,COc1ccccc1Cc1cccc2c1CN1CCc3cc(O)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7379322
4151,COc1ccccc1N1CCN(CCN2CCC(c3ccc4nccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78986186
4152,COc1ccccc1N1CCN(CCN2CCC(c3nnc(-c4ccccc4)n3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8212874
4153,COc1ccccc1N1CCN(CCN2CCC(n3cnc(C)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8513309
4154,COc1cccnc1C1CCN(CCN2CCN(c3ccccc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5885414
4155,CS(=O)(=O)NCCOc1ccc(ONS(C)(=O)=O)c(CN2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25105077
4156,CSc1cc2c(cc1O)CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6241063
4157,C[N+]c1ccccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.41618055
4158,Cc1cc(OCCCN2CCC(NS(=O)(=O)c3cccc(Cl)c3)CC2)ccc1OC(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5774121
4159,Cc1cc(OCCF)ccc1OCN(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07101363
4160,Cc1cc(OCCF)ccc1OOC1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.096846215
4161,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)CCOCC3)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.032028
4162,Cc1cc(OCCOS(C)(=O)=O)ccc1ON1CCC(Oc2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23610248
4163,Cc1ccc(C(=O)NCCN2CCN(c3cccc(C)c3C)CC2)cc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.7882747
4164,Cc1cccc(Cc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6815269
4165,Cc1cccc2c1CN1CCc3cc(C4C=CC=CO4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65110695
4166,FCCCN1CCN(Cc2cccc(-c3cccc4ccoc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6759195
4167,Fc1ccc(-c2ccc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)cn2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7989865
4168,Fc1cccc(CN2CCN(CCCc3nc4ccccc4s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6175269
4169,O=C(NCc1cccc(CN2CCN(CCCOCCF)CC2)c1)c1cc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.47178113
4170,O=[N+]([O-])C1CCN(CCN2CCN(c3ccccc3-c3cc(-c4ccccc4)no3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.589255
4171,O=c1oc2ccccc2c(=O)n1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57897395
4172,OCCCN1CCN(Cc2cccc(-c3cc(-c4ccccc4)co3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59223354
4173,Oc1cc2c(cc1O)C1Cc3cccc(-c4cccc(OC(F)(F)F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50910515
4174,c1ccc(Oc2cccc(CN3CCN(CCCC4CCCCC4)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65860623
4175,CC(=O)Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38536596
4176,CC1CCN(CCN2CCN(c3ccccc3-c3ccc(O)c(O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7817852
4177,CC1CCN(CCN2CCN(c3ccccc3-c3nc4ccccc4n3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6821612
4178,CCC1c2cc(C(=O)Nc3cc(OCCS(C)(=O)=O)ccc3OC)ccc2CCC1O,[*]CCOc1ccc(O[*])c([*])c1,0.13087617
4179,CCCC(=O)c1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63565546
4180,CCCCNCCOc1ccc(OC)c(C(=O)NCCN2C3=CC=C(OC)C=CC2CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17228137
4181,CCCOc1ccc(OCc2ccccc2OCC)c(N=S(C)(=O)O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.058780726
4182,CCCOc1ccc(ON)c(NC(=O)COc2ccccc2F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.006599455
4183,CCCOc1ccc(ONC(=O)c2ccccc2OCC)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.028726935
4184,CCCOc1ccc(ONC2CCN(C=O)CC2)c(OC(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24831842
4185,CCCOc1ccc(OOC)c(N2CCC(C(=O)c3cc(F)ccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23049803
4186,CCCOc1ccc(OS(C)(=O)=O)c(NCCc2ccc3c(c2)CCCO3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11695022
4187,CCCOc1ccc(OSC)c(N2CCN(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.69160724
4188,CCCOc1ccc(Oc2ccc(F)cc2)c(N2CCC(Oc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.44456363
4189,CCCOc1ccccc1CCOc1ccc(OOC)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18531924
4190,CCOC1CCN(CCN2CCN(c3ccccc3-n3cc(-c4ccccc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75759786
4191,CNC(=O)CCOc1ccc(OC)c(N2CCCC(CSc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13884798
4192,CNc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6441751
4193,COC(=O)Nc1ccc(-c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.60533303
4194,COCCCN1CCN(Cc2cccc(-c3cc(C=O)co3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5082962
4195,COCCCN1CCN(Cc2cccc(C3OCCCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.573485
4196,COCCOc1ccc(OC)c(CN2CCN(C(=O)c3ccc(F)cc3)C(C)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2647668
4197,COCCOc1ccc(OC)c(CNC(=O)c2cc3ccccc3o2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.031026173
4198,COCCOc1ccc(OC)c(N2CCC(NC(=O)c3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19419244
4199,COOc1ccc(OCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.75750124
4200,COOc1ccc(OCCNCC2CCc3ccccc3C2=O)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.21762772
4201,COc1cc(F)ccc1CC1CCN(Oc2ccc(OCCO[SH](C)(N)=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25625366
4202,COc1cc2c(cc1NC(=O)OCc1ccc(C#N)cc1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.28633142
4203,COc1cc2c(cc1O)CCN1Cc3c(N)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8267933
4204,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)NOCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47135213
4205,COc1cc2c(cc1OC1CCCC1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.796929
4206,COc1cc2c(cc1OCCc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69242626
4207,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccccc1OC(C)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3586883
4208,COc1ccc(OCCCSc2ccccc2C(C)C)cc1CN1CCN(C=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.26119465
4209,COc1ccc(OCCN2CCC(C(=O)c3ccccc3C3CCCC3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.52997917
4210,COc1ccc(OCCN2CCC(OC3CCCCC3)=CC=C3C=CC3CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.59301984
4211,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(Oc2ccc(C(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21766037
4212,COc1ccc(OCCNS(=O)(=O)c2cc(C(C)C)ccc2F)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.04516549
4213,COc1ccc(OCCNS(=O)(=O)c2cccc(SC)c2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09940129
4214,COc1ccc(OCCS(C)(=O)=O)cc1Oc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.08944258
4215,COc1cccc(CN2CCN(CCCC(=O)N=CC3COc4ccccc4N3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48756406
4216,COc1cccc(CN2CCN(CCCCc3cccc(C(=O)Nc4ccccc4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.39143625
4217,COc1cccc2c1CN1CCc3cc(Cc4ccsc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7726666
4218,COc1cccc2c1CN1CCc3cc(OCc4ccc(Oc5ccccc5)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5513738
4219,COc1ccccc1-c1cc(C(=O)NCCN2CCN(ON)CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.37423295
4220,COc1ccccc1C(=O)Nc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.26526007
4221,Cc1cc(OCCNCc2ccccc2)ccc1OC(=O)NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.15535107
4222,Cc1cccc(C2CCN(CCN3CCN(c4ccccc4C(C)C)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6712543
4223,Cc1ccccc1N1CCN(CCN2CCC(c3nc4ccc3CCc3ccc(cc3)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6491869
4224,ClCCCN1CCN(Cc2cccc(-c3ccc4c(c3)OCO4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54998606
4225,ClCCCN1CCN(Cc2cccc(-c3cccc4c3Cc3ccccc3-4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7267374
4226,ClCCCN1CCN(Cc2cccc(C3CNc4ccccc4N3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6309381
4227,Fc1cccc(C2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8304682
4228,N#CC1CCN(CCN2CCN(c3ccccc3-n3c(O)cc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7836915
4229,N#Cc1cccc(Cc2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6602015
4230,O=C(OCCCN1CCN(Cc2cccc(Cl)c2)CC1)C1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.50434947
4231,O=C(c1ccc(F)cc1)C1CCN(CCN2CCN(c3ccccc3S(=O)(=O)O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7063524
4232,O=C1c2ccc(F)cc2NC(C=Nc2cccc(CN3CCN(CCCCl)CC3)c2)N1c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6273901
4233,O=Cc1cccc(Cl)c1NC(=O)Nc1cc2c(cc1F)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.37954065
4234,O=S(=O)(CO)Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46661177
4235,Oc1cccc2c1CN1CCc3cc(OCSc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60632837
4236,C=Cc1cc2c(cc1CO)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5144386
4237,CC(=O)NCc1cccc2c1CN1CCc3cc(O)c(CO)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46698627
4238,CC(=O)NOc1ccc(OCCCCCc2ccc3c(c2)NC(=O)CCC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.10283201
4239,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8609572
4240,CCCOc1ccc(OC)c(CS(=O)(=O)c2ccc(Cl)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.050257713
4241,CCCOc1ccc(OF)c(CNC(=O)c2ccccc2CCN2CCN(C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33304587
4242,CCCOc1ccc(ON2CCC(c3ccccn3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3522071
4243,CCCOc1ccc(OOC)c(CCCc2ccc3ccccc3c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16143239
4244,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCC(Cc3ccc(OC4CCCC4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28453705
4245,CCCOc1ccc(OS(C)(=O)=O)c(CCCCc2ccc3ccccc3c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13398118
4246,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)Cc2ccc3c(c2)CCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04256041
4247,CCCc1cc(OCCc2ccc(F)cc2)ccc1OOC,[*]CCOc1ccc(O[*])c([*])c1,0.12090673
4248,CCc1cc2c(cc1O)C1Cc3cccc(OS(=O)(=O)C(F)(F)F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72459173
4249,CN=S(=O)(O)CCOc1ccc(OC)c(N2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34013888
4250,COC(=O)c1ccccc1N1CCN(CCN2CCC(c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70527023
4251,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccc(F)nn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7838677
4252,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3cc4ccccc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6630782
4253,COCCOc1ccc(OC)c(C(=O)CCc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13546982
4254,COCCOc1ccc(OC)c(CCNC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.022396231
4255,COOc1ccc(OCCC2CCN(CCc3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.69180346
4256,COc1cc(C(=O)NCCN2CCN(O)CC2)ccc1-c1ccccc1C#Cc1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.34961128
4257,COc1cc2c(cc1-c1ccc(CO)c3ccccc13)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6760735
4258,COc1cc2c(cc1Cc1cccc(OC(C)=O)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4062004
4259,COc1cc2c(cc1O)C1Cc3cccc(CN4CCCC(c5ccccc5)C4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5998844
4260,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(C)c4cccc(O)c34)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58790374
4261,COc1cc2c(cc1O)CCN1Cc3c(cccc3C3CCCCC3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6244016
4262,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(S(C)(=O)=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5521622
4263,COc1cc2c(cc1OC)C1Cc3cccc(-c4cccc(N(C)C)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6898359
4264,COc1cc2c(cc1[N+](=O)c1cccc(C#N)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6156095
4265,COc1ccc(-c2cc(OCCSC)ccc2OC)cc1OCC(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.08024807
4266,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1cccc([N+](=O)[O-])c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.23840362
4267,COc1ccc(OCCC(=O)COc2ccc3c(c2)CC(=O)CC3)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.11423342
4268,COc1ccc(OCCC(=O)Cc2ccccc2)cc1N1CCC(C(=O)O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23567562
4269,COc1ccc(OCCF)cc1NCCc1cccc(OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.088751934
4270,COc1ccc(OCCN(C)Cc2cccs2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.19691032
4271,COc1ccc(OCCN2CCC(C(=O)c3ccc(F)c(F)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.45688576
4272,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)CCC(=O)N4)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5647203
4273,COc1ccc(OCCN2CCC(c3ccccc3)CC2)cc1OC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.56785643
4274,COc1ccc(OCCN2CCCC(Cc3ccc(OC4CCCC4)c(C)c3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3037414
4275,COc1ccc(OCCN=S(C)(=O)O)cc1CN1CCC(F)C1,[*]CCOc1ccc(O[*])c([*])c1,0.38032466
4276,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(F)(c2ccc(SC)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.16242328
4277,COc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5663329
4278,COc1ccc(OCCNC(=O)c2cccc(C)n2)cc1N1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3519373
4279,COc1ccc(OCC[SH](C)(C)=O)cc1N1CCC(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.30817738
4280,COc1cccc(CN2CCN(CCCN3CCN(c4cccc(Cl)c4)C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6059033
4281,COc1cccc2c1CN1CCc3cc(OCc4ccc(C(F)(F)F)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62926626
4282,COc1cccc2c1CN1CCc3cc([O-])c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62461895
4283,COc1cccn(CCCCN2CCN(Cc3cccc(F)c3)CC2)c1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54491603
4284,CSc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc4ccc(O)cc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74208593
4285,Cc1cc(OCCC(N)=O)ccc1ONCCc1ccc2c(c1)CCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.0521339
4286,Cc1cc(OCCCCCc2ccc3c(c2)SC(=O)CC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.14468732
4287,Cc1cc(OCCN2CCC(CCc3ccc4c(c3)NC(=O)CC4)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.6662318
4288,Cc1cc(OCCN2CCCC(OCc3ccc4ccccc4c3)C2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3391034
4289,Cc1cc(OCCNCCc2cccs2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.18882826
4290,Cc1ccc(-c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6391804
4291,N#CC1CCN(CCN2CCN(c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77393305
4292,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)NC1CCCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55202174
4293,O=C(NCc1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1)C1(c2ccccc2)CCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.45452687
4294,O=C(Nc1ccccc1N1CCN(CCN2CCC(F)CC2)CC1)c1ccc2ccccc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.465798
4295,O=S(=O)(NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)c1ccc2ccccc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7707615
4296,OC1CCN(CCN2CCN(c3ccccc3-c3nc4ccccc4n3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.60546416
4297,OCc1cc2c(cc1Cl)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7061569
4298,CC(=O)N1CCc2ccccc2C1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6597569
4299,CC(=O)NSOc1ccc(OCCNCc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.1295594
4300,CC(=O)OCCCN1CCN(Cc2cccc(C(=O)N3Cc4ccccc4C3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4853706
4301,CC(O)c1ccccc1N1CCN(CCN2CCC(c3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6643376
4302,CC1(C)CC(=O)N(CCCCN2CCN(Cc3cccc(F)c3)CC2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66008633
4303,CCCOc1ccc(OC)c(CS(=O)(=O)N2CCC(C(F)(F)F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24429011
4304,CCCOc1ccc(ON2CCC(c3ccccc3OC)CC2)c(NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4243135
4305,CCCOc1ccc(OOC)c(N2CCCN(c3cccc(Cl)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30379108
4306,CCCOc1ccc(OOC)c(NC(CC)c2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14644782
4307,CCCOc1ccc(OS(C)(=O)=O)c(CCCc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2794111
4308,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCCC2Cc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28285727
4309,CCCOc1ccc(OS(N)(=O)=O)c(C2CCCC(Cc3ccc4c(c3)NC(=O)CCC4)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3125702
4310,CCCOc1ccc(OS(N)(=O)=O)c(NCCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09941318
4311,CCCOc1ccc(OSC)c(N2CCCC(Cc3ccccc3OC)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35875514
4312,CCNc1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5944652
4313,CCOc1ccccc1N1CCN(c2cc(OCCCOC)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31548783
4314,CCc1cccc(OC)c1-c1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6550013
4315,COC(=O)Cc1cccc(N2CCN(CCOc3ccc(OC)c(SC)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.62111175
4316,COC(=O)NCCc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45438555
4317,COC1CCN(CCN2CCN(c3ccccc3C3CCc4ccccc4C3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77614194
4318,COC1CCN(CCN2CCN(c3ccccc3Cc3cccc(OC(F)(F)F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71103084
4319,COCCCN1CCN(Cc2cccc(Cc3ccccc3OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61153996
4320,CON1CCN(CCNC(=O)c2ccc(-c3ccccc3C)c(C(C)=O)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31264278
4321,CON1CCN(CCNC(=O)c2ccc(O)c(-c3cccc([N+](=O)[O-])c3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2422266
4322,COc1cc2c(cc1F)CCN1Cc3c(Cc4cccc(C#N)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61512136
4323,COc1cc2c(cc1O)C1Cc3cccc(COC(C)(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8566996
4324,COc1cc2c(cc1O)C1Cc3cccc(Oc4cccc(NC(C)=O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3946392
4325,COc1cc2c(cc1O)CCN1Cc3c(CCNC(=O)c4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47126338
4326,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(C)c(C)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5548842
4327,COc1cc2c(cc1OC)C(=O)N(CCCOc1ccc(OC)c(S(C)(=O)=O)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.35427886
4328,COc1cc2c(cc1OC)C1Cc3cccc(OC(=O)Nc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35003662
4329,COc1cc2c(cc1OC=Cc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78704435
4330,COc1ccc(C)cc1C1CCN(CCN2CCN(c3ccccc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65824956
4331,COc1ccc(OCCC(C)=O)cc1N1CCN(c2cccc(F)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23938598
4332,COc1ccc(OCCCCCc2ccc(F)cc2)cc1-c1ccc(SC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.117567584
4333,COc1ccc(OCCCCCc2ccc3c(c2)NC(=O)CC3)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.22818345
4334,COc1ccc(OCCN2CCC(Oc3ccc(CC4CCCCC4)cc3)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.45234886
4335,COc1ccc(OCCN2CCC(c3cc(C(=O)N4CCCCC4)ccc3F)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.22122914
4336,COc1ccc(OCCN2CCC(c3ccc(F)cc3)CC2)cc1S(=O)(=O)N(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.7355615
4337,COc1ccc(OCCNCc2cccs2)cc1OS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.15244173
4338,COc1ccc(OCCNS(=O)(=O)c2ccccc2F)cc1S(=O)(=O)C1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.15275353
4339,COc1ccc(OCCNS(C)(=O)=O)cc1N1C(=O)CCc2cc(CCC3CCC3)ccc21,[*]CCOc1ccc(O[*])c([*])c1,0.20734288
4340,COc1cccc(CCCCN2CCN(Cc3cccc(NC(=O)C4CCCCC4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.34496385
4341,COc1cccc(CN2CCN(CCCCc3coc4ccccc4c3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6473594
4342,COc1cccc2c1CN1CCc3cc(CCC(=O)O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5337182
4343,COc1cccc2c1CN1CCc3cc(CCNc4ccc(C)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4501836
4344,COc1cccc2c1CN1CCc3cc(CCOc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6598011
4345,COc1ccccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1N=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.36208224
4346,COc1ccccc1CCCCN1CCN(Cc2cccc(O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6876509
4347,COc1ccccc1N1CCN(CCN2CCC(NC(=O)N(C)C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.86653906
4348,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccccc3C#Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.89923596
4349,COc1ccccc1N1CCN(CCN2CCC(c3cc(O)nc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80063856
4350,Cc1cc(OCCCCCc2ccc(F)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07285638
4351,Cc1cc(OCCN2CCC(CCc3ccc(F)cc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.62297356
4352,Cc1cc(OCCN2CCC(O)(c3ccc(Cl)cc3)C2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.43079787
4353,Cc1cc(OCCNC(=O)c2cccs2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.012602627
4354,Cc1cccc2c1CN1CCc3cc(-c4cccc(C(F)(F)F)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54584974
4355,Fc1ccccc1N1CCN(CCN2CCC(c3cncc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6892344
4356,N#Cc1ccc(ON=Cc2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7092526
4357,O=C(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1ccc(-c2ccccc2)nc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4567276
4358,O=C(c1cccc(CN2CCN(CCCc3ccccc3)CC2)c1)N1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.44374138
4359,O=S1(=O)CCc2ccccc2N1CCCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7629284
4360,O=c1cc(-c2ccccc2)ccn1CCCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.688613
4361,Oc1cc2c(cc1OC=NC1CCCCC1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61274755
4362,Oc1cnc(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7931394
4363,CC(=O)C1CCN(CCN2CCN(c3ccccc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65500337
4364,CC1c2ccccc2S(=O)(=O)N1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5449437
4365,CCC(=O)Oc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47401235
4366,CCCCN1CCN(Cc2cccc(-c3cccc4ccccc4c3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5175727
4367,CCCCN1CCN(Cc2cccc(COc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53152424
4368,CCCOc1ccc(OC=[SH]O)c(NCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07497834
4369,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCN(c3ccccc3OCC(C)C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26830402
4370,CCCOc1ccc(ONC(C)=O)c(C2=CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12931746
4371,CCCOc1ccc(OOC)c(-c2cc3c(n2Cc2ccc(F)cc2)CCCC(=O)N3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14320362
4372,CCCOc1ccc(OS(C)(=O)=O)c(CCc2ccc(CCC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08683953
4373,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCc3cc(CC4CCC4)ccc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35318696
4374,CCCOc1ccc(OS(C)(=O)=O)c(OC(=O)Nc2ccccc2OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.012001991
4375,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(O)(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25480857
4376,CCCOc1ccc(OSC)c(N2CCN(c3ccccc3Cl)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34870276
4377,CCCOc1ccc(Oc2ccn(CCC)c2)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8415045
4378,CCOCCCN1CCN(Cc2cccc(CNC(=O)c3cc4ccccc4s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3982368
4379,CCOc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73550403
4380,CCc1ccccc1N1CCN(CCN2CCC(n3cc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7594652
4381,CNC(=O)c1cc(OCCCc2cccc(NC(C)=O)c2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.011513249
4382,COCCOc1ccc(ON2CCCCC2c2ccccc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37182602
4383,CON1CCN(CCNC(=O)c2ccc(C)c(-c3ccccc3[N+](=O)[O-])c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26958936
4384,COOc1ccc(OCCN2CCN(C)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.4278191
4385,COOc1ccc(OCCNCc2ccc(OS(C)(=O)=O)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.16561778
4386,COc1cc(S(C)(=O)=O)ccc1CNC(=O)Oc1ccc(OCCOCC(C)=O)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.018931253
4387,COc1cc2c(cc1C(=O)N(C)Cc1ccccc1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.37874112
4388,COc1cc2c(cc1O)C1Cc3cccc(C(=O)c4ccc5cc(C#N)ccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5129471
4389,COc1cc2c(cc1OC)C1Cc3cccc(CNC(C)(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7114503
4390,COc1cc2c(cc1OC)C1Cc3cccc(COc4ccc(C(F)(F)F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77929777
4391,COc1cc2c(cc1OCc1cccc3cccc(OC)c13)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.722111
4392,COc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c(OC)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7363709
4393,COc1ccc(CCCN2CCN(Cc3cccc(C(=O)N4c5ccccc5CC4C)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7050313
4394,COc1ccc(OCCC=O)cc1N1CCN(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28417856
4395,COc1ccc(OCCCCCc2ccccc2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.110513344
4396,COc1ccc(OCCCOc2ccc(F)cc2)cc1CN1C=CC(C(=O)O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23776554
4397,COc1ccc(OCCCc2cccc(S(C)(=O)=O)c2)cc1N1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4630958
4398,COc1ccc(OCCF)cc1NC(=O)c1ccc(CCCF)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.036207356
4399,COc1ccc(OCCN)cc1N1CCN(C(=O)CC(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.096493445
4400,COc1ccc(OCCN2CCC(CCc3ccccc3)CC2)cc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.72547555
4401,COc1ccc(OCCN2CCCC(CCc3ccc4c(c3)NC(=O)CC4)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.504531
4402,COc1ccc(OCCOS(C)(=O)=O)cc1N1CCC(c2ccc(CC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.26627105
4403,COc1ccc(OCCc2ccc(S(C)(=O)=O)cc2)cc1N1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.30262136
4404,COc1cccc(CNCc2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.525824
4405,COc1cccc2c1CN1CCc3cc(-c4c(C#N)ccc5ccccc45)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70277774
4406,COc1cccc2c1CN1CCc3cc(O)c(C(=O)Nc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36472404
4407,COc1ccccc1N1CCN(CCN2CCC(c3ccc(F)c(O)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7734964
4408,COc1ccccc1N1CCN(CCN2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7664538
4409,COc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccc4O)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8258579
4410,COc1ccccc1N1CCN(COc2ccc(OCCNC(C)=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6257612
4411,CSOc1ccc(OCCN2CCC(Cc3ccc4ccc(C=O)cc4c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.45372832
4412,Cc1cc(OCCCCCc2ccccc2)ccc1ON1CCC(C=O)N1,[*]CCOc1ccc(O[*])c([*])c1,0.31552663
4413,Cc1cc(OCCF)ccc1ON(C)S(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.053594258
4414,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.16412212
4415,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(Oc2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19877416
4416,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCC(c2ccc(OC(C)C)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20428637
4417,N#Cc1ccccc1N1CCN(CCN2CCC(c3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82759875
4418,O=C(C=Cc1ccccc1)C1CCN(CCN2CCN(c3ccccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68607074
4419,O=C(NC1CCN(CCN2CCN(c3ccccc3O)CC2)CC1)c1ccc2ccccc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77306443
4420,O=C(NCCN1CCN([N+](=O)[O-])CC1)c1ccc([N+](=O)[O-])c(-c2ccccc2)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35129857
4421,O=C(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1cc2ccccc2o1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4070852
4422,O=S(=O)(c1ccc(F)cc1)C1CCN(CCN2CCN(c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67063206
4423,Oc1cc2c(cc1OC(F)(F)F)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76224285
4424,Oc1cc2ccccc2n1-c1ccccc1N1CCN(CCN2CCC(F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6796092
4425,Oc1cc2ccccc2n1CCCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7177995
4426,Oc1cccc(CN2CCN(CCCCOc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7042053
4427,CCCOc1ccc(OC(F)COc2ccccc2N2CCCCC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22451192
4428,CCCOc1ccc(OC)c(CC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.045360487
4429,CCCOc1ccc(OCC2CCc3cc(OCC(=O)O)ccc3C2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3125713
4430,CCCOc1ccc(ON2CCCC(c3ccc(F)cc3)C2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36364874
4431,CCCOc1ccc(ON2CCN(c3ccc(F)cc3)CC2)c(NC(=O)OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08953236
4432,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(Cc3ccc(OC4CCCC4=O)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11464335
4433,CCCOc1ccc(OS(C)(=O)=O)c(N2CCN(Cc3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.60282344
4434,CCCOc1ccc(Oc2ccc(SC)cc2)c(N2CCC(Cc3cccc(C(F)(F)F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36534253
4435,CCOCc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76706135
4436,CCOc1ccccc1N1CCN(c2cc(OCCOC)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.34696412
4437,CN(C)c1cccc2cccc(-c3cc4c(cc3Cl)C3Cc5cccc(O)c5CN3CC4)c12,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63767684
4438,COC(=O)c1cccc(C2CCN(CCCOc3ccc(OC)c(Cl)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6954402
4439,COC1CCN(CCN2CCN(c3ccccc3-c3cn(C(F)(F)F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80895674
4440,COC1CCN(CCN2CCN(c3ccccc3C(O)c3cccc4ccc(O)cc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7519349
4441,COC1CCN(CCN2CCN(c3ccccc3Cc3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6998495
4442,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccc(-n4ccnc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.45081612
4443,COCCOc1ccc(OC)c(NC(=O)c2ccccc2OCC2CCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.041051377
4444,COCCOc1ccc(OCN2CCN(c3cccn3CC(F)(F)F)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4441876
4445,CON1CCN(CCNC(=O)c2ccc(O)c(-c3ccccc3F)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.39839756
4446,COc1cc2c(cc1C(F)(F)F)CCN1Cc3c(cccc3Oc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54954153
4447,COc1cc2c(cc1Cl)CCN1Cc3c(cccc3-c3ccco3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58538115
4448,COc1cc2c(cc1F)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.81160706
4449,COc1cc2c(cc1OC)CC(NCCOc1ccc(OS(N)(=O)=O)c(C)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.42367643
4450,COc1cc2c(cc1OCc1cc(CO)c3ccccc3c1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4908797
4451,COc1ccc(COc2ccc(-c3cccc4c3CN3CCc5cc(O)c(OC)cc5C3C4)cc2)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6349208
4452,COc1ccc(OCCC(F)CCc2ccc3c(c2)CC(=O)CC3)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.12669936
4453,COc1ccc(OCCCS(=O)(=O)C2CCCC2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.14449273
4454,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)CC(=O)CC4)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5298074
4455,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCS4)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.54866904
4456,COc1ccc(OCCN2CCC(Oc3ccc(C(C)=O)cc3)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.45703682
4457,COc1ccc(OCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.7532796
4458,COc1ccc(OCCNC(=O)COc2ccccc2C)cc1CN(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.022446057
4459,COc1ccc(OCCNC2CCc3ccc(S(C)(=O)=O)cc3CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.25693423
4460,COc1ccc(OCCNCC(=O)c2cccs2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.0868982
4461,COc1ccc(OCCNCCc2ccc3c(c2)NC(=O)CC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.21926218
4462,COc1ccc(OCCNCc2cccnc2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.17875889
4463,COc1ccc(OCCNS(=O)(=O)c2cc(F)ccc2F)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.0821798
4464,COc1ccc(OCCS(C)(=O)=O)cc1NCC1CCC(=O)Nc2cccc(c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.11057575
4465,COc1ccc(OCCS(N)(=O)=O)cc1OCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.08796677
4466,COc1ccc(OCCSCCCc2ccc3c(c2)NC(=O)CCC3)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.27066725
4467,COc1ccccc1-c1cc(C(=O)NCCN2CCN(C)CC2)ccc1S(C)(=O)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3099949
4468,COc1ccccc1N1CCN(COc2ccc(OCCNC(=O)c3ccc4ccccc4c3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6373792
4469,CS(=O)(=O)CCOc1ccc(OF)c(CN2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3760646
4470,Cc1cc(OCCCNCc2ccccc2)ccc1OCCCF,[*]CCOc1ccc(O[*])c([*])c1,0.2852704
4471,Cc1cc(OCCCOc2ccccc2C(C)C)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.09472437
4472,Cc1cc(OCCF)ccc1OCN1CCC(NS(=O)(=O)c2ccc(C(C)C)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3573746
4473,Cc1cc(OCCN2CCCC(Cc3ccc(F)cc3)C2)ccc1ON=S(O)O,[*]CCOc1ccc(O[*])c([*])c1,0.42721087
4474,Cc1cc(OCCN2CCCC(Cc3ccc4c(c3)NC(=O)CCS4)C2)ccc1OOS,[*]CCOc1ccc(O[*])c([*])c1,0.42415935
4475,Cc1cc(OCCN2CCOCC2Cc2ccc(F)cc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.25731957
4476,Cc1cc(OCCNCc2ccc(OC3CCNCC3)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.18380141
4477,Cc1cc(OCCNCc2ccccc2)ccc1OCS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.27332476
4478,Cc1cc(OCCNS(=O)(=O)c2ccccc2)ccc1ON1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25645646
4479,Cc1cccc(CN2CCN(CCCCc3ccc4ccccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7144684
4480,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cccc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7635468
4481,Cc1ccccc1N1CCN(CCN2CCC(c3cc4ccccc4nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69475806
4482,Cc1nn(C2CCN(CCN3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1-c1ccccc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78904176
4483,O=C(NC1CCN(CCN2CCN(c3ccccc3[O-])CC2)CC1)c1ccccc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77910423
4484,O=C(NCC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)c1cc2ccccc2nc1O,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78063464
4485,O=C(c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2)C1CC1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52038133
4486,O=C(c1ccc(CO)cc1)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51520944
4487,O=C1NC(CCCN2CCN(Cc3cccc(Cl)c3)CC2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5969414
4488,OC1CCN(CCN2CCN(c3ccccc3-c3ncc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7620398
4489,Oc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(F)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7333811
4490,CC(C)(C)S(=O)(=O)Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51544863
4491,CC=Cc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.88403875
4492,CCCCN1CCN(Cc2cccc(N3C(=O)S(=O)(=O)c4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5968592
4493,CCCCc1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7482668
4494,CCCOc1ccc(OCNS(C)(=O)=O)c(CN2CCC(Oc3ccc(CC(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3278098
4495,CCCOc1ccc(ON2CCN(C(=O)OCC)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06684606
4496,CCCOc1ccc(ON2CCN(Cc3ccc(F)c(F)c3)CC2)c(NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13898374
4497,CCCOc1ccc(ONS(=O)(=O)c2ccc(SC)cc2)c(CN2CCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14162667
4498,CCCOc1ccc(ONS(C)(=O)=O)c(C(O)CCc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19477406
4499,CCCOc1ccc(OS(C)(=O)=O)c(Cc2ccc(OC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1030238
4500,CCOc1ccccc1NCc1cc(OCCS(C)(=O)=O)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.06292838
4501,CNC(c1ccccc1)c1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5629275
4502,CNCCOc1ccc(OC)c(NS(=O)(=O)c2cccc(C(C)C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08199911
4503,COC(=O)c1ccc(-c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4317081
4504,COC1CCN(CCN2CCN(c3ccccc3-c3ncc[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7938836
4505,COC1CCN(CCN2CCN(c3ccccc3-c3nccc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8233122
4506,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccc4ccc(O)cc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.47987783
4507,COC1CCN(CCN2CCN(c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.55035865
4508,COCCCN1CCN(Cc2cccc(Cc3ccc(-c4ccccn4)o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5594926
4509,COCCOc1ccc(OC)c(N2CCCN(c3ccccc3OC(F)(F)F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37795848
4510,COc1cc(C(=O)NCCN2CCN(c3ccc(C)cc3)CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.41053128
4511,COc1cc2c(cc1-c1ccc[nH]1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74170077
4512,COc1cc2c(cc1Cl)CCN1Cc3c(Cc4cccc([N+](=O)[O-])c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3574295
4513,COc1cc2c(cc1O)C1Cc3cccc(C(=O)Nc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4141836
4514,COc1cc2c(cc1O)C1Cc3cccc(C(C)COc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7493724
4515,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc5[nH]c(C(=O)O)cc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41581187
4516,COc1cc2c(cc1O)CCN1Cc3c(C=Cc4cccc(C#N)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74709946
4517,COc1cc2c(cc1OC)C1Cc3cccc(N4CCCC(OCc5ccccc5)C4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5060535
4518,COc1cc2c(cc1OC)C1Cc3cccc(OCc4cccc(NC(C)=O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34799933
4519,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(OC(F)(F)F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78852236
4520,COc1ccc(COc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cn1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7053622
4521,COc1ccc(NC2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)c(OC)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6430244
4522,COc1ccc(OCCC(C)Cc2ccc3c(c2)NC(=O)CC3)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.24842204
4523,COc1ccc(OCCCCOc2ccc3c(c2)NC(=O)CC3)cc1C(=O)CS,[*]CCOc1ccc(O[*])c([*])c1,0.18869255
4524,COc1ccc(OCCCOc2ccc(F)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.13463114
4525,COc1ccc(OCCN2CCC(C(=O)OCc3ccc(F)cc3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.40807945
4526,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)CC(=O)CC4)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5998231
4527,COc1ccc(OCCN2CCC(Cc3ccccc3)CC2=O)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.33134133
4528,COc1ccc(OCCN2CCC(NC(=O)c3cccc(C(C)C)c3)CC2)cc1S(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.39462635
4529,COc1ccc(OCCN2CCN(c3ccccc3C(C)=O)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6903857
4530,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.18788293
4531,COc1ccc(OCCN=S(C)(=O)O)cc1NC(=O)Cc1cccc2c1CCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.033178594
4532,COc1ccc(OCCNS(=O)(=O)c2ccccc2C(C)C)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.05634589
4533,COc1cccc(-c2csc(-c3cccc(CN4CCN(CCCCl)CC4)c3)n2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6077062
4534,COc1cccc(CN2CCN(CCCCn3cccc3OC)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.660777
4535,COc1cccc2c1CN1CCc3cc(C=N[N+](=O)c4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6111681
4536,COc1ccccc1-c1cc2c(cc1OC)C1Cc3cccc(C#N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7003286
4537,COc1ccccc1N1CCN(CCN2CCC(n3cc(C(=O)O)c4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71874404
4538,CS(=O)(=O)c1cccc(CCCN2CCN(Cc3cccc(F)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54130685
4539,CSOc1ccc(OCCN2CCN(c3ccc(C(C)=O)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5463259
4540,Cc1cc(OCCC(=O)COc2ccc3c(c2)CCCC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.09929378
4541,Cc1cc(OCCCCOc2ccc3c(c2)NC(=O)CC3)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.233486
4542,Cc1cc(OCCN2CCNC(CCc3ccc(F)cc3)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4219957
4543,Cc1cc(OCCNC(=O)COc2ccc3c(c2)NC(=O)CC3)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06949075
4544,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)NC(=O)CC3)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.04706705
4545,Cc1cc(OCCS(N)(=O)=O)ccc1ONc1ccc(C2CCNCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.112352654
4546,Cc1cccc(CN2CCN(CCCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7106992
4547,Cc1ccccc1CC1CCN(CCOc2ccc(ON=S(C)(=O)O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5356445
4548,Fc1cccc(CN2CCN(CCCCc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7632544
4549,O=C(Nc1cccc(O)c1)Oc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.26213846
4550,Oc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(cccc3N3CCCCC3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3569499
4551,Oc1cccc2c1CN1CCc3cc(C=NOCCc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65836096
4552,Sc1nc2ccc(-c3cccc(CN4CCN(CCCCl)CC4)c3)cc2[nH]1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7194926
4553,CC(=O)N1CC(C)CN(COc2ccc(OCCN=S(C)(=O)O)cc2C)c2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.06772167
4554,CC(C)OC1CCN(CCN2CCN(c3ccccc3S(=O)(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.59449023
4555,CCCCN1CCN(Cc2cccc(CN3c4ccccc4CS3(=O)=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6665675
4556,CCCOc1ccc(OC#N)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09852605
4557,CCCOc1ccc(ONS(C)(=O)=O)c(NC2CCc3cccc(OC)c3CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.517935
4558,CCCOc1ccc(OOC)c(N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12856181
4559,CCCOc1ccc(OOC)c(N2CCN(Cc3ccco3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6319978
4560,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCC(Cc3ccc4c(c3)CCC(=O)N4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35257038
4561,CCCOc1ccc(OS(C)(=O)=O)c(CN(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09973202
4562,CCCOc1ccc(OS(N)(=O)=O)c(CCOc2ccc3ccccc3n2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13118538
4563,CCOc1ccc2c(c1)CN(c1cc(OCCS(C)(=O)=O)ccc1OC)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.2753541
4564,CCOc1ccccc1N1CCN(CCOc2ccc(OC)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7885471
4565,CN1CCN(CCNC(=O)c2ccc(C#N)c(-c3ccccc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35984606
4566,COC1CCN(CCN2CCN(c3ccccc3-n3c(=O)n(-c4ccccc4)c(=O)c4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65820277
4567,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4c(c3)OCC(=O)N4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7813201
4568,COCCCN1CCN(Cc2cccc(CC(=O)NC3CCCCC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.2754832
4569,COOc1ccc(OCCN2CCN(Cc3cccc(S(C)(=O)=O)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.392018
4570,COc1cc2c(cc1CNc1cccc(C)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5427906
4571,COc1cc2c(cc1OC)C1Cc3cccc(-c4cc(C#N)ccn4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65802836
4572,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccccc1S(=O)(=O)O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32965767
4573,COc1ccc(OCCC(C)=O)cc1NS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.036954004
4574,COc1ccc(OCCN2CCC(Oc3ccc4c(c3)NC(=O)CCC4)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.64084005
4575,COc1ccc(OCCN2CCC(c3ccc(F)cc3)CC2)cc1S(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.6156202
4576,COc1ccc(OCCN2CCCN(c3cccc(C(C)=O)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6514856
4577,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCC1Cc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.18277015
4578,COc1ccc(OCCNC(C)=O)cc1N1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2299167
4579,COc1ccc(OCCNC=O)cc1CN1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5835
4580,COc1ccc(OCCNCC2CCC(NS(C)(=O)=O)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.11243962
4581,COc1ccc(OCCNS(=O)(=O)c2ccc(F)c(F)c2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.04371458
4582,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(CCc2ccc3c(c2)NC(=O)CCC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3236329
4583,COc1ccc(OCCS(C)(=O)=O)cc1NC(=O)COc1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.008367408
4584,COc1ccc(OCCS(C)(=O)=O)cc1NC(C)Cc1ccc2c(c1)CCC(=O)C2,[*]CCOc1ccc(O[*])c([*])c1,0.1841583
4585,COc1ccc(OCCS(C)(=O)=O)cc1NCC(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.058116537
4586,COc1cccc(CN(C)C(=O)c2cccc3c2CN2CCc4cc(OC)c(CO)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3963922
4587,COc1cccc(CN2CCN(CCCc3cccc(S(C)(=O)=O)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55145055
4588,COc1cccc(CNCCc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46386886
4589,COc1cccc(COc2cc3c(cc2OC)CCN2Cc4c(CF)cccc4CC32)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.718511
4590,COc1cccc2c1CN1CCc3cc(-c4cccc(C(=O)N(C)C)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4116627
4591,COc1cccc2c1CN1CCc3cc(Cc4ccc(N(C)C)cc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6573364
4592,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3cccc(F)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7231747
4593,CSOc1ccc(OCCNCCc2ccc3c(c2)OC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.2130596
4594,CSc1ccc(C(=O)NCC(=O)N2CCN(Oc3ccc(OCCF)cc3C)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.070706844
4595,Cc1cc(OCCCCOc2ccccc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10504317
4596,Cc1cc(OCCCCc2ccccc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.07678719
4597,Cc1cc(OCCCS(C)(=O)=O)ccc1ONCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.10972311
4598,Cc1cc(OCCN2CCC(NS(=O)(=O)c3cccc(Cl)c3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.69939286
4599,Cc1cc(OCCNC(=O)c2cccs2)ccc1ON1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.14358331
4600,Cc1cc(OCCNS(C)(=O)=O)ccc1OCN1CCC(Oc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.45167714
4601,Cc1cccc(COc2cc3c(cc2CO)CCN2Cc4c(O)cccc4CC32)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7203681
4602,ClC1CCN(CCN2CCN(c3ccccc3-c3ccon3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77526647
4603,ClCCCN1CCN(Cc2cccc(Cc3ccc4c(c3)OCO4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5291718
4604,ClCCCN1CCN(Cc2cccc(Sc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7139547
4605,O=C(NCc1ccccc1)C1CCN(CCN2CCN(c3ccccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7057759
4606,O=C(NCc1ccccc1)Oc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39971933
4607,O=C1Cc2ccccc2N1Cc1cccc(CN2CCN(CCCOC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68759084
4608,O=C1c2ccccc2S(=O)(=O)N1c1cccc(CN2CCN(CCC[N+](=O)[O-])CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49819964
4609,O=Cc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)[nH]1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61339235
4610,O=S1(=O)C=Cc2ccccc2N1c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6478626
4611,O=S1(=O)Cc2ccccc2-c2c(cccc2-c2cccc(CN3CCN(CCCCl)CC3)c2)N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.73068464
4612,O=c1ccc2ccccc2cc1-c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6144537
4613,Oc1oc2ccccc2c1-c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.631902
4614,C=Cc1ccccc1-c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63371706
4615,CC(C)c1ccccc1N1CCN(CCN2CCC(Cc3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68855643
4616,CCCCN1CCN(Cc2cccc(-c3coc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59225816
4617,CCCNCc1cc(OCCF)ccc1OOC,[*]CCOc1ccc(O[*])c([*])c1,0.12970059
4618,CCCOc1ccc(OF)c(CN2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.400486
4619,CCCOc1ccc(ON2CCN(c3cccc(Cl)c3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3142872
4620,CCCOc1ccc(ONS(C)(=O)=O)c(Cc2ccc(Cl)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08384913
4621,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(Oc3ccc(CC(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29872108
4622,CCCOc1ccc(OOC)c(CNC(c2ccccc2)c2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17778818
4623,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCC(c3ccccc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2221537
4624,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)Cc2ccc(C3CCC(=O)NC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.058630977
4625,CCCOc1ccc(OSC)c(NC(=O)c2ccccc2OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.022600807
4626,CNC(=O)c1ccc(Cc2cc3c(cc2OC)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48783737
4627,CNS(=O)(O)=Cc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5123969
4628,COC1CCN(CCN2CCN(c3ccccc3-c3cccc(N)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8530711
4629,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3cc4ccccc4nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64684343
4630,COC1CCN(CCN2CCN(c3ccccc3Cc3ccc(O)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.56357235
4631,COC1CCN(CCN2CCN(c3ccccc3N3CCCCC3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6923799
4632,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3cc4ccccc4nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4204938
4633,COOc1ccc(OCCN2CCC(Cc3ccc4ccccc4c3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5013733
4634,COOc1ccc(OCCN2CCC(S(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.60504854
4635,COOc1ccc(OCCOC(=O)CCc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.11091711
4636,COc1cc2c(cc1-c1ccc3cc(C#N)ccc3c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6514675
4637,COc1cc2c(cc1O)C1Cc3cccc(CC(=O)c4c[nH]c5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48984563
4638,COc1cc2c(cc1O)C1Cc3cccc(CCOCc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73909765
4639,COc1cc2c(cc1O)C1Cc3cccc(CN4CCN(c5ccccc5)CC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7569795
4640,COc1cc2c(cc1O)CCN1Cc3c(Cc4cc(F)cc(F)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78018194
4641,COc1ccc(-c2cc3c(cc2[N+](=O)[O-])CCN2Cc4c(cccc4OC)CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49260485
4642,COc1ccc(OCCCN=S(C)(=O)O)cc1CCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.078408234
4643,COc1ccc(OCCN=S(C)(=O)O)cc1C1CCC(Cc2ccc(C3CCC(=O)N3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.12906267
4644,COc1ccc(OCCN=S(C)(=O)O)cc1CCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07622216
4645,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(Cc2cccc3c2NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.35411495
4646,COc1ccc(OCCNS(=O)(=O)c2ccsc2C(C)=O)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.017529694
4647,COc1ccc(OCCNS(C)(=O)=O)cc1OC1CCC2CCc3ccc(C(N)=O)cc3C2C1,[*]CCOc1ccc(O[*])c([*])c1,0.21562941
4648,COc1ccc(OCCS(C)(=O)=O)cc1C1CCC(Oc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19377424
4649,COc1cccc2c1CN1CCc3cc(Cc4cccc5ccccc45)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71835756
4650,COc1ccccc1-c1cc2c(cc1O)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5918705
4651,COc1ccccc1N1CCN(CCN2CCC(C(=O)Nc3cccc(Cl)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69530284
4652,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.91619235
4653,COc1ccccc1N1CCN(CCN2CCC(Oc3ccc4c(O)cccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80138826
4654,COc1ccccc1N1CCN(CCN2CCC([N+](=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7750828
4655,COc1ccccc1N1CCN(CCN2CCC(n3ccc(-c4ccccn4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75163984
4656,COc1cccn1Cc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5606784
4657,CSOc1ccc(OCCNCCCC2Cc3ccc(F)c(c3)N2C)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.29477167
4658,CSc1ccc(OC2CCN(Oc3ccc(OCCCS(=O)(=O)O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.17631046
4659,CSc1ccc2c(c1)C(S(=O)(=O)NCCOc1ccc(ON=S(C)(=O)O)c(C)c1)CCC2,[*]CCOc1ccc(O[*])c([*])c1,0.20999742
4660,CSc1ccccc1-c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62134266
4661,Cc1cc(OCCCN2CCC(c3ccc(F)cc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.75292104
4662,Cc1cc(OCCN2CCC(Oc3ccc(CC4CCCC4)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.49422622
4663,Cc1cc(OCCN2CCNC(CCc3ccc(F)cc3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.43161744
4664,Cc1cc(OCCN=S(C)(=O)O)ccc1OCCOc1ccc(C(F)(F)F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.070921585
4665,Cc1cc(OCCNC(=O)CCc2ccc3c(c2)CC(=O)CC3)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.048870623
4666,Cc1cc(OCCNS(=O)(=O)c2ccccc2)ccc1ON1CCCC(Cc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.21056855
4667,Cc1cc(OCCNS(C)(=O)=O)ccc1ONC(=O)C1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.048707448
4668,Cc1cc(OCCNS(C)(=O)=O)ccc1ONC(=O)COc1ccc2c(c1)NCC2,[*]CCOc1ccc(O[*])c([*])c1,0.050388824
4669,Cc1cc(OCCSCc2ccc(F)cc2)ccc1OCN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.21398853
4670,Cc1cccc(-c2cc(C(=O)NCCN3CCN(O)CC3)ccc2O)c1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.25995773
4671,ClC1CCN(CCN2CCN(c3ccccc3-c3cnc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7777819
4672,N#Cc1cccc(S(=O)(=O)NC2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82126254
4673,O=C(Nc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2)Nc1c(Cl)cccc1Cl,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41387883
4674,O=c1ccc(F)cn1Cc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6146554
4675,O=c1sc(-c2cccc(CN3CCN(CCCF)CC3)c2)cc2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6229834
4676,OCC1CCN(CCN2CCN(c3ccccc3-c3cn4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7383593
4677,CC(C)C1CCN(CCN2CCN(c3ccccc3NS(=O)(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5201483
4678,CC1CCN(CCc2cc(OCCF)ccc2ONS(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6213304
4679,CC1Cc2ccccc2N1C(=O)Cc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7176206
4680,CCCOc1ccc(OC(=O)C2CCCNC2)c(NCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11208146
4681,CCCOc1ccc(OC2OC(C)CCN2c2ccccc2OC)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.41275814
4682,CCCOc1ccc(ON=CO)c(N2CCN(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23047577
4683,CCCOc1ccc(OS(C)(=O)=O)c(OC2CCCc3ccc(CC4CCC(=O)NC4)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38206595
4684,CCCc1ccccc1OCc1cc(OCCF)ccc1OOC,[*]CCOc1ccc(O[*])c([*])c1,0.2358878
4685,CCOc1ccc2c(c1)OC(CNc1cc(OCCS(N)(=O)=O)ccc1OC)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.35651818
4686,CCOc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7741514
4687,CCOc1ccccc1N1CCN(CCN2CCC(c3cc(O)co3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81552124
4688,COC(=O)Oc1ccc(OCCCN2CCN(c3ccccc3F)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5746231
4689,COC(=O)[N+](=O)c1ccc(Cc2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4224133
4690,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3cc4ccc(O)cc4[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.41286927
4691,COc1cc2c(cc1Cc1ccccc1)CCN1Cc3c(cccc3SC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7339184
4692,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(N(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7394353
4693,COc1cc2c(cc1OC)C1Cc3cccc(OCc4ccco4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73571473
4694,COc1ccc(-c2ccc(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)cc2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81242305
4695,COc1ccc(COc2cc3c(cc2OC)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7984183
4696,COc1ccc(OCCC(=O)COc2ccc(C(C)C)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.027962953
4697,COc1ccc(OCCC(N)=O)cc1N1CCN(c2ccccc2C(C)C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18663397
4698,COc1ccc(OCCCN2CCC(OCCc3ccc(F)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.8074565
4699,COc1ccc(OCCCNC(=O)c2ccc(Cl)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.035302404
4700,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCc2ccc(OC3CC(=O)C3)cc2CC1,[*]CCOc1ccc(O[*])c([*])c1,0.35857043
4701,COc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.016936732
4702,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.015780743
4703,COc1ccc(OCCNC(O)C=Cc2ccccc2)cc1CN1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.36470833
4704,COc1ccc(OCCNS(=O)(=O)c2cccc(C(C)C)c2)cc1CN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.16113952
4705,COc1ccc(OCCNS(C)(=O)=O)cc1C1CCCC(CCc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2927703
4706,COc1ccc(OCCNS(C)(=O)=O)cc1NCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.070661
4707,COc1ccc(OCCNS(C)(=O)=O)cc1OC1CCCc2ccc(OCC3CCCC3)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.26733205
4708,COc1ccc(S(=O)(=O)NC2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)cc1OC,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82801855
4709,COc1cccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2F)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3093443
4710,COc1cccc(CN2CCN(CCCCC(=O)NC3CCCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48294318
4711,COc1cccc(CN=O)c1-c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6653455
4712,COc1cccc2c1CN1CCc3cc(C)c(OC(=O)Nc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.2566935
4713,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(Br)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.34558687
4714,COc1ccccc1N1CCN(CCN2CCC(CNCc3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.89429325
4715,COc1ccccc1N1CCN(CCN2CCC(Oc3cccc(C(F)(F)F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.89128274
4716,COc1ccccc1N1CCN(CCN2CCC(c3cnc4ccc(F)cc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7867543
4717,COc1ccccc1NC1CCC(OCCOc2ccc(OC)c(SC)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.14919466
4718,CSC1CCN(CCN2CCN(c3ccccc3Oc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8217368
4719,Cc1cc(OCCN2CC(C)CCc3ccccc32)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.20975353
4720,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCS4)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.55678684
4721,Cc1cc(OCCN2CCOC(CCc3ccc(F)cc3)C2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.33645085
4722,Cc1cc(OCCNC(=O)c2cccc(N=S(C)(=O)O)c2)ccc1OCC1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.042358693
4723,Cc1cc(OCCSCCCc2ccc3c(c2)NC(=O)CC3)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.2037894
4724,Cc1ccc2c(-c3cc(C(=O)NCCN4CCN(C)CC4)ccc3N)cccc2n1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.323921
4725,Cc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccccc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66874695
4726,Cc1ccccc1N1CCN(CCN2CCC(c3ncc(-c4ccc(Cl)cc4)o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6159352
4727,ClCCCN1CCN(Cc2cccc(COc3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6390582
4728,Cn1cccc1-c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7482642
4729,Fc1cccc(CN2CCN(CCCc3cccc(-c4ccccn4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6487242
4730,N#Cc1ccc(C(=O)Nc2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3497231
4731,O=C(Nc1ccccc1N1CCN(CCN2CCC(O)CC2)CC1)c1cc2ccccn2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.3508389
4732,O=C1c2ccccc2OS(=O)(=O)N1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62709737
4733,O=CNc1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45412478
4734,O=c1ccc2cccc(CCCN3CCN(Cc4cccc(F)c4)CC3)c2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54360515
4735,Oc1cccc(CCCN2CCN(Cc3cccc(Cl)c3)CC2)n1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.76463705
4736,CC1CCN(CCN2CCN(c3ccccc3OCc3ccc4c(c3)NC(=O)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77303666
4737,CCC1CCc2ccc(CC3CCC3)cc2C1C(=O)Nc1cc(OCCS(C)(=O)=O)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.15850313
4738,CCCOc1ccc(OCNS(C)(=O)=O)c(N2CCC(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34202862
4739,CCCOc1ccc(OF)c(C(=O)Nc2ccc(C)cc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.030909963
4740,CCCOc1ccc(OF)c(CN2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.82015973
4741,CCCOc1ccc(ON2C=CN(C(C)=O)CC2)c(-c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13782577
4742,CCCOc1ccc(ON2CCN(C)CC2)c(-c2ccc(C(F)(F)F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37037283
4743,CCCOc1ccc(ONS(C)(=O)=O)c(NC(=O)COc2ccccc2C2CCCCN2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08201831
4744,CCCOc1ccc(OOC)c(N2CCC(NC(=O)c3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17920619
4745,CCCOc1ccc(OOC)c(NCCc2cccc3ccccc23)c1,[*]CCOc1ccc(O[*])c([*])c1,0.115737714
4746,CCCOc1ccc(OS(C)(=O)=O)c(CCOc2ccc3c(c2)NCCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30055225
4747,CCCOc1ccc(OS(N)(=O)=O)c(N2CCCC(Cc3ccc(OC4CCCCC4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16810426
4748,CCCOc1ccc(OSC)c(CNC(=O)c2ccccn2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.042090993
4749,CCOc1cc2c(cc1OC)CCN1Cc3c(cccc3C(=O)OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39579523
4750,CCc1ccccc1N1CCN(CCN2CCC(n3c(O)nc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6781716
4751,CCc1ccccc1OC1CCN(CCOc2ccc(OC)c(OC)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6110916
4752,CN(Cc1ccccc1)Cc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6650167
4753,CNC(=O)CCOc1ccc(OC)c(CCCc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14127836
4754,CNc1ccccc1N1CCN(CCN2CCC(c3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.49401507
4755,COC1CCN(CCN2CCN(c3ccccc3-c3ccnc(-c4ccc(Br)cc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7560963
4756,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3ccc(C)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.55865854
4757,COCCCN1CCN(Cc2cccc(C3CCC(NC(=O)C4CCCCC4)CC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.41123152
4758,COCCOc1ccc(OC)c(N2CCCN(c3ccccc3OCC(F)(F)F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34657878
4759,COOc1ccc(OCCCCOc2ccc(F)cc2)cc1Cc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.1751615
4760,COc1cc2c(cc1C(=O)Nc1cccc3ccccc13)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.26880866
4761,COc1cc2c(cc1C(=O)OCCc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46290687
4762,COc1cc2c(cc1O)C1Cc3cccc(Cc4cc(C)c[nH]4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7529432
4763,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccc(N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72015464
4764,COc1cc2c(cc1OC)C1Cc3cccc(Cc4cccc(N(C)C)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7244556
4765,COc1cc2c(cc1OC)C1Cc3cccc(SCc4ccc(CO)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.538969
4766,COc1ccc(OCCC(=O)COc2ccccc2)cc1NC(=O)c1ccc(SC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.02283363
4767,COc1ccc(OCCCCCc2ccc(F)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09961289
4768,COc1ccc(OCCN2CCC(Cc3ccc4ccccc4n3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.64170504
4769,COc1ccc(OCCN2CCC(c3ccc(OC4CCC(=O)NC4)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.7085227
4770,COc1ccc(OCCNC(=O)c2ccc(F)c(Cl)c2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.025830582
4771,COc1ccc(OCCNCCCC2CCc3ccccc3CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.4192158
4772,COc1ccc(OCCNS(C)(=O)=O)cc1C1CCCC1COc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.27601823
4773,COc1ccc(OCCNS(C)(=O)=O)cc1NS(=O)(=O)Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.086163975
4774,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.32649326
4775,COc1cccc(CN2CCN(CCCN3C(=O)S(=O)c4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57116264
4776,COc1cccc2c1CN1CCc3cc(C(=O)Nc4cccc(Cl)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32672217
4777,COc1cccc2c1CN1CCc3cc(C)c(OC(C)=O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4537719
4778,COc1ccccc1-c1cc(C(=O)NCCN2CCN([N+](=O)[O-])CC2)ccc1N,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31143934
4779,COc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3ccc4ccc(O)cc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.831682
4780,COc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3cccs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8316774
4781,COc1ccccc1N1CCN(CCN2CCC(c3ccn(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77552485
4782,COc1ccccc1NC(=O)c1ccccc1N1CCN(CCN2CCC(C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.41405627
4783,Cc1cc(OCCCF)ccc1ON1CCCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27514923
4784,Cc1cc(OCCN2CCC(CCc3ccc(F)cc3)CC2)ccc1OO[SH](=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.59018046
4785,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCCCC1CCc1cccc2c1CCC(=O)N2,[*]CCOc1ccc(O[*])c([*])c1,0.16055287
4786,Cc1cc(OCCNC2CCc3ccccc3NC2=O)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.22042389
4787,Cc1cc(OCCNCc2ccncc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.17229426
4788,Cc1cc(OCCS(=O)(=O)N(C)C)ccc1ON1CCCC(Cc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2557671
4789,Cc1cc(OCCSCCc2ccc3c(c2)NC(=O)CC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.12748583
4790,Cc1cccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2C=O)c1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31045035
4791,ClCCCN1CCN(Cc2cccc(NC3OCCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.44101393
4792,O=C1CCc2ccc(COc3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)cc2N1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79690176
4793,O=C1CCc2cccc(CCCN3CCN(Cc4cccc(Cl)c4)CC3)c2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.73474675
4794,O=[N+]([O-])C1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccc(O)nc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.60058385
4795,O=[N+]([O-])c1ccccc1N1CCN(CCN2CCC(c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.63332576
4796,Oc1cccc2c1CN1CCc3cc(NCC=Nc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5308617
4797,CC(=O)c1cccc(NC2CCN(CCOc3ccc(ON=S(C)(=O)O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26852816
4798,CC(O)c1ccccc1N1CCN(CCN2CCC(c3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7034665
4799,CC1Cc2ccccc2N1C(=O)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6021134
4800,CCCOc1ccc(OC)c(CNC(=O)CN2CCC(C(F)(F)F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14564256
4801,CCCOc1ccc(ON)c(N2CCN(c3cccc(C(C)=O)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17680885
4802,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCc3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2023926
4803,CCCOc1ccc(ONS(C)(=O)=O)c(NC(=O)Cc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.00578616
4804,CCCOc1ccc(OS(C)(=O)=O)c(NCCc2cccc3c2NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1687802
4805,CCCOc1ccc(OS(C)(=O)=O)c(Nc2nc(CCC)cs2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06771006
4806,CCCOc1ccc(Oc2ccccc2OCC(F)(F)F)c(NS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0972144
4807,CCOc1ccccc1N1CCN(CCOc2ccc(OC(N)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6000414
4808,CCOc1ccccc1N1CCN(Cc2cc(OCCOC(C)=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6156689
4809,CCOc1ccccc1NCCCOc1ccc(ON=S(C)(=O)O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04548535
4810,CCSc1cc(OCCC(=O)COc2ccc3c(c2)N(CC)C(=O)CC3)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.14215608
4811,COC(=O)c1ccccc1-c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.38925588
4812,COC1CCN(CCN2CCN(c3ccccc3-c3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8213915
4813,COCCOc1ccc(OC)c(CN2CCN(C(C)c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.43879804
4814,COCCOc1ccc(OC)c(CNc2ccccc2Cl)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10271698
4815,COCCOc1ccc(OCOc2cccc(F)c2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13612513
4816,COc1cc2c(cc1C(=O)c1ccc([N+](=O)[O-])cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42841008
4817,COc1cc2c(cc1O)C1Cc3cccc(CNCc4cccnc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64818853
4818,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(OCCF)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6978554
4819,COc1cc2c(cc1O)C1Cc3cccc(OS(=O)(=O)C(F)(F)F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7930766
4820,COc1cc2c(cc1OC)C1Cc3cccc(C(C)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5269991
4821,COc1cc2c(cc1OCc1ccc3ccccc3c1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6539964
4822,COc1cc2c(cc1[N+](=O)Cc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6175889
4823,COc1ccc(OCCF)cc1N1CCN(CS(=O)(=O)c2cccc(Cl)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5346559
4824,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)C2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.60477406
4825,COc1ccc(OCCN2CCC(Cc3ccc4ccccc4n3)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5250248
4826,COc1ccc(OCCN2CCN(c3cccc(Cl)c3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.85846645
4827,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCC(Cc2ccc(OC3CCCC(=O)N3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.20285693
4828,COc1ccc(OCCNC(=O)C=Cc2ccccc2)cc1CN1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24866766
4829,COc1ccc(OCCS(C)(=O)=NO)cc1CN1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.38565832
4830,COc1ccc(OCCS(C)(=O)=O)cc1CC1CC(=O)c2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.17766961
4831,COc1ccc2nc(OC3CCN(CCN4CCN(c5ccccc5C)CC4)CC3)ccc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.60678804
4832,COc1cccc(Cc2cccc3c2CN2CCc4cc(Cl)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61938345
4833,COc1cccc2c1CN1CCc3cc(COc4cccc(Cl)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6333518
4834,COc1ccccc1-c1nc(O)ccc1-c1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66966474
4835,COc1ccccc1N1CCN(COc2ccc(OCCCn3cccc3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7003332
4836,Cc1cc(OCCCN2CCC(c3ccccc3OC3CC3)CC2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.68148696
4837,Cc1cc(OCCN2CC=C(c3ccccc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.35021612
4838,Cc1cc(OCCN2CCCC3CCCCC3C2=O)ccc1ON(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.20666069
4839,Cc1cc(OCCN2CCN(CCc3ccc(F)cc3)C2=O)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.22479713
4840,Cc1cc(OCCN2c3ccccc3CC2C)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.27403
4841,Cc1cc(OCCNCc2ccccc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2630713
4842,Cc1cc2c(cc1Cc1ccc(N(C)C)cc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60401267
4843,Cc1ccc(C2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)cc1C,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69390386
4844,Cc1cccc(-c2cc(C(=O)NCCN3CCN(F)CC3)ccc2Br)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27737877
4845,Cc1cccc2c1CN1CCc3cc(O)c(OCc4ccc(C#N)cc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5523939
4846,Cc1ccccc1N1CCN(CCN2CCC(C(=O)N3CCCc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5223938
4847,Clc1cccc(CN2CCN(CCCCc3cccs3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7381258
4848,NCCc1ccc(-c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64999974
4849,O=C(NCC1CCN(CCN2CCN(c3ccccc3O)CC2)CC1)c1cccs1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71791136
4850,O=C(Nc1ccccc1)Oc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.31148207
4851,O=C1CCc2ccc(-c3cccc(CN4CCN(CCCOCCF)CC4)c3)cc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.75254667
4852,O=c1c2ccccc2n(CCCCN2CCN(Cc3cccc(Cl)c3)CC2)c(=O)n1-c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64339757
4853,OC1CCN(CCN2CCN(c3ccccc3Cc3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.641153
4854,Oc1cc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)co1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6551016
4855,Oc1ccc2c(c1)CC(CNc1ccccc1N1CCN(CCN3CCC(Cl)CC3)CC1)CO2,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.41758043
4856,Oc1cccc2c1CN1CCc3cc(C=NOc4ccccc4Cl)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67528105
4857,c1ccc(CCCN2CCN(Cc3cccc(-c4cccc5cc[nH]c45)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65211576
4858,CC(C)Oc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8292459
4859,CC(C)c1ccccc1N1CCN(CCN2CCC(c3nc(-c4ccccc4)cs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69964176
4860,CCCOc1ccc(OC)c(CNCc2ccc(OC3CCCCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18327257
4861,CCCOc1ccc(OCCOc2ccccc2N2CCNCC2)c(CC(=O)O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2684931
4862,CCCOc1ccc(OCN2CCC(c3ccccc3OC)CC2)c(OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.46507138
4863,CCCOc1ccc(ON2CCC(c3ccc(F)cc3)CC2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34088114
4864,CCCOc1ccc(ON2CCN(C(=O)OCCc3ccc(F)cc3)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12721919
4865,CCCOc1ccc(ON2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08489269
4866,CCCOc1ccc(OOC)c(N2CCCN(c3ccccc3OCCF)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3851373
4867,CCCOc1ccc(OSC)c(C=CC2CCCC2CCOc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2136676
4868,CCCc1c(OC)cccc1-c1cc(OCCOC)ccc1OCNC(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.05911145
4869,CCCc1ccc(C2CCCN(Oc3ccc(OCCNS(C)(=O)=O)cc3C)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.2225528
4870,CCOC(=O)c1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48434165
4871,CCOC1CCN(CCN2CCN(c3ccccc3-c3nc4ccccc4s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73242164
4872,CCc1ccccc1OC1CCCN(CCOc2ccc(OS(C)(=O)=O)c(C)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.40534502
4873,CN(C)c1ccc(Cc2cccc3c2CN2CCc4cc(O)c(CO)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5927502
4874,COC(=O)C1CCC(=O)N1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3523352
4875,COC1CCN(CCN2CCN(c3ccccc3C=CC3CCc4ccc(O)cc4O3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.57128733
4876,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3ccc(Br)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70431644
4877,COc1cc2c(cc1-c1ccc(O)c3ccccc13)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63130474
4878,COc1cc2c(cc1OC)C1Cc3cccc(CNc4ccc(C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44219506
4879,COc1cc2c(cc1OC)C1Cc3cccc(OC(=O)OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39802194
4880,COc1ccc(NC(=O)c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c2ccccc12,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39450464
4881,COc1ccc(OCCC(C)=O)cc1N1CCC(C(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23742518
4882,COc1ccc(OCCCCCc2ccccc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.091765255
4883,COc1ccc(OCCCCOc2ccccc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.14449586
4884,COc1ccc(OCCN(C)C)cc1CNc1ccccn1,[*]CCOc1ccc(O[*])c([*])c1,0.16442578
4885,COc1ccc(OCCN2CCC(C(=O)c3ccccc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.54506713
4886,COc1ccc(OCCN2CCC(F)CC2)cc1NS(=O)(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.5488892
4887,COc1ccc(OCCN2CCCC(CCc3cccc(F)c3)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5650103
4888,COc1ccc(OCCNC(=O)c2ccccc2)cc1CNCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.08050379
4889,COc1ccc(OCCNS(=O)(=O)c2cc(C(C)C)ccc2OC)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06771947
4890,COc1ccc(OCCOS(C)(=O)=O)cc1N1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28876844
4891,COc1ccc(OCCS(C)(=O)=O)cc1-c1cccc(OCC(F)(F)F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1113423
4892,COc1ccc(OCCS(C)(=O)=O)cc1CCN1CCC(c2ccccc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5998507
4893,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(Oc2ccc(CC(F)(F)F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.28625736
4894,COc1ccc2c(C3CCN(CCN4CCN(c5ccccc5OC)CC4)CC3)ccnc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7375087
4895,COc1ccc2c(Cc3cc4c(cc3O)C3Cc5cccc(OC)c5CN3CC4)c[nH]c2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6486978
4896,COc1cccc(CN2CCN(CCCn3c4ccccc4c(=O)n3-c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5723701
4897,COc1cccc(COc2cc3c(cc2OC)C2Cc4cccc(C=O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6442342
4898,COc1cccc2c1CN1CCc3cc(CF)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76948225
4899,COc1ccccc1-c1cc2c(cc1C)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64206415
4900,COc1ccccc1-c1cccc(CN2CCN(CCCc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6793077
4901,COc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccc(F)cc4)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8388972
4902,CSc1ccc(OC2CCN(Oc3ccc(OCCF)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.28908208
4903,Cc1cc(OCCC(=O)N2CCCCC2)ccc1ON1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.09114936
4904,Cc1cc(OCCN2CCC(NS(C)(=O)=O)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6381077
4905,Cc1cc(OCCN2CCC(Oc3ccc4c(c3)NC(=O)CC4)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6392212
4906,Cc1cc(OCCNCCc2cc3ccccc3o2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.14399847
4907,Cc1cc(OCCS(C)(=O)=O)ccc1OC(=O)COc1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.02331974
4908,Cc1ccc(OC2CCCN(c3cc(OCCNS(C)(=O)=O)ccc3OF)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.08349779
4909,Cc1cccc2c1CN1CCc3cc(O)c(C(=O)OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3182433
4910,Cc1ccccc1N1CCN(CCN2CCC(c3nc(-c4ccccc4)ccc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6032397
4911,ClC1CCN(CCN2CCN(c3ccccc3-c3coc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7477647
4912,FC(F)(F)CCCN1CCN(Cc2cccc(-c3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68165267
4913,Fc1cccc(CN2CCN(CCCCc3ccc4ccccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72350305
4914,Fc1cccc(CN2CCN(CCCc3ccc(-c4cccs4)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67879766
4915,Fc1ccccc1N1CCN(CCN2CCC(C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7741339
4916,Fc1ccn(C2CCN(CCN3CCN(c4ccccc4F)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6913291
4917,Fc1cnc(-c2ccccc2N2CCN(CCN3CCC(C(F)(F)F)CC3)CC2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7923658
4918,O=NC(=O)CCN1CCCC1c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58609504
4919,Oc1cnc2cc(Oc3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)ccn12,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6853006
4920,c1ccc(CCCN2CCN(Cc3cccc(-c4cc5ccccc5o4)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72601527
4921,C=CC1Cc2ccccc2N1c1cccc(CN2CCN(CCCOC)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.681715
4922,CC(=O)C1CCN(CCN2CCN(c3ccccc3-c3ncc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77419823
4923,CC(=O)c1cccc(NC(=O)C2CCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22446863
4924,CCCCc1ccc(Nc2cc(OCCC)ccc2ONS(C)(=O)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.045782823
4925,CCCOc1ccc(OF)c(N2CCN(CCc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.71118045
4926,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCCC(COc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25326526
4927,CCCOc1ccc(OOC)c(CNC(=O)c2ccc(CC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.023320353
4928,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3ccccc3C(=O)C3CCCCC3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1885347
4929,CCCOc1ccc(OS(N)(=O)=O)c(CCOc2cccc(F)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12254852
4930,CCOCCCN1CCN(Cc2cccc(-c3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5785369
4931,CCOc1ccccc1N1CCN(CCN2CCC(c3cc(O)nc4cc(OC)ccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6679638
4932,CN=[SH](=O)CCOc1ccc(OC)c(N2CCC(Oc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28217635
4933,CNC1CCC(Oc2ccccc2C=CCCOc2ccc(OOC)c(C)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.25081977
4934,CNCc1ccc(-c2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65796316
4935,COC(=O)c1ccccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1S(C)(=O)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31543854
4936,COC1CCN(CCN2CCN(c3ccccc3-n3ccc(O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78196657
4937,COC1CCN(CCN2CCN(c3ccccc3CN3C(=O)c4ccccc4S3(=O)=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6958948
4938,COCCOc1ccc(OC)c(-c2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15874597
4939,COCCOc1ccc(ONC(=O)c2ccccc2OC)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6959872
4940,CON1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(-c3cccc(Cl)c3Cl)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.24108948
4941,COOc1ccc(OCCCN2CCN(c3ccc(C)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6230621
4942,COOc1ccc(OCCN2CCN(Cc3cccc(OC)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.47653556
4943,COc1cc2c(cc1CF)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8284266
4944,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cc(O)nc4ccccc34)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6242442
4945,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3ccc(OC(F)(F)F)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70878714
4946,COc1cc2c(cc1OC)C1Cc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48975652
4947,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccc(C)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.14652078
4948,COc1ccc(OCCF)cc1NC(=O)C1CCCc2ccc(C(C)=O)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.15311451
4949,COc1ccc(OCCN2CCC(Cc3cccs3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.6172575
4950,COc1ccc(OCCN2CCC(c3ccc(F)cc3)CC2)cc1C=O,[*]CCOc1ccc(O[*])c([*])c1,0.7576861
4951,COc1ccc(OCCN2CCN(c3ccc(F)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.73979527
4952,COc1ccc(OCCN=S(C)(=O)O)cc1CCC1CC(=O)Cc2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.15043277
4953,COc1ccc(OCCNC(=O)c2ccc(CC(F)(F)F)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.023094708
4954,COc1ccc(OCCNS(=O)(=O)c2cc(F)ccc2F)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.061851807
4955,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCNC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.32118246
4956,COc1ccc(OCCNS(C)(=O)=O)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.076748274
4957,COc1ccc(OCCOS(C)(=O)=O)cc1C(O)CCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.16546646
4958,COc1ccc(OCCS(C)(=O)=O)cc1Cc1ccc(CC(C)=O)nc1,[*]CCOc1ccc(O[*])c([*])c1,0.025430039
4959,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(c2ccc(OC3CCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3105274
4960,COc1cccc2c1CCCC2CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65103364
4961,COc1cccc2c1CN1CCc3cc(-c4ccc(CO[O-])cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6278461
4962,COc1ccccc1COc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7554985
4963,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3cc4ccc3CCc3ccc(cc3)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.807178
4964,COc1ccccc1N1CCN(CCN2CCC(C(F)(F)Oc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87955874
4965,COc1ccccc1N1CCN(CCN2CCC(Oc3ccc(-c4ncc5ccccc5n4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7940873
4966,Cc1cc(O)n(C2CCN(CCN3CCN(c4ccccc4OC(F)(F)F)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75370836
4967,Cc1ccc(-c2cc(C(=O)NCCN3CCN(C=O)CC3)ccc2C)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.19246966
4968,Cc1ccc(C(=O)NCCN2CCN(O)CC2)cc1-c1cccc([N+](=O)[O-])c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.20835827
4969,Cc1ccccc1OCCOc1ccc(OCCS(C)(=O)=O)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.07479517
4970,ClCCCN1CCN(Cc2cccc(C3OCCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6170165
4971,Fc1ccc(-c2ccc(-c3ccccc3N3CCN(CCN4CCC(F)CC4)CC3)cc2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7292807
4972,Fc1cccc(CC2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7815867
4973,N#Cc1ccc(C(=O)c2ccccc2N2CCN(CCN3CCC(O)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.642064
4974,O=C(NCCCCN1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)c1cc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5978899
4975,O=Nc1cccc2cc(-c3cc4c(cc3Cl)C3Cc5cccc(O)c5CN3CC4)ccc12,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5793002
4976,O=S(=O)(Oc1cc2c(cc1Br)CCN1Cc3c(O)cccc3CC21)C(F)(F)F,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.722945
4977,O=[N+](Oc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2)c1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6986864
4978,Oc1cc2c(cc1Cc1cccc3[nH]ccc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7926468
4979,Oc1ccc2cc(-c3cccc(CN4CCN(CCCOCCF)CC4)c3)ccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56899416
4980,Oc1cccc2c1CN1CCc3cc(-c4ccsc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7411257
4981,C#Cc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.852633
4982,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3nccs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.809774
4983,CC1CCN(CCN2CCN(c3ccccc3CCc3cc(O)nc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6561462
4984,CCCOc1ccc(OC(=O)O)c(N2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1804341
4985,CCCOc1ccc(OC(N)=O)c(N2c3ccccc3CCC2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17210467
4986,CCCOc1ccc(OCCF)c(COc2cccc(Cl)c2NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1540449
4987,CCCOc1ccc(ON2CCN(c3ccccc3OCC)CC2)c(CO)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30905044
4988,CCCOc1ccc(ONC(C)=O)c(N2CCC(c3ccccc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14973913
4989,CCCOc1ccc(OOC)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8464489
4990,CCCOc1ccc(OS(=O)(=O)O)c(N2CCC(Cc3ccc(OC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22163881
4991,CCCOc1ccc(OS(N)(=O)=O)c(NC(=O)COc2ccccc2CC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0074024834
4992,CCCOc1ccc(OSC)c(N2CCC(c3ccccc3C=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28093117
4993,CCCOc1ccc(OSC)c(N2CCN(c3ccc(OCC(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26880097
4994,CCOc1ccccc1C1CCN(Cc2cc(OCCC(N)=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.438604
4995,CCc1ccc(N2CCN(COc3ccc(OCCN=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.382731
4996,COC(=O)c1cc2c(cc1OC)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5078931
4997,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3cn4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5980266
4998,COCCCN1CCN(Cc2cccc(N3C(=O)C=C(c4ccccc4)C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5617167
4999,CON1CCN(CCNC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])c(C(C)=O)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.36067545
5000,COc1cc(C(=O)NCCN2CCN(c3ccccc3)CC2)ccc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.7856338
5001,COc1cc(O)ccc1Cc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69145525
5002,COc1cc2c(cc1Cc1cc(OC)c3ccccc3c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7314249
5003,COc1cc2c(cc1O)CCN1Cc3c(CC=Cc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72977394
5004,COc1cc2c(cc1O)CCN1Cc3c(CNCc4cccc(F)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64358234
5005,COc1cc2c(cc1O)CCN1Cc3c(cccc3C3CCCC3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6906486
5006,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc(OCc5ccc(C#N)cc5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.622001
5007,COc1cc2c(cc1OC)C1Cc3cccc(Cc4cccc(NC(C)=O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.29232606
5008,COc1cc2c(cc1OCc1ccc(CO)cc1)C1Cc3cccc(F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66572565
5009,COc1ccc(-c2cccc3c2CN2CCc4cc(CO)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6656648
5010,COc1ccc(OC2CCN(Cc3cc(OCCS(C)(=O)=O)ccc3OC)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.3878137
5011,COc1ccc(OCCC(=O)COc2ccc(C(C)C)cc2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.01660054
5012,COc1ccc(OCCCN2CCN(C=O)CC2)cc1-c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.58272713
5013,COc1ccc(OCCCS(=O)(=O)c2cccc(C(C)=O)c2)cc1S(=O)NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.017288521
5014,COc1ccc(OCCN2CCC(c3cccc(C(F)(F)F)c3)C2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.6254127
5015,COc1ccc(OCCN2CCC(c3ccccc3)C2=O)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.3238699
5016,COc1ccc(OCCN2CCCC(C(C)=O)C2)cc1NS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.22740029
5017,COc1ccc(OCCN2CCN(c3ccc(Cl)cc3)CC2)cc1C(=O)NC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6948541
5018,COc1ccc(OCCNC(C)=O)cc1N1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22861962
5019,COc1ccc(OCCS(=O)(=O)N=S(C)(=O)O)cc1CCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.2137386
5020,COc1cccc2c1CN1CCc3cc(-c4ccc(SC)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70669186
5021,COc1cccc2c1CN1CCc3cc(C(=O)NCc4cccc(C(F)(F)F)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47996584
5022,COc1cccc2c1CN1CCc3cc(C)c(CN(C)C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6539977
5023,COc1cccc2c1CN1CCc3cc(C)c(OS(C)(=O)=O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6247117
5024,COc1cccc2c1CN1CCc3cc(NC(=O)C4CCC4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36529848
5025,COc1cccc2c1CN1CCc3cc(O)c(OCc4ccc(N(C)C)cc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6680459
5026,COc1ccccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1N=S(C)(=O)O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35863748
5027,COc1ccccc1N1CCN(CCN2CCC(C(=O)NCc3ccc(C#N)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8454605
5028,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc(-c4ccccn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73786896
5029,COc1ccccc1N1CCN(CCN2CCC(c3cc4ncccc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85208535
5030,COc1ccccc1N1CCN(COc2ccc(OCCF)cc2C)CC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.33636734
5031,CSc1cccc(N2CCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5965492
5032,Cc1cc(OCCCS(N)(=O)=O)ccc1OC(O)COc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.20969324
5033,Cc1cc(OCCN2CCC(Cc3ccc(F)cc3)CC2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5630823
5034,Cc1cc(OCCN2CCC(Sc3ccc(F)cc3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6061637
5035,Cc1cc(OCCc2ccc(F)cc2)ccc1OCNCC1CCCO1,[*]CCOc1ccc(O[*])c([*])c1,0.12658899
5036,Cc1ccccc1N1CCN(CCN2CCC(c3nccn3Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.646604
5037,ClC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4cnccn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7601778
5038,FCCCN1CCN(Cc2cccc(CSc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54567856
5039,N#Cc1cccc(CNC(=O)c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42661467
5040,O=C1CCN=C1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6732981
5041,O=C1N(CCCN2CCN(Cc3cccc(Cl)c3)CC2)CCN1c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67777205
5042,O=C1c2ccccc2CCN1CCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.81061083
5043,O=S(=O)(NC1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1)c1cccc(F)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77030075
5044,Oc1ccccc1N1CCN(CCN2CCC(c3ccc(Cl)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6888438
5045,Oc1cccnc1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7430422
5046,CC(=O)c1ccc(F)cc1CNCCOc1ccc(ON=S(C)(=O)O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07914149
5047,CC(=O)c1ccccc1N1CCN(CCN2CCC(O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.60320926
5048,CC(C)(C)Oc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66414344
5049,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8339875
5050,CCCOc1ccc(OC(C)=O)c(NCC2CCc3ccc(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31151697
5051,CCCOc1ccc(OCN)c(-c2cccc(NC(C)=O)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.041199744
5052,CCCOc1ccc(OCN)c(N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7251286
5053,CCCOc1ccc(OF)c(CN2CCN(C(=O)c3cccc(Cl)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08369468
5054,CCCOc1ccc(ON2CCOC(CCc3ccccc3)C2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37031007
5055,CCCOc1ccc(ONS(C)(=O)=O)c(-c2ccc(OCC(F)(F)F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.074977964
5056,CCCOc1ccc(ONS(C)(=O)=O)c(NCCc2cccc3ccccc23)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09654118
5057,CCCOc1ccc(OOC)c(C(=O)COc2ccc3c(c2)CCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21819922
5058,CCCOc1ccc(OOC)c(C2C(=O)CCc3ccccc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24781296
5059,CCCOc1ccc(OOC)c(CCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16689776
5060,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3noc4cc(F)ccc34)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33140266
5061,CCOc1ccccc1Cc1cc(OCCS(C)(=O)=O)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.09774937
5062,CCOc1ccccc1N1CCCN(CCOc2ccc(OC)c(S(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.79430133
5063,CNOc1ccc(OCCNCCc2ccc3c(c2)CC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.15248239
5064,COC(=O)NCCCOc1ccc(OC)c(CF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07340523
5065,COC(=O)c1cc2c(cc1O)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4918426
5066,COC1CCN(CCN2CCN(c3ccccc3-c3cc(-c4ccccn4)ccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8219517
5067,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3cc4ccc3CCO4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.3626789
5068,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccc4c(c3)OCO4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4101823
5069,COCC1CCN(CCN2CCN(c3ccccc3-n3c(O)nc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6869772
5070,COCCCN1CCN(Cc2cccc(C3(O)CCCc4cc(OC)ccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6084206
5071,COCCCN1CCN(Cc2cccc(C3CCc4c(O)cccc4O3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6326015
5072,COCCOc1ccc(OC)c(CC(=O)Cc2ccc3ccccc3c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.036867812
5073,COCCOc1ccc(ON2CCN(c3ccccc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33047754
5074,COOc1ccc(OCCN2CCC(NS(=O)(=O)c3cccc(C(C)C)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.63523746
5075,COS(=O)(=O)c1ccc(-c2cccc(CN3CCN(CCCCl)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49719748
5076,COc1cc2c(cc1NC(=O)OCc1ccccc1)C1Cc3cccc(Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.31361878
5077,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)C3CCCCC3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4972171
5078,COc1cc2c(cc1OC)C1Cc3cccc(OCc4cccc(CO)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6674826
5079,COc1ccc(OCCN2CCC(Oc3ccc(CC4CCCCC4)cc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.5604754
5080,COc1ccc(OCCN2CCC(c3csc4ccccc34)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5604958
5081,COc1ccc(OCCN2CCCC(CCc3ccc4c(c3)NC(=O)CC4)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.58497757
5082,COc1ccc(OCCN=S(C)(=O)O)cc1NCC1CCCC1CCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.1029973
5083,COc1ccc(OCCNS(C)(=O)=O)cc1CCCc1ccc2c(c1)CCC(=O)N2,[*]CCOc1ccc(O[*])c([*])c1,0.17123312
5084,COc1ccc(OCCS(C)(=O)=O)cc1CCCc1cc(C2CCNCC2)co1,[*]CCOc1ccc(O[*])c([*])c1,0.23481882
5085,COc1ccc(OCCSCCCc2ccc3c(c2)NCC(=O)CC3)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.23670526
5086,COc1ccc2oc(C(=O)NC3CCN(CCN4CCN(c5ccccc5OC)CC4)CC3)cc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8279678
5087,COc1cccc(C2CCN(CCN3CCN(c4ccccc4C(C)=O)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7138626
5088,COc1cccc(CCNc2cc(OCCSC)ccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.112894736
5089,COc1cccc(CN2CCN(CCCC3OCCCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.628698
5090,COc1cccc2c1CN1CCc3cc(C#Cc4ccccc4)c(CO)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58293366
5091,COc1ccccc1N1CCN(CCN2CCC(Cc3ccc(O)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81922394
5092,CSOc1ccc(OCCN2CCCC(Oc3ccc(C)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.34745982
5093,Cc1cc(OCCNC2CCCCN2)ccc1ON1CCC(Oc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31633607
5094,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CC=CC(Cc2cccnc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23791948
5095,Cc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1cccc([N+](=O)[O-])c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.18656918
5096,Cc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccc4)nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.688478
5097,ClCCCN1CCN(Cc2cccc(C3(c4ccccc4)CCCCN3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6991246
5098,Clc1ccccc1N1CCN(CCN2CCC(c3nccc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8808741
5099,FCCCN1CCN(Cc2cccc(Cc3cc4ccccc4[nH]3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.696392
5100,O=C(NC1CCN(CCN2CCN(c3ccccc3O)CC2)CC1)c1ccc(-c2ccccn2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7159118
5101,O=C(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1ccc(F)nn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.45080677
5102,O=C1c2ccccc2C(=O)N1c1ccccc1CCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.71506435
5103,Oc1cc2c(cc1-c1ccsc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7846199
5104,Oc1cc2c(cc1O)C1Cc3cccc(CC4CCCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67483807
5105,Oc1cccc2c1CN1CCc3cc(C=NOc4c(Cl)cccc4Cl)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7133307
5106,CC(=O)c1ccc(Oc2ccc(OCCCN3CCN(C(=O)c4ccccc4)CC3)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.3162025
5107,CC(C)c1ccccc1N1CCN(CCN2CCC(c3ncc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7442359
5108,CC1=COc2ccccc2N1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6485734
5109,CCCOc1ccc(ON2CCC(CCC)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37220877
5110,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(Oc3ccc(C(C)C)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30573717
5111,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCCC2Cc2ccc3c(c2)CC(=O)NCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39853004
5112,CCCOc1ccc(OOC)c(N2CCC(c3ccccc3C=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32562566
5113,CCCOc1ccc(OOC)c(OCC(=O)N2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11114307
5114,CCCOc1ccc(OS(C)(=O)=O)c(CCNC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.023247702
5115,CCCOc1ccc(OSC)c(NC(=O)c2ccc3c(c2)C(O)CCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17070003
5116,CCN(C)Cc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8126027
5117,CCNc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57643485
5118,CCOCCCN1CCN(Cc2cccc(S(=O)(=O)c3ccc(F)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.35201946
5119,CCOCc1cc2c(cc1O)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62463814
5120,COC(=O)c1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5020069
5121,COC1CCN(CCN2CCN(c3ccccc3-c3cc(-c4ccc(F)cc4)on3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7308303
5122,COC1CCN(CCN2CCN(c3ccccc3-n3cc(C)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71715844
5123,COc1cc2c(cc1CC(=O)O)CCC(Oc1cc(OCCS(C)(=O)=O)ccc1OC)C2,[*]CCOc1ccc(O[*])c([*])c1,0.20720088
5124,COc1cc2c(cc1CO)CCN1Cc3c(Cc4cccc(C#N)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.629324
5125,COc1cc2c(cc1OC)C1Cc3cccc(Oc4cccnc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69425696
5126,COc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1C,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6891751
5127,COc1ccc(C(=O)NCCN2CCN(O)CC2)cc1-c1cccc(C(F)(F)F)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27586496
5128,COc1ccc(CCOc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7679243
5129,COc1ccc(Cc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c(OC)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.83762455
5130,COc1ccc(OCCC(N)=O)cc1CN1CCC(c2coc3ccc(F)cc23)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.42623246
5131,COc1ccc(OCCCCCc2ccc3c(c2)CC(=O)CC3)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.23487683
5132,COc1ccc(OCCCOCCc2ccc(F)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.14575802
5133,COc1ccc(OCCF)cc1CS(=O)(=O)NC(=O)c1cc(Cl)ccc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.030240444
5134,COc1ccc(OCCN2CCCN(c3ccccc3OC(C)C)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.72186285
5135,COc1ccc(OCCN2CCN(c3cccc(CS(C)(=O)=O)c3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.79054016
5136,COc1ccc(OCCNC=S(C)(=O)O)cc1N1CCC(Oc2ccc3c(c2)NC(=O)CCC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.44187364
5137,COc1ccc(OCCNCCc2ccc3c(c2)OC(=O)CC3)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.22481044
5138,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(c2c(C=O)sc3ccccc23)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28889406
5139,COc1cccc(CN2CCN(CCCCN3CCOc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62747014
5140,COc1cccc(Cc2cc3c(cc2OC)CCN2Cc4c(cccc4OC)CC32)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52246326
5141,COc1cccc2c1CN1CCc3cc(CNC(=O)Nc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36646816
5142,COc1cccc2c1CN1CCc3cc(C[N+](=O)[O-])c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5533635
5143,COc1ccccc1CCCCN1CCN(Cc2cccc(OCCF)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6621342
5144,COc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccc(O)cc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82647014
5145,COc1ccccc1N1CCN(CCN2CCC(c3ccc(O)nc3-c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7615765
5146,CSc1ccccc1N1CCN(CCN2CCC(c3ccccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82039964
5147,Cc1cc(OCCCN2CCC(Cc3ccc(F)cc3)CC2)ccc1OS(=N)O,[*]CCOc1ccc(O[*])c([*])c1,0.5921543
5148,Cc1cc(OCCN2CCN(C)CC2)ccc1ONS(=O)(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.29572198
5149,Cc1cc(OCCNC(=O)c2ccc(CCCF)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.03391395
5150,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(Cc2ccc3ccccc3c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2105151
5151,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(O)(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2555814
5152,Cc1cc(OCCOC(=O)CCc2ccc3c(c2)NC(=O)CC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.10459525
5153,Cc1cc(OCCS(=O)(=O)O)ccc1ON1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19125909
5154,Cc1cc(OCCSCCCc2ccc3c(c2)NC(=O)CC3)ccc1OOS(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.21143577
5155,N#Cc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccccc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80064356
5156,O=C(CC1CC1)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.29712033
5157,O=C(NCCCCN1CCN(Cc2cccc(CO)c2)CC1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7008604
5158,O=C(OCc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1)C1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5151915
5159,O=c1c2ccccc2n(CCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)n1-c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6075948
5160,OC1=Nc2ccccc2C1c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5988662
5161,OC1CCN(CCN2CCN(c3ccccc3-c3cccc(-c4ccccn4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.694659
5162,OC=Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7537308
5163,Oc1cc2c(cc1-c1ccccn1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6817082
5164,Oc1cc2c(cc1O)C1Cc3cccc(OCc4c[nH]c5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69788915
5165,CC1CCN(CCN2CCN(c3ccccc3COc3ccc4c(c3)CCC(=O)N4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6233951
5166,CCCOc1ccc(OC)c(NC(=O)Cc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08504787
5167,CCCOc1ccc(ON2CCC(c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1,[*]CCOc1ccc(O[*])c([*])c1,0.26454124
5168,CCCOc1ccc(OOC)c(C(O)COc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24289292
5169,CCCOc1ccc(OOC)c(N(C)CC(C)c2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16556363
5170,CCCOc1ccc(OS(C)(=O)=O)c(-c2ccc(CC(F)(F)F)nc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.047378454
5171,CCCOc1ccc(OS(C)(=O)=O)c(NC2CCN(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.43521535
5172,CCCOc1ccc(O[N+](=O)[O-])c(NCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.038737405
5173,CCOCCOc1ccc(OOC)c(CCN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8923423
5174,CCOc1ccccc1C1CCN(CCCOc2ccc(OC)c(SC)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6942801
5175,CCc1ccccc1N1CCN(CCN2CCC(Nc3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74763966
5176,CNS(=O)(=O)Oc1ccc(OCCN2CCC(Oc3ccc(C)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.340587
5177,COC(=O)c1cc(OCCN2CCC(c3ccccc3)CC2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.5438586
5178,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(Br)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8198592
5179,CON1CCN(CCNC(=O)c2ccc(F)c(-c3ccccc3[N+](=O)[O-])c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32593465
5180,CONc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55711144
5181,COOc1ccc(OCCN2CCC(c3ccc(F)cn3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.64829254
5182,COc1cc2c(cc1-c1cccc([N+](=O)F)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6382392
5183,COc1cc2c(cc1CNC(C)=O)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5315122
5184,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(F)c(F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7300863
5185,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc(OC#N)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7029792
5186,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)NCc3ccc(Cl)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48598698
5187,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(C(F)(F)F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71229315
5188,COc1ccc(C)cc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.19218807
5189,COc1ccc(C=CC(=O)Nc2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.39408493
5190,COc1ccc(OCCC(C)C)cc1CN1CCC(S(=O)(=O)c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.46791807
5191,COc1ccc(OCCC(N)=O)cc1NCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.029232828
5192,COc1ccc(OCCC2CCN(C(=O)Cc3ccccc3)CC2)cc1C(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.119196214
5193,COc1ccc(OCCF)cc1CN1CCN(CSC(=O)c2ccc(SC)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28750435
5194,COc1ccc(OCCN2CCC(c3cccc(OCC(F)(F)F)c3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.69887453
5195,COc1ccc(OCCN2CCC(c3cccc(SC)c3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.7525651
5196,COc1ccc(OCCN2CCCC(C(=O)c3ccc(F)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5848545
5197,COc1ccc(OCCN2CCN(C(=O)Cc3ccc(F)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.21936066
5198,COc1ccc(OCCN2CCN(CC3CCCc4ccccc4C3)C2=O)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.45937705
5199,COc1ccc(OCCNC(=O)c2cc3ccccc3s2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.041234948
5200,COc1ccc(OCCNC2CCc3ccccc3C2)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.32770172
5201,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(Oc2ccc(C(C)C)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.26540738
5202,COc1ccc(OCCOC(C)C)cc1CN1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.56493634
5203,COc1ccc(OCCS(C)(=O)=O)cc1Cc1ccc(OCC(F)(F)F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.08463922
5204,COc1ccc(OCCSC)cc1-c1ccccc1OCC(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.16730213
5205,COc1cccc2c1CN1CCc3cc(-c4ccccc4)c(-c4ccccn4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64262784
5206,COc1ccccc1N1CCN(CCN2CCC(N=Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8398175
5207,COc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccccn4)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8789277
5208,COc1ccccc1N1CCN(CCN2CCC(c3ccc(CO)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8746503
5209,COc1ccccc1NC(=O)c1cccc2c1CN1CCc3cc(OCc4ccccc4)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.27903876
5210,CSOc1ccc(OCCNCc2ccco2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.12330618
5211,Cc1cc(OCCN2C3CCC2CC(Cc2ccc(F)cc2)C3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.25862527
5212,Cc1cc(OCCNCC2CCc3ccccc3CCO2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.22681385
5213,Cc1cc(OCCNCCc2cc3ccccc3s2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.17142434
5214,Cc1cc2c(cc1O)CCN1Cc3c(Cc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6091665
5215,Fc1cccc(C#CCOCC2CCN(CCN3CCN(c4ccccc4F)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75688684
5216,N#Cc1ccc(S(=O)(=O)C2CCN(CCN3CCN(c4ccccc4F)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6510425
5217,N#Cc1ccccc1N1CCN(CCN2CCC(c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.86572224
5218,NCCOc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78672993
5219,O=C(NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)c1ccc(-c2cccc(Cl)c2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7573782
5220,O=C(NCCCN1CCN(Cc2cccc(O)c2)CC1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4756963
5221,O=C(Nc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1)C1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.34803733
5222,O=C(c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1cc(O)nc2ccccc12,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6739434
5223,O=C1COc2cc(-c3cccc(CN4CCN(CCCCl)CC4)c3)ccc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64835197
5224,O=C1c2ccccc2N(CCCCN2CCN(Cc3cccc(Cl)c3)CC2)S1(=O)=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7376961
5225,O=S(=O)(NCCCN1CCN(Cc2cccc(F)c2)CC1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.47035757
5226,O=S(=O)(NCc1cccc(CN2CCN(CCCCl)CC2)c1)c1ccc(F)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5505312
5227,O=[N+]([O-])c1ccnc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40593
5228,Oc1ccc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)nn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81580514
5229,CC(=O)Nc1cccc(C2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5239095
5230,CC(=O)c1ccc(OC2CCCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.27392522
5231,CC(C)c1ccccc1N1CCN(CCN2CCC(n3ccc(C=O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7426332
5232,CCC(=O)c1cc2c(cc1C)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4837581
5233,CCCOc1ccc(ONC(C)=O)c(N2CCN(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17555307
5234,CCCOc1ccc(OOC(C)=O)c(N2CCC(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20704533
5235,CCOCCCN1CCN(Cc2cccc(CC(=O)c3ccccc3OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48102653
5236,CCOc1ccccc1NCOc1ccc(OCCOC)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.068315215
5237,CCc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6820828
5238,CCc1ccccc1OC1CCN(c2cc(OCCN=S(C)(=O)O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22314614
5239,COC1CCN(CCN2CCN(c3ccccc3-c3cc(F)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85781676
5240,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccccc4O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7966117
5241,COCCCN1CCN(Cc2cccc(N3CCN(c4ccccc4)C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5797736
5242,COCCOc1ccc(OC(c2ccccc2)c2cccc(NC(C)=O)c2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.013691736
5243,COCCOc1ccc(OC)c(N2CCC(C(=O)c3ccccc3F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20108093
5244,COCCOc1ccc(ON2CCC(Nc3ccccc3F)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21638994
5245,CON1CCN(CCNC(=O)c2ccc(O)c(-c3ccccc3C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32129574
5246,CON=C(c1ccccc1)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59000677
5247,COc1cc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)ccc1F,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.8581226
5248,COc1cc(Cl)ccc1-c1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75266683
5249,COc1cc2c(cc1Cl)CCN1Cc3c(cccc3CN(C)C)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6965969
5250,COc1cc2c(cc1NC(C)=O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43762624
5251,COc1cc2c(cc1O)C1Cc3cccc(Cc4cc(C)ccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72575736
5252,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(OCc4ccccc4)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64064276
5253,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)OCc4ccc([N+](F)(F)F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48304266
5254,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1cccnc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3463621
5255,COc1ccc(C[N+]Cc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79507846
5256,COc1ccc(O)cc1-c1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7982409
5257,COc1ccc(OC2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8526801
5258,COc1ccc(OCCCCCc2ccc(F)cc2)cc1NC(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.022352083
5259,COc1ccc(OCCCl)cc1N1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.43250024
5260,COc1ccc(OCCF)cc1Cc1ccc(Cl)c(N2CCN(S(C)(=O)=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16164184
5261,COc1ccc(OCCN2CCC(=O)C(c3ccccc3)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5251609
5262,COc1ccc(OCCN2CCC(S(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.6392503
5263,COc1ccc(OCCN2CCN(c3ccccc3OC)C2=O)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.31547332
5264,COc1ccc(OCCN2CCNCC2)cc1NC(=O)OCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.19531931
5265,COc1ccc(OCCNC(=O)c2ccc(SC)cc2)cc1CN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.15079162
5266,COc1ccc(OCCNC(C)=O)cc1CCCc1ccc(C)c2oc(F)cc12,[*]CCOc1ccc(O[*])c([*])c1,0.036538202
5267,COc1ccc(OCCNS(C)(=O)=O)cc1CCCc1cc2ccccc2s1,[*]CCOc1ccc(O[*])c([*])c1,0.12052227
5268,COc1ccc(OCCOS(C)(=O)=O)cc1N1CCC(Cc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3536893
5269,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(COc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.35537145
5270,COc1ccc2ccc(OC3CCN(CCOc4ccc(OS(N)(=O)=O)c(C)c4)CC3)cc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.49277735
5271,COc1cccc(CN2CCN(CCCC(=O)c3ccc(Cl)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5658585
5272,COc1cccc2c1CN1CCc3cc(-c4cccc(OC(C)=O)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4965669
5273,COc1ccccc1CN1CCN(c2cc(OCCO)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.75142026
5274,COc1ccccc1N1CCN(CCN2CCC(Nc3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81816953
5275,COc1ccccc1NCC1CCN(Oc2ccc(OCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19806658
5276,CSc1ccc(CN2CCN(Oc3ccc(OCCN=S(C)(=O)O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.33116743
5277,Cc1cc(OCCCN2CCC(NS(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.62583613
5278,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(Cc2ccc3c(c2)NC(=O)CCC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2680514
5279,Cc1cc(OCCNC(=O)Cc2ccc(F)c(F)c2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.021699652
5280,Cc1cc(OCCNCc2ccc(F)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1330028
5281,Cc1cc(OCCNCc2cccs2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.102241784
5282,Cc1cc(OCCS(C)(=O)=O)ccc1ONCCc1ccc2c(c1)CCC(=O)N2,[*]CCOc1ccc(O[*])c([*])c1,0.06837274
5283,Cc1cccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2N)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.34229147
5284,Cc1cccc(CN2CCN(CCCC(=O)N3c4ccccc4CC3(C)C)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6761878
5285,Cc1cccc(CN2CCN(CCCCc3nc4ccccc4s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67177546
5286,Cc1ccccc1N1CCN(CCN2CCC(CNC(=O)N(C)C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7002332
5287,Clc1cccc(CN2CCN(CCCc3ccc(C=Cc4ccccc4)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6913442
5288,O=C(Nc1ccccc1N1CCN(CCN2CCC([N+](=O)[O-])CC2)CC1)c1ccnc2ccc(O)cc12,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.43446717
5289,OC1CCN(CCN2CCN(c3ccccc3-c3ncc(-c4ccccc4)o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7212835
5290,Oc1ccc(-c2ccccc2N2CCN(CCN3CCC(O)CC3)CC2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76456803
5291,CC(C)(C)c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7780522
5292,CC1CCN(CCN2CCN(c3ccccc3-n3c(O)nc4ccc(O)cc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.63846564
5293,CCCOc1ccc(ON2CCC(Oc3ccccc3C=O)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34364057
5294,CCCOc1ccc(ON2CCN(c3ccccc3OCC)CC2)c(SC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36042032
5295,CCCOc1ccc(ON=S(C)(=O)O)c(N2C(=O)CCc3ccc(CC4CCCCC4)cc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17538877
5296,CCCOc1ccc(ONCc2ccccc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1616471
5297,CCCOc1ccc(ONS(C)(=O)=O)c(C2CCN(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5156941
5298,CCCOc1ccc(ONS(C)(=O)=O)c(N2CC(=O)c3ccccc3C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16071932
5299,CCOc1ccccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32934764
5300,CN(C)CCc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79314685
5301,CN(c1ccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)cc1)S(C)(=O)=O,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56363416
5302,CNC(=O)c1cc(OCCNCCc2cccs2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.08599526
5303,CNCCOc1ccc(OS(C)(=O)=O)c(NS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07806131
5304,COCCCN1CCN(Cc2cccc(-c3ccc(N4CCCS4(=O)=O)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5191877
5305,COCCCN1CCN(Cc2cccc(CC(=O)N3C(=O)CCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4990719
5306,COCCOc1ccc(OC)c(C(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.096331686
5307,COCCOc1ccc(OC)c(N2CCCC(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20908952
5308,COCCOc1ccc(OC)c(NC(=O)c2cccc(CN3CCCCC3)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09276187
5309,CON1CCN(CCNC(=O)c2ccc(Br)c(-c3cccc(C)c3C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.25812566
5310,COc1cc2c(cc1C=NO)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65368515
5311,COc1cc2c(cc1O)C1Cc3cccc(CC4CCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73154986
5312,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCCc3ccc(CO)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7500342
5313,COc1cc2c(cc1OC)C1Cc3cccc(Cc4cc(CO)c5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6761587
5314,COc1cc2c(cc1OCc1cccc(CO)c1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6309786
5315,COc1ccc(-c2cc3c(-c4ccccc4N4CCN(CCN5CCC(OC)CC5)CC4)cccn3c2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7259208
5316,COc1ccc(OCCCC2CCC(OC(C)=O)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.0824448
5317,COc1ccc(OCCCNS(=O)(=O)c2cc(C(C)C)ccc2F)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.042108342
5318,COc1ccc(OCCNCCc2ccc3c(c2)CC(=O)CC3)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.21095069
5319,COc1ccc(OCCNCc2ccc(F)cc2)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.15885536
5320,COc1ccc(OCCNCc2cccs2)cc1C=CS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.09883348
5321,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCCC(COc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2626882
5322,COc1ccc(OCCc2ccccc2OCC(F)(F)F)cc1NC(=O)C=Cc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.06945402
5323,COc1ccc2nccc(C(=O)Nc3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)c2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.44183582
5324,COc1cccc(Oc2ccc(Cc3cccc4c3CN3CCc5cc(OC)c(OC)cc5C3C4)cc2)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6225922
5325,COc1cccc2c1CN1CCc3cc(-c4cccc5ccc(O)cc45)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71926415
5326,COc1cccc2c1CN1CCc3cc(C(=O)N(C)Cc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4904151
5327,COc1cccc2c1CN1CCc3cc(Cc4cc[nH]c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70695496
5328,COc1ccccc1C(=O)NCc1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.44382253
5329,COc1ccccc1N1CCN(CCN2CCC(Cc3ccc4c(c3)C(=O)NCC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78773755
5330,COc1ccccc1N1CCN(COc2ccc(OCCCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6716094
5331,COc1ccccc1OCC1CCN(CCN2CCN(c3ccccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8454432
5332,CS(=O)(=O)NCCOc1ccc(OF)c(N2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2263208
5333,Cc1cc(OCCN2CCC(c3cc(C=O)on3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.6259068
5334,Cc1cc(OCCN2CCC(c3ccc(F)cc3)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.58004576
5335,Cc1cc(OCCN2CCN(c3ccc(F)cc3)CC2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.6943648
5336,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCCC(c2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.16948819
5337,Cc1cc(OCCNC2CC=C(c3ccccc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1865081
5338,Cc1cc(OCCNS(C)(=O)=O)ccc1ONCCc1ccc(OC2CCCCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.088914655
5339,Cc1cc2c(cc1NC(=O)Nc1c(Cl)cccc1Cl)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3521675
5340,Cc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1ccccc1[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26212153
5341,Cc1cccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2[O-])c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.21607637
5342,ClC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4nccs4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7505296
5343,Clc1cccc(CN2CCN(CCCC3CC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7576021
5344,FC(F)(F)c1ccn(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7656609
5345,Fc1ccc(C2CCN(CCN3CCN(c4ccccc4F)CC3)CC2)cc1F,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70060164
5346,O=C(Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)C1CC1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4281558
5347,O=CC1c2ccccc2C(=O)N1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.660905
5348,OC1Cc2ccccc2N1Cc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68571794
5349,Oc1c(-c2ccccc2)ccn1Cc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6424568
5350,Oc1cc2c(cc1Cc1ccc(Cl)cc1Cl)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6533442
5351,CC(C)(C)OC(=O)NCc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54943675
5352,CC1Cc2ccccc2N1C(=O)CCCN1CCN(Cc2cccc([N+](=O)[O-])c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5752601
5353,CCCOc1ccc(-c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62237215
5354,CCCOc1ccc(OF)c(NCC2CCN(C=O)c3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27315685
5355,CCCOc1ccc(ONC=O)c(N2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36460435
5356,CCCOc1ccc(OOC)c(N2CCN(c3cccc(OC)c3C(C)C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.41238347
5357,CCCOc1ccc(OS(C)(=O)=O)c(OC(=O)CCc2ccc3c(c2)NC(=O)CCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14094508
5358,CCCOc1ccc(OSC)c(NCCC(=O)c2ccc(F)cc2F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.040229406
5359,CCN(C(=O)CCCN1CCN(Cc2cccc(OC)c2)CC1)C1CCc2ccccc2C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58548737
5360,CCOc1ccccc1N1CCN(CCN2CCC(Oc3ccc4ccc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74655586
5361,CCOc1ccccc1N1CCN(Cc2cc(OCCOC)ccc2Oc2cccc(C(C)=O)n2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.575757
5362,CCc1ccccc1C1CCN(CCOc2ccc(OC)c(SC(C)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.55162483
5363,CCc1ccccc1N1CCN(CCN2CCC(Oc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76448417
5364,CNCC1Cc2ccccc2CC1c1cc(OCCS(C)(=O)=O)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.26519898
5365,COCCOc1ccc(OC)c(-c2ccccc2OCCF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1148976
5366,COCc1cc2c(cc1OCc1ccc(OC)cc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72931606
5367,COc1cc2c(cc1Cc1cccc(O)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.81557494
5368,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccc(OC(F)(F)F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7451807
5369,COc1cc2c(cc1O)CCN1Cc3c(CONCc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.649572
5370,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)OCc4ccc(N(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49802348
5371,COc1cc2c(cc1Oc1ccccc1)CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.667788
5372,COc1ccc(C2CCN(c3cc(OCCNS(C)(=O)=O)ccc3OC)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.35753432
5373,COc1ccc(CC2CCCN(CCOc3ccc(ON=S(C)(=O)O)c(C)c3)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.3311827
5374,COc1ccc(OCCCNC(=O)c2ccc3c(c2)NC(=O)CC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16099618
5375,COc1ccc(OCCCOc2ccc(F)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.12529817
5376,COc1ccc(OCCCS(N)(=O)=O)cc1N1CCCC(CCc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.29770732
5377,COc1ccc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1[N+](=O)[O-],[*]CCOc1ccc(O[*])c([*])c1,0.54247886
5378,COc1ccc(OCCN2CCC(c3ccccc3CF)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.58042204
5379,COc1ccc(OCCN2CCN(Cc3ccccc3Cl)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.58944833
5380,COc1ccc(OCCN=S(C)(=O)O)cc1CC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.2870646
5381,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCC(C)C1,[*]CCOc1ccc(O[*])c([*])c1,0.17218658
5382,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCC(c2ccc(CC(F)(F)F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.17454183
5383,COc1ccc(OCCNCCc2ccc(F)cc2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.15781233
5384,COc1ccc(OCCNS(C)(=O)=O)cc1OC1CCCC(NCc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.19052537
5385,COc1ccc(OCCO)cc1N1CCN(c2ccccc2NC(C)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.08007746
5386,COc1ccc(OCCS(C)(=O)=O)cc1N1C(=O)CCc2ccc(CC3CCC3)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.23153722
5387,COc1ccc(OCCS(C)(=O)=O)cc1N1Cc2ccc(CC3CCCCC3)cc2CC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.18835773
5388,COc1ccc(OCCS(C)(=O)=O)cc1NC(=O)COc1cccc2c1CCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.042915553
5389,COc1ccc(OCCSC)cc1NCCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.1485666
5390,COc1cccc(CN2CCN(CCCCNc3cc(-c4ccccc4)ccn3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61939275
5391,COc1cccc(CN2CCN(CCCCc3cccc(O)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.73027486
5392,COc1cccc(COc2cc3c(cc2O)CCN2Cc4c(C)cccc4CC32)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5270766
5393,COc1ccccc1-c1cc(C(=O)NCCN2CCN(C=O)CC2)ccc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35106593
5394,COc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3ccc(C)c(Cl)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6984558
5395,COc1ccccc1N1CCN(c2cc(OCCS(C)=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.30507687
5396,CSC1CCN(CCN2CCN(c3ccccc3-n3cc(-c4ccccc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7327036
5397,Cc1cc(OCCF)ccc1ON1CCN(CNC(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20541734
5398,Cc1cc(OCCN2CCC(c3ccccc3OC3CC3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.68423015
5399,Cc1cccc(CN2CCN(CCCCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6869029
5400,Cc1cccc2c1CN1CCc3cc(OS(C)(=O)=O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5697153
5401,Cc1ccccc1N1CCN(CCN2CCC(Nc3cccnn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6656801
5402,Clc1cccc(CN2CCN(CCCOc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.8178764
5403,Fc1cccc(CN2CCN(CCCc3cc(-c4cccs4)co3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58796376
5404,Fc1cnn(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.821483
5405,O=C(c1cccc(CN2CCN(CCCF)CC2)c1)c1cc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5322744
5406,O=C1CC2(CCCC2)CC(=O)N1c1cccc(CN2CCN(CCCOC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68844116
5407,O=S(=O)(NC1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1)c1ccccc1F,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78737164
5408,O=S1(=O)CCCN1c1ccccc1-c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5978711
5409,O=[N+]([O-])c1ccccc1N1CCN(CCN2CCC(c3cc4ccccc4o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5756625
5410,O=[N+]([O-])c1ccccc1N1CCN(CCN2CCC(n3c(O)nc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5296966
5411,Oc1cc(-c2ccccc2)cn1-c1ccccc1N1CCN(CCN2CCC(C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80318534
5412,Oc1cc2c(cc1-c1ccccc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7049159
5413,C=CCN1CCCC1Cc1cc(OCCN=S(C)(=O)O)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.18261151
5414,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3ccccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84759724
5415,CC(O)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7228128
5416,CC1(C)c2ccccc2CCOC1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.646897
5417,CCCCNCCOc1ccc(OC)c(CS(N)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17854992
5418,CCCOc1ccc(OCN2CCN(c3ccc(F)cc3)CC2)c(OCCF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.63144517
5419,CCCOc1ccc(OF)c(N2CCN(CC(=O)Oc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30666286
5420,CCCOc1ccc(ON2CCC(C(=O)c3ccc(F)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17024803
5421,CCCOc1ccc(OS(C)(=O)=O)c(NCC(=O)c2ccc(CCC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.030220412
5422,CCCOc1ccc(OS(N)(=O)=O)c(CCOc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11251754
5423,CCCOc1ccc(OSC)c(N2CCN(Cc3cccc(SC)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.74937904
5424,CCNc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51624244
5425,CCOc1ccccc1N1CCN(CCCOc2ccc(ONC(C)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8378054
5426,CCOc1ccccc1N1CCN(CCN2CCC(C(=O)c3cc4ccc3CCc3ccc(cc3)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7807461
5427,CCSc1ccccc1N1CCN(CCN2CCC(c3cccc(-c4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6959702
5428,COC1CCN(CCN2CCN(c3ccccc3-c3ncc(F)c(O)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71976876
5429,COC1CCN(CCN2CCN(c3ccccc3-n3cc(-c4ccc(F)cc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7708154
5430,COc1cc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)ccc1C=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.77744055
5431,COc1cc2c(cc1CNc1cccc3ccccc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5512257
5432,COc1cc2c(cc1Cc1ccccc1)C1Cc3cccc(C(C)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3625221
5433,COc1cc2c(cc1O)C1Cc3cccc(NCc4ccccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51686853
5434,COc1cc2c(cc1O)CCN1Cc3c(cccc3SCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58497155
5435,COc1cc2c(cc1OCc1cccc3ccccc13)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71830434
5436,COc1ccc(C)cc1-c1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6499829
5437,COc1ccc(OCCC(C)C)cc1S(=O)(=O)NC(C)C=O,[*]CCOc1ccc(O[*])c([*])c1,0.08003361
5438,COc1ccc(OCCN2CCC(Nc3ccc(F)c(F)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.29653484
5439,COc1ccc(OCCN2CCC(Oc3ccc(C(C)=O)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.40860128
5440,COc1ccc(OCCN2CCC(c3ccccc3)CC2)cc1C(O)C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.59867924
5441,COc1ccc(OCCN2CCC(c3ccco3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.64219606
5442,COc1ccc(OCCS(C)(=O)=O)cc1CC(Cc1ccc2c(c1)NC(=O)CC2)OC,[*]CCOc1ccc(O[*])c([*])c1,0.23576267
5443,COc1ccc(OCCc2ccc(SC)cc2)cc1CN1CCC(O)(NS(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.32066786
5444,COc1ccc2[nH]ccc2c1-c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6861805
5445,COc1cccc(-c2cc(C(=O)NCCN3CCN(OC)CC3)ccc2OC)n1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3200854
5446,COc1cccc(-c2cccc3c2CN2CCc4cc(C)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5496198
5447,COc1cccc(CN2CCN(CCCCN3COc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6273826
5448,COc1cccc(CNc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43457595
5449,COc1cccc2c1CN1CCc3cc(NC(=O)C4CC4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3876428
5450,COc1ccccc1C1CCN(CCOc2ccc(ON)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.69747275
5451,COc1ccccc1N1CCN(CCN2CCC(c3cc(O)nc4ccc(O)cc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7851013
5452,COc1ccccc1N1CCN(CCN2CCC(c3ncc4ccccn34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83183897
5453,COc1ccccc1N1CCN(CCOc2ccc(OC)c(S(=O)(=O)C(F)(F)F)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8778986
5454,CSOc1ccc(OCCN2CC(Cc3ccc(F)cc3)CS(=O)(=O)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.24485289
5455,CSc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc(O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73979855
5456,Cc1cc(OCCF)ccc1OS(=O)(=O)NCc1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.049188625
5457,Cc1cc(OCCN2CCC(c3ccc(OC4CC4)c(CCC(N)=O)c3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.5188498
5458,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(c2ccc(CCF)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18944098
5459,Cc1cc(OCCNC(=O)Cc2ccc(F)cc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.013830938
5460,Cc1cc(OCCNC(=O)c2ccc(F)c(N3CCNC3)c2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1344415
5461,Cc1cc(OCCNCc2cccc(Cl)c2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.117332034
5462,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCCC(c2ccc(CC(F)(F)F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.20184337
5463,Cc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1ccc2ccccc2c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.28733757
5464,Cc1cccc(CN2CCN(CCCCN3C(=O)c4ccccc4S3(=O)=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72750676
5465,Cc1cccc(CN2CCN(CCCN3C(=O)CCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7736082
5466,Cc1cccc2c1CN1CCc3cc(C(=O)N(C)C)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45366073
5467,Cc1ccccc1N1CCN(CCN2CCC(n3c(-c4ccc(F)cc4)cnc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6096674
5468,ClCCCN1CCN(Cc2cccc(-c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.71874934
5469,O=[N+]([O-])c1cccc(Cc2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49675632
5470,O=c1ccn(C2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)cc1F,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8126557
5471,Oc1ccc(-c2ccc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)nn2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80192125
5472,Oc1cccc(C2CCN(CCN3CCN(c4ccccc4O)CC3)CC2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76172876
5473,CC(C)Oc1ccccc1N1CCN(CCN2CCC(n3c(O)cc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78999126
5474,CC(C)Oc1ccccc1N1CCN(CCN2CCC(n3cc(C(F)(F)F)nc3C(C)(C)C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.735397
5475,CC(O)c1ccccc1N1CCN(CCN2CCC(c3cc(F)ccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71346456
5476,CCCCN1CCN(Cc2cccc(Oc3ccc(F)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5463463
5477,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(O)C(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21998455
5478,CCCOc1ccc(OOC)c(Cc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13313279
5479,CCCOc1ccc(OOC)c(N2CCN(c3ccccc3C(C)=O)C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.095816806
5480,CCCOc1ccc(OS(C)(=O)=O)c(-c2ccc(C(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.059547912
5481,CCCOc1ccc(OS(C)(=O)=O)c(NCCc2ccc(CC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.057011113
5482,CCCc1ccc(CCOc2ccc(OOC)c(C)c2)o1,[*]CCOc1ccc(O[*])c([*])c1,0.10102312
5483,CCOC1CCN(CCN2CCN(c3ccccc3S(=O)(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6470597
5484,CCc1cc2c(cc1-c1ccccc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60105044
5485,CCc1ccccc1C1CCN(CCCOc2ccc(OC)c(SC)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7064993
5486,CNc1ccc(C(=O)NCOc2ccc(OCCOC)cc2C)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.01228817
5487,COC(=O)Nc1ccc(C2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66820526
5488,COC1CCN(CCN2CCN(c3ccccc3NS(=O)(=O)c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5323331
5489,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4cc(C(=O)O)ccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6570102
5490,CON1CCN(CCNC(=O)c2ccc(Br)c(-c3ccc(C)c(C)c3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.18644097
5491,COOc1ccc(OCCN2CCC(c3ccccc3C)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6076281
5492,COc1cc(C(=O)NCCN2CCN([N+](=O)[O-])CC2)ccc1-c1cccc(Cl)c1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.21537222
5493,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(C(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.702659
5494,COc1cc2c(cc1O)C1Cc3cccc(OC(=O)c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48912454
5495,COc1cc2c(cc1O)C1Cc3cccc(Oc4ccc5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.811757
5496,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc4cc(C#N)ccc4c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64717245
5497,COc1ccc(Cl)cc1S(=O)(=O)NOc1ccc(OCCNS(C)(=O)=O)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.05998005
5498,COc1ccc(OCCC(=O)COc2ccc3c(c2)NC(=O)CC3)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.18958925
5499,COc1ccc(OCCCCCc2ccc3c(c2)CC(=O)CC3)cc1C=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.18027866
5500,COc1ccc(OCCCCc2ccccc2)cc1C(=O)N1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.087839395
5501,COc1ccc(OCCF)cc1CNC1CCN(S(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21074975
5502,COc1ccc(OCCN2CCC(F)CC2)cc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.46893454
5503,COc1ccc(OCCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1C(=O)N(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.69318295
5504,COc1ccc(OCCNC(=O)Cc2ccc3c(c2)CCCC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06780116
5505,COc1ccc(OCCNCCc2ccc(F)cc2)cc1S(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.13706277
5506,COc1ccc(OCCNCCc2ccc(OC3CCCCC3)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.15772362
5507,COc1ccc(OCCS(=O)(=O)c2ccc(C(C)C)cc2)cc1N1CCCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.11682534
5508,COc1ccc(OCCS(C)(=O)=O)cc1OC(=O)COc1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.026518652
5509,COc1cccc(CN2CCN(CCCCc3ccc(C)c(=O)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6014828
5510,COc1cccc2c1CN1CCc3cc(-c4cc5ccccc5s4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7431122
5511,CSOc1ccc(OCCNCCc2cccs2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.16787276
5512,CSc1ccc(CC2CCN(Cc3cc(OCCN)ccc3ONS(C)(=O)=O)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.38552952
5513,C[N+]C(=O)c1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53490937
5514,Cc1cc(OCCN2CCC(Cc3ccc(OC4CCCCC4)cc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.51443845
5515,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6493448
5516,Cc1cc(OCCN2CCCC(Cc3cccc(C(F)(F)F)c3)C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.35463467
5517,Cc1cc(OCCN=S(N)(=O)O)ccc1ONCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.043849755
5518,Cc1cc(OCCOC(=O)CCc2ccc3c(c2)CNC(=O)CC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.065035574
5519,Cc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3cccc(C#N)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50670826
5520,Cc1ccc(CCCCN2CCN(Cc3cccc(Cl)c3)CC2)oc1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5988148
5521,Cc1cccc(CC(=O)NCCOc2ccc(ON3CCCCC3)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.045893494
5522,Cc1cccc(CN2CCN(CCCc3cccc(C=Cc4ccccc4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6546484
5523,Cc1sc2ccccc2c1-c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.566181
5524,Fc1cccc(CN2CCN(CCCc3ncc(-c4ccccc4)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61480117
5525,N#Cc1cccc(CN2CCN(CCCCNC(=O)c3ccc4ccccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68457496
5526,O=C(NCCc1ccccc1)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39846084
5527,O=C(c1ccccn1)C1CCN(CCN2CCN(c3ccccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6715793
5528,O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.76336366
5529,O=C1c2ccccc2S(=O)(=O)N1CCc1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69102114
5530,O=S(=O)(NCCCCN1CCN(Cc2cccc(Cl)c2)CC1)c1cccs1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6771033
5531,O=c1cccc(CCCCN2CCN(Cc3cccc(Cl)c3)CC2)o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7247419
5532,OC(=NCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)Nc1c(Cl)cccc1Cl,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49566853
5533,OCCCCN1CCN(Cc2cccc(Cc3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67676616
5534,Oc1cccc2c1CN1CCc3cc(COCc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7388932
5535,CC(=O)NCCOc1ccc(OS(C)(=O)=O)c(NS(=O)(=O)c2ccc(C(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.036931444
5536,CC(C)C1CCN(CCN2CCN(c3ccccc3-n3cc4ccccc4c3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7220825
5537,CCCOc1ccc(OC=[SH]O)c(NCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05997201
5538,CCCOc1ccc(OF)c(N2CCN(C(=O)c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05301471
5539,CCCOc1ccc(ON2CCCN(c3ccccc3OC)CC2)c(OC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14611559
5540,CCCOc1ccc(ON2CCN(c3ccccc3OCC)CC2)c(N=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3090818
5541,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3cccc4ccc(F)cc34)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36229724
5542,CCCOc1ccc(OS(C)(=O)=O)c(NCCc2ccc(C(F)(F)F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05478282
5543,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(COc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4244091
5544,CCCc1ccc(C(=O)NOc2ccc(OCCF)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.035307065
5545,CCOc1cc2c(cc1N)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7065611
5546,CCOc1cccc2c1CN1CCc3cc(CO)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7253849
5547,CCOc1cccc2c1CN1CCc3cc(OC)c(-c4ccc(OC)cc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7451803
5548,CCOc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccc(F)cn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79577845
5549,CCc1ccc(OCC(=O)Nc2cc(OCCC=O)ccc2OC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.011466255
5550,CNc1cccc(Cc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5030565
5551,COC(=O)C1(CCCN2CCN(Cc3cccc(Cl)c3)CC2)CCCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53102946
5552,COC(=O)c1cccc2c1CN1CCc3cc(OCc4ccccc4)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4835491
5553,COC1CCN(CCN2CCN(c3ccccc3S(=O)(=O)c3cccs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.735688
5554,COCCCN1CCN(Cc2cccc(N3c4ccccc4CC3CO)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62747777
5555,COCCOc1ccc(OCF)c(CCNC(=O)c2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0327593
5556,COCCOc1ccc(OCOc2ccccc2C(C)C)c(CN2CCCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27972794
5557,COCCOc1ccc(ON2CCN(C(C)=O)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06545347
5558,COCc1cccc2c1CN1CCc3cc(C)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7039344
5559,COOc1ccc(OCCNCc2ccco2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.11810626
5560,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)OCc3ccc4c(c3)CCCC4)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5152537
5561,COc1cc2c(cc1OC)C1Cc3cccc(C=NC(C)c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6730595
5562,COc1ccc(CS(=O)(=O)c2cc(OCCCF)ccc2OC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.11586896
5563,COc1ccc(NC(=O)c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40075675
5564,COc1ccc(OCCC2CCN(C=O)C2)cc1N1CCC(CC(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27688769
5565,COc1ccc(OCCCCCc2ccc3c(c2)CC(=O)CC3)cc1C=S(=O)(O)O,[*]CCOc1ccc(O[*])c([*])c1,0.18866304
5566,COc1ccc(OCCCCc2ccccc2)cc1N1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.40474337
5567,COc1ccc(OCCN2CCCC(c3ccc(F)cc3)C2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.61248785
5568,COc1ccc(OCCN2CCN(c3cccc(C(F)(F)F)c3)CC2C)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.47468445
5569,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(Oc2ccc3c(c2)CNC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.41796333
5570,COc1ccc(OCCNCCC2CCc3ccc(C(N)=O)cc3C2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.27632973
5571,COc1ccc(OCCN[SH](C)(=O)O)cc1CCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.24962513
5572,COc1ccc(OCCS(C)(=O)=O)cc1CN1CCC(c2ccc(OC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5488081
5573,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Cc2ccc(F)cc2)CC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.24721718
5574,COc1ccc(OCCS(N)(=O)=O)cc1CCOc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.2568537
5575,COc1ccc2[nH]cc(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)c2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81356466
5576,COc1cccc(CCCCCOc2ccc(OS(N)(=O)=O)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13315827
5577,COc1cccc(CN2CCN(CCCCN=CC3Nc4ccccc4C(=O)N3c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5476321
5578,COc1cccc(CN2CCN(CCCSc3ccc(F)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60347444
5579,COc1ccccc1CC1CCN(CCCOc2ccc(OSC)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6343598
5580,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc4nccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8493231
5581,COc1ccccc1N1CCN(c2cc(OCCC#N)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.36087036
5582,Cc1cc(OCCCS(=O)(=O)c2ccc(F)cc2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.06973023
5583,Cc1cc(OCCF)ccc1OCN1CCC(NS(=O)(=O)c2cccc(Cl)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.5592887
5584,Cc1cc(OCCF)ccc1ONCC1CCc2ccc(S(C)(=O)=O)cc2CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22835284
5585,Cc1cc(OCCN2CCN(Cc3ccco3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2955017
5586,Cc1cc(OCCNS(=O)(=O)Cc2ccc(S(C)(=O)=O)cc2)ccc1O[SH](C)C,[*]CCOc1ccc(O[*])c([*])c1,0.056060806
5587,Cc1cc(OCCNS(C)(=O)=O)ccc1OCN1CCC(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.44100404
5588,Cc1cc2c(cc1OCc1ccc(C#N)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63351905
5589,N#CC1CCN(CCN2CCN(c3ccccc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.89053226
5590,Nc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8006685
5591,O=C(Cc1cccc(CN2CCN(CCCCl)CC2)c1)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6044
5592,OCc1cccc2c1CN1CCc3cc(-c4cccc(OC(F)(F)F)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6179492
5593,Oc1cc(CCC2CCN(CCN3CCN(c4ccccc4F)CC3)CC2)c2ccccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6086955
5594,Oc1nc2ccc(-c3cccc(CN4CCN(CCCCl)CC4)c3)cc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6587387
5595,Oc1nccn1-c1ccccc1N1CCN(CCN2CCC(C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76449484
5596,CC(=O)Nc1ccc(-c2ccccc2N2CCN(CCN3CCC(C)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.51143837
5597,CC(=O)c1ccc(C(=O)NCCOc2ccc(ONS(C)(=O)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.014430482
5598,CC(C)Oc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3cccc(F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8008122
5599,CCCN1Cc2ccc(C(=O)NCCOc3ccc(OC)c(S(C)(=O)=O)c3)cc2CCC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.1197975
5600,CCCOc1ccc(OCNS(C)(=O)=O)c(CCOc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22320083
5601,CCCOc1ccc(OOC)c(CC2CCN(c3ccc(Cl)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38653636
5602,CCCOc1ccc(OOC)c(CN2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6584491
5603,CCCOc1ccc(OOC)c(CN2CCc3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6018017
5604,CCCOc1ccc(OOC)c(CNC(=O)c2ccc(CCF)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03766521
5605,CCCOc1ccc(OS(C)(=O)=O)c(CCn2ccc(CCC)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1016475
5606,CCCOc1ccc(OS(C)(=O)=O)c(OC(=O)CCc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17233245
5607,CCc1cccc(OCC(=O)NCCOc2ccc(OOC)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.014708492
5608,CNC(=O)CCOc1ccc(OC)c(N2CCCC(Cc3ccc(OC4CCCC4)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13079919
5609,COC(=O)c1cccc2c1CN1CCc3cc(C=Cc4ccccc4)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4566408
5610,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4cc(C(N)=O)ccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68328947
5611,COCCOc1ccc(OC)c(NC2CCC(Oc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22044845
5612,COCCOc1ccc(OCc2ccc(Cl)cc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.077262975
5613,COOc1ccc(OCCN2CCC(c3ccccc3F)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.64057034
5614,COc1cc2c(cc1N)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7521422
5615,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(OC(F)(F)F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74370116
5616,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)COc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4680701
5617,COc1cc2c(cc1OC)C1Cc3cccc(CCCNC(C)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5500329
5618,COc1cc2c(cc1OCc1cccc([N+](=O)[O-])c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4276094
5619,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc([N+](=O)[O-])c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48746985
5620,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccccc1C(=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.37235627
5621,COc1ccc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)cc1SC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.89439446
5622,COc1ccc(OCCCC(=O)c2ccc(F)cc2)cc1SCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.107714094
5623,COc1ccc(OCCF)cc1CN1CCN(CC(C)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2925055
5624,COc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1C(=O)Nc1ccccc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.005989419
5625,COc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1CNCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.05242629
5626,COc1ccc(OCCOS(C)(=O)=O)cc1NCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07086783
5627,COc1ccc(OCCS(N)(=O)=O)cc1CN1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5523452
5628,COc1cccc(CN2CCN(CCCC3CNC(=O)N3c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.50196373
5629,COc1cccc(CN2CCN(CCCc3ccc4c(c3)CC(=O)N4)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5753824
5630,COc1cccc(CN2CCN(CCCn3ccc(C=O)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5373647
5631,COc1cccc2c1CN1CCc3cc(-c4cccc(ON(C)C)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59074295
5632,COc1ccccc1N1CCN(CCN2CCC(C(O)c3ccc4nc(O)cnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7239599
5633,COc1ccccc1N1CCN(CCN2CCC(Cc3ccc(OC(F)(F)F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7144601
5634,COc1ccccc1N1CCN(CCN2CCC(c3ccn(-c4ccc(F)cc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82671374
5635,COc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccc(F)cc4)c4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79935646
5636,Cc1cc(OCCCN2CCC(NC(=O)c3ccc(Cl)cc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.6204906
5637,Cc1cc(OCCF)ccc1OCN1CCC(S(=O)(=O)c2ccc(C(C)C)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.38995093
5638,Cc1cc(OCCF)ccc1OCN1CCN(c2ccco2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4466279
5639,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCC4)C2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.48547137
5640,Cc1cc(OCCN2CCC(c3ccc(Br)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6249616
5641,Cc1cc(OCCNC(=O)c2ccccc2)ccc1ON1CCC(Cc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.15600397
5642,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCCC(CCc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.24809846
5643,Cc1cccc(CN2CCN(CCCC(=O)c3cc4ccccc4s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55253243
5644,Cc1ccccc1N1CCN(CCN2CCC(Oc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65631384
5645,Cc1ccccc1N1CCN(CCN2CCC(n3ccc(Br)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7465008
5646,FC(F)(F)CCCN1CCN(Cc2cccc(-c3ccc(C(F)(F)F)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5883997
5647,Fc1ccc(C#CCOCc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7645406
5648,O=C(C=Cc1ccccc1)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3979921
5649,O=C(Nc1ccc(Cl)cc1Cl)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41918266
5650,O=C(OCc1cccc(CN2CCN(CCCF)CC2)c1)C1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51944274
5651,O=S(=O)(c1cccc(CN2CCN(CCCF)CC2)c1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5047036
5652,O=c1oc2ccccc2cc1CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6975608
5653,OCc1ccc(OCc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.748944
5654,Oc1cc2c(cc1-c1cc(F)ccc1F)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.80490685
5655,Oc1ccc2c(c1)OC(c1cccc(CN3CCN(CCCOCCF)CC3)c1)CC2,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.740719
5656,Oc1nccc(C2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7931041
5657,Sc1nc2cccc(CCCN3CCN(Cc4cccc(Cl)c4)CC3)c2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61638856
5658,CC1CC1c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7382887
5659,CC1CCN(CCN2CCN(c3ccccc3-c3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79018366
5660,CC1CCN(CCN2CCN(c3ccccc3C(=O)C3Nc4ccc(F)cc4C(=O)N3c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64793456
5661,CCC(=O)Nc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.23738973
5662,CCCOc1ccc(OCN2CCC(c3ccccc3)CC2)c(C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.51583785
5663,CCCOc1ccc(OCNc2ccccc2OCC)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.063390136
5664,CCCOc1ccc(OF)c(CN2Cc3ccccc3CC2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33850673
5665,CCCOc1ccc(ON2C=CN(C(C)=O)CC2)c(NCCc2ccc(F)cn2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.120423645
5666,CCCOc1ccc(ON2CCN(C)CC2)c(CCF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40503907
5667,CCCOc1ccc(ON2CCN(c3ccc(C)c(F)c3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25544536
5668,CCCOc1ccc(OOC)c(CCNC(=O)c2ccccc2N2CCNC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20694828
5669,CCCOc1ccc(OS(C)(=O)=O)c(C(F)Cc2ccc(OC3CCNCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29363194
5670,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(CNc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29477826
5671,CCOc1ccccc1N1CCN(CCN2CCC(n3cc(Br)ccc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77591026
5672,CCOc1ccccc1N1CCN(COc2ccc(OCCOC)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.59518194
5673,CNS(=O)(=O)Oc1ccc(OCCN2CCCC(Cc3ccc(OC4CCCCC4)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.2729333
5674,COC1CCN(CCN2CCN(c3ccccc3-c3cc(-c4ccccc4)cc(N)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77440643
5675,COC1CCN(CCN2CCN(c3ccccc3-c3n[nH]c4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77410835
5676,COCC1CCN(Cc2cc(OCCCS(=O)(=O)c3cc(F)ccc3F)ccc2OC)C1,[*]CCOc1ccc(O[*])c([*])c1,0.516237
5677,COCCOc1ccc(OC(=O)Nc2ccc(F)cc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.013955896
5678,COOc1ccc(OCCN2CCC(c3ccc(S(C)(=O)=O)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.57656515
5679,COOc1ccc(OCCN2CCCN(c3ccccc3OC)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.35316727
5680,COc1cc2c(cc1CO)C1Cc3cccc(Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61736065
5681,COc1cc2c(cc1Cc1cccc(Cl)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65783465
5682,COc1cc2c(cc1O)C1Cc3cccc(CCNc4cccc(C)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47724757
5683,COc1cc2c(cc1Sc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75792426
5684,COc1ccc(CC(F)CCOc2ccc(ON=S(=O)([O-])OC)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.034815326
5685,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCC4)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6897144
5686,COc1ccc(OCCN2CCC(c3ccccc3)CC2)cc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.7568231
5687,COc1ccc(OCCN2CCCC2=O)cc1NS(=O)(=O)c1ccccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.15325873
5688,COc1ccc(OCCN=S(C)(=O)O)cc1-c1c(CC2CCCCC2)ccc2c1NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.2398644
5689,COc1ccc(OCCN=S(C)(=O)O)cc1NC(=O)COc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.008146334
5690,COc1ccc(OCCNCc2cc3ccccc3s2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16222368
5691,COc1ccc(OCCNS(C)(=O)=O)cc1NCCc1cccc2c1CC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.13400114
5692,COc1ccc(OCCSC)cc1N1CCC(COc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.37501654
5693,COc1cccc(-c2ccc(C(=O)NCCN3CCN(OC)CC3)cc2S(C)(=O)=O)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3390246
5694,COc1cccc(CN2CCN(CCCc3cccc4c3OCO4)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56786335
5695,COc1cccc2c1CN1CCc3cc(-c4ccc(Cl)cc4F)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72224456
5696,COc1cccc2c1CN1CCc3cc(-c4cccc5cc(N(C)C)ccc45)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6228173
5697,COc1ccccc1-c1cccc2c1CN1CCc3cc(O)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6014905
5698,COc1ccccc1C1CCN(CCN2CCN(c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7037354
5699,COc1ccccc1N1CCN(CCN2CCC(c3ccc4c(n3)CCCC4=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6118268
5700,CSOc1ccc(OCCNC(=O)COc2ccc3c(c2)N(C)C(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.094907336
5701,CSOc1ccc(OCCNC(=O)Cc2ccc(N3CCN(C)CC3)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.091292
5702,CSOc1ccc(OCCNC2CCCCC2(O)c2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.17324284
5703,Cc1cc(OCCC(=O)COc2ccc3c(c2)NC(=O)CC3)ccc1ON1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.16358846
5704,Cc1cc(OCCNCc2ccncc2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.17749839
5705,Cc1cc(OCCNS(=O)(=O)Cc2ccc(F)cc2)ccc1ON1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27990812
5706,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCN(c2ccccc2OCC(F)(F)F)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.32881382
5707,Cc1cc2c(cc1C#N)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67348367
5708,Cc1cccc2c1CN1CCc3cc(-c4ccc(C#N)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6122409
5709,Cc1ccccc1N1CCN(CCN2CCC(c3nccn3Cc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.59601086
5710,Clc1cccc(CN2CCN(CCCc3coc(C=Cc4ccccc4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6572715
5711,Fc1cnc(-c2ccccc2N2CCN(CCN3CCC(F)CC3)CC2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69888073
5712,N#Cc1ccc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)nn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7602273
5713,N#Cc1cccc(Cc2cccc3c2CN2CCc4cc(OO)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6499781
5714,O=C(c1cc[nH]c1)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6273443
5715,O=C1CCCN1Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36035112
5716,O=[N+]([O-])c1cccc(Cc2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50060314
5717,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3cccc(O)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79702914
5718,CCCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5469416
5719,CCCOc1ccc(OC#N)c(-c2ccccc2OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.111434996
5720,CCCOc1ccc(ON2CCC(C)(O)Cc3ccccc32)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32974663
5721,CCCOc1ccc(OOC)c(CN2CCCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.78167653
5722,CCCOc1ccc(OS(=O)(=O)N(C)C)c(N2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3477905
5723,CCCOc1ccc(OS(C)(=O)=O)c(NCC=Cc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09241634
5724,CN(C)S(=O)(=O)c1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5780569
5725,CNOc1ccc(OCCN2CCCC(Cc3ccc(F)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.3792084
5726,COC1CCN(CCN2CCN(c3ccccc3NS(=O)(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.48079553
5727,COCCCN1CCN(Cc2cccc(-c3ccco3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5334904
5728,COCCOc1ccc(OC)c(CN2CCN(C(=O)Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1264429
5729,CON1CCN(CCNC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])c([N+](=O)[O-])c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33907968
5730,COOc1ccc(OCCCNS(=O)(=O)c2cc(C(C)C)ccc2F)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.031688012
5731,COc1cc2c(cc1CO)C1Cc3cccc(CCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6556411
5732,COc1cc2c(cc1NC(C)=O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3632191
5733,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(OC(F)(F)F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7703588
5734,COc1cc2c(cc1O)CCN1Cc3c(CNC(=O)CO)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40952054
5735,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cc(C)ccc3C)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6397699
5736,COc1cc2c(cc1OC)C1Cc3cccc(-c4cc(C#N)ccc4C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63560534
5737,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)NCCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42634746
5738,COc1ccc(-c2cc(C(=O)NCCN3CCN([N+](=O)[O-])CC3)ccc2OC)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.21702246
5739,COc1ccc(C(=O)NCCN2CCN([N+](=O)[O-])CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.21718077
5740,COc1ccc(C(=O)NCCOc2ccc(OC)c(CN3CCCCC3)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.14206322
5741,COc1ccc(CC2CCN(CCOc3ccc(OSC)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.57881826
5742,COc1ccc(COc2ccc(OCCS(C)(=O)=O)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06594427
5743,COc1ccc(F)cc1NC1CCN(CCOc2ccc(OCc3cccs3)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.48885593
5744,COc1ccc(OCCC(=O)COc2ccc(F)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.025711983
5745,COc1ccc(OCCC(C)=O)cc1N1CCC(c2ccc(CCF)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1971872
5746,COc1ccc(OCCCC2CCc3ccccc3C2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.45930368
5747,COc1ccc(OCCCN2CCC(c3ccccc3OC3CC3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.7011741
5748,COc1ccc(OCCF)cc1C(=O)NCc1ccc(S(C)(=O)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.039216384
5749,COc1ccc(OCCN2CCC(Oc3ccc(F)cc3)CC2)cc1[SH](C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5436783
5750,COc1ccc(OCCN2CCCC(Cc3cccs3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4092132
5751,COc1ccc(OCCNC(C)=O)cc1NS(=O)(=O)c1ccc(Cl)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.014662501
5752,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(Oc2ccc3c(c2)NC(=O)CCC3=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25164446
5753,COc1ccc(OCCOCCc2ccccc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.11894528
5754,COc1cccc(CC2CCN(CCOc3ccc(ON)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6582142
5755,COc1cccc(CN2CCN(CCCc3cc4ccccc4s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64979714
5756,COc1cccc(CN2CCN(CCCn3ccccc3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5744676
5757,COc1cccc2c1CN1CCc3cc(-c4cccc(C#N)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.657318
5758,COc1cccc2c1CN1CCc3cc(C(C)OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72372305
5759,COc1cccc2c1CN1CCc3cc(NC(C)=O)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34278247
5760,COc1ccccc1-c1cc(C(=O)NCCN2CCN(C)CC2)ccc1SC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.34106395
5761,COc1ccccc1CN1CCN(CCOc2ccc(OC)c(S(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5267852
5762,COc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4cccc(O)c4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.840596
5763,CSOc1ccc(OCCCNC(=O)c2ccc(C3CCCCN3)s2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.094010524
5764,Cc1cc(OCCC(F)(F)F)ccc1ONCC1Cc2ccccc2CC1C,[*]CCOc1ccc(O[*])c([*])c1,0.30499223
5765,Cc1cc(OCCN2CCC(Oc3ccc(Cl)cc3)CC2)ccc1OCl,[*]CCOc1ccc(O[*])c([*])c1,0.6021638
5766,Cc1cc(OCCN2CCC(c3ccccc3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.6981743
5767,Cc1cc(OCCN2CCCC(CSc3ccc(F)cc3)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4154748
5768,Cc1cc(OCCN2CCN(C)CC2)ccc1OCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.48896834
5769,Cc1cc(OCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.33196253
5770,Cc1cc(OCCN=S(C)(=O)O)ccc1OCN1CC(=O)c2ccccc2C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.09533432
5771,Cc1cc(OCCNCCc2cccc3c2NC(=O)CC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.1363618
5772,Cc1cc(OCCNS(=O)(=O)Cc2cc(F)ccc2F)ccc1ON1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.2689949
5773,Cc1cc(OCCOC(=O)CCc2ccc3c(c2)NC(=O)CC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09518817
5774,Cc1ccc(C(=O)NCCN2CCN(Cl)CC2)cc1-c1ccccn1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32687578
5775,Cc1ccccc1N1CCN(CCN2CCC(CCNC(=O)C3CCCCC3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.62412727
5776,Cc1ccccc1N1CCN(CCN2CCC(c3ccc(F)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7505302
5777,O=C(c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2)C1CC1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5524223
5778,O=C1Cc2ccccc2N(c2cccc(CN3CCN(CCCCl)CC3)c2)C1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7496861
5779,O=c1ccc2cccc(CCCN3CCN(Cc4cccc([N+](=O)[O-])c4)CC3)c2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.36343557
5780,Oc1cc2c(cc1OC(F)(F)F)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.86579055
5781,Oc1cccc2c1CN1CCc3cc(Sc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68547565
5782,CC(=O)NCCCc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52252513
5783,CC1CCN(CCN2CCN(c3ccccc3-c3ccc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7119431
5784,CC1CCN(CCN2CCN(c3ccccc3-c3ncccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7258332
5785,CC1Cc2ccccc2N(c2cccc(CN3CCN(CCCCl)CC3)c2)C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6808648
5786,CC=S(=O)(O)c1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6595867
5787,CCCOc1ccc(OC)c(CCN2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8866567
5788,CCCOc1ccc(OC)c(NC(=O)c2ccc(C=C(C)C#N)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.017886544
5789,CCCOc1ccc(OCCF)c(OCCN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.9040989
5790,CCCOc1ccc(OCNc2ccccc2OCCF)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12484613
5791,CCCOc1ccc(OF)c(CN2CCN(CCc3ccc(C(=O)OC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2809971
5792,CCCOc1ccc(ON2CCN(c3ccccc3OCC)CC2)c(NS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.347407
5793,CCCOc1ccc(ON2CCN(c3ccccc3OCCF)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.44637832
5794,CCCOc1ccc(ONS(C)(=O)=O)c(CNCCC2COc3c(C(C)C)ccc4cc(ccc34)O2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14896607
5795,CCCOc1ccc(OS(C)(=O)=O)c(NC2CCC(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19530854
5796,CCCOc1ccc(OS(C)(=O)=O)c(N[SH](=O)(CC)c2ccc3c(c2)CCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16456866
5797,CCCOc1ccc(OS(N)(=O)=O)c(CC(O)Cc2ccc3c(c2)NCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23603813
5798,CNC(=O)Oc1ccc(OCCN2CCN(c3ccccc3OC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.70355624
5799,COC(=O)C1CCN(CCN2CCN(c3ccccc3Oc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8283347
5800,COC(=O)c1cccc(CN2CCN(CCCCc3ccccc3OC)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46621224
5801,COC1CCN(CCN2CCN(c3ccccc3-c3ncc(-c4ccccc4)o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73305166
5802,COCCCN1CCN(Cc2cccc(-c3cccc(-c4ccsc4)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58620083
5803,COCCCN1CCN(Cc2cccc(Cc3cccs3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6007805
5804,COCCOc1ccc(OC)c(N2CCN(c3ccccc3OCC(F)(F)F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39120442
5805,COOc1ccc(OCCCN2CCN(Cc3ccccc3OC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.61108476
5806,COOc1ccc(OCCN2CCCC(c3ccccc3OC)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5164045
5807,COc1cc2c(cc1-c1cccc(O)c1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6271424
5808,COc1cc2c(cc1N1CCCC(O)C1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5739306
5809,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)Nc4ccc(F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.33640212
5810,COc1cc2c(cc1OSCc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69644827
5811,COc1ccc(OCCC(C)=O)cc1CCC(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.053008083
5812,COc1ccc(OCCC(N)=O)cc1CN1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.47975436
5813,COc1ccc(OCCN2CCC(c3ccccc3C)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5566739
5814,COc1ccc(OCCN2CCC(c3cccs3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.7865903
5815,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.023847895
5816,COc1ccc(OCCS(=O)(=O)N=O)cc1N1CCC(COc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.38499424
5817,COc1ccc(OCCS(C)(=O)=O)cc1NCCc1cccc2c1CCC(=O)N2,[*]CCOc1ccc(O[*])c([*])c1,0.12735336
5818,COc1ccc(OCCS(N)(=O)=O)cc1C1CCC(CC(=O)c2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19914001
5819,COc1ccc(OCCc2ccccc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.108314626
5820,COc1ccc2cc(OCc3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)ccc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6663193
5821,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3cccc(C#Cc4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8712895
5822,COc1ccccc1N1CCN(CCN2CCC(COc3cccc4cc(C(N)=O)ccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74177796
5823,COc1ccccc1N1CCN(CCN2CCC(c3cn(-c4ccccc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8401396
5824,Cc1cc(OCCN2CCC(Cc3ccc4ccccc4n3)CC2)ccc1OOS(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.53127986
5825,Cc1cc(OCCN2CCC(Oc3ccc4c(c3)NC(=O)CC4)CC2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.61844355
5826,Cc1cc(OCCN2CCC(c3cc(Cc4ccccc4)on3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5223481
5827,Cc1cc(OCCNCCc2ccccn2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.1342353
5828,Cc1cc(OCCOS(C)(=O)=O)ccc1ON1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27018315
5829,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25247037
5830,Cc1cccc(CN2CCN(CCCc3cccc(C#N)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66999876
5831,Cc1cccc2c1CN1CCc3cc(O)c(CNc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32849896
5832,Cc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc(C#N)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.63972723
5833,Cc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5308442
5834,Cc1ccccc1OC1CCN(Oc2ccc(OCCN=S(C)(=O)O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.13233048
5835,ClC1CCN(CCN2CCN(c3ccccc3-c3cc(-c4ccccc4)no3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75962615
5836,ClC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccncc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7796823
5837,N#Cc1ccc(Cc2cccc3c2CN2CCc4cc(Cl)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6630193
5838,O=S1(=O)NC(c2cccc(CN3CCN(CCCCl)CC3)c2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63978684
5839,O=[N+]([O-])C1CCN(CCN2CCN(c3ccccc3-c3cc(O)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5994838
5840,O=c1ncc(F)cn1CC1CCN(CCN2CCN(c3ccccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66407555
5841,OCCc1ccc(-c2cccc3c2CN2CCc4cc(Cl)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66915965
5842,Oc1ccc(Cc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66824967
5843,Oc1ccc2c(C3CCN(CCN4CCN(c5ccccc5O)CC4)CC3)cccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7978049
5844,Oc1cccc2c1CN1CCc3cc(-c4cccs4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76639074
5845,Oc1cccc2c1CN1CCc3cc(C4CCCCC4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5752
5846,CC(=O)NCCOc1ccc(ONS(C)(=O)=O)c(CNCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03548649
5847,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3ncnc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6977269
5848,CC1(C(=O)NCc2cccc(CN3CCN(CCCF)CC3)c2)Cc2ccccc2C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63170344
5849,CC1CCc2ccccc2N1C(=O)CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.696154
5850,CC=Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74706113
5851,CCCCNc1cc(OCCC)ccc1OS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.055872396
5852,CCCOc1ccc(OCN2CCN(c3ccccc3OC)CC2)c(Cc2cccc(OC)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.72444385
5853,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(c3ccc(CCF)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19865079
5854,CCCOc1ccc(ONS(C)(=O)=O)c(C2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20335971
5855,CCCOc1ccc(OOC)c(CNC(=O)c2c(OC)cccc2N2CCNC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14228588
5856,CCCOc1ccc(OOS(C)(=O)=O)c(NS(=O)(=O)C2CCC(Cc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14602026
5857,CCCOc1ccc(OS(C)(=O)=O)c(CCCc2ccccc2OC2CCNC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.319228
5858,CCCOc1ccc(OSC)c(N2CCC(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23538627
5859,CCOCCOc1ccc(OC)c(CF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09772034
5860,CCONCc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7247806
5861,CCOc1cccc(CN2CCN(CCCCc3ccc4ccccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6425483
5862,CCOc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7775313
5863,CCc1ccc(OCC(=O)NCCOc2ccc(OS(C)(=O)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.015254092
5864,COC1CCN(CCN2CCN(c3ccccc3-n3cc(C(F)(F)F)nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7070636
5865,COC1CCN(CCN2CCN(c3ccccc3-n3ccc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67240494
5866,COC1CCN(CCN2CCN(c3ccccc3C(O)c3ccc(F)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66806996
5867,COC1CCN(CCN2CCN(c3ccccc3C(O)c3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6286496
5868,COCCCN1CCN(Cc2cccc(-c3ccccc3NC3CCCCC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.36746854
5869,COCCCOc1ccc(OC)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.80919623
5870,CONc1ccc(-c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69888794
5871,COOc1ccc(OCCCOc2ccc(F)cc2)cc1CCN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8455552
5872,COc1cc2c(cc1C(=O)Cc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45336634
5873,COc1cc2c(cc1Cc1ccc(N(C)C)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7318065
5874,COc1cc2c(cc1O)C1Cc3cccc(C#CCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78856796
5875,COc1cc2c(cc1O)C1Cc3cccc(C4CCCCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6623876
5876,COc1cc2c(cc1OC)C1Cc3cccc(OCc4ccc([N+](=O)[O-])cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49709004
5877,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(C4CCCCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6128808
5878,COc1ccc(C(=O)NC2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)c(OC)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9046721
5879,COc1ccc(OCCC(C)COc2ccccc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.13313863
5880,COc1ccc(OCCCOC(C)=O)cc1NS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.031217556
5881,COc1ccc(OCCF)cc1CNC(=O)c1ccc(N(C)S(C)(=O)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.020877037
5882,COc1ccc(OCCN2CCC(Oc3ccc(CC4CCC(=O)N4)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.50293124
5883,COc1ccc(OCCN2CCC(c3ccccc3)CC2)cc1SNS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.58445615
5884,COc1ccc(OCCN2CCCC(Cc3ccc(F)cc3)C2)cc1SSc1ccc(C(C)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.3016967
5885,COc1ccc(OCCNC(C)=O)cc1N1CCC(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22799005
5886,COc1ccc(OCCS(=O)(=O)C(F)(F)F)cc1N1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.26900965
5887,COc1ccc2cnc(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)cc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70323765
5888,COc1cccc(CN2CCN(CCCCSc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6458124
5889,COc1cccc(COc2cc3c(cc2O)CCN2Cc4c(cccc4OC)CC32)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6182263
5890,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3cc4ccc(F)cc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7876774
5891,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccco3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77933174
5892,COc1ccccc1N1CCN(CCN2CCC(N3C(=O)c4ccccc4C3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8542458
5893,COc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68816584
5894,COc1ccccc1N1CCN(CCN2CCC(c3nc(-c4ccccc4)ccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81861573
5895,COc1ccccc1N1CCN(CCN2CCC(n3ccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87934166
5896,COc1cnc(-c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7341565
5897,CSOc1ccc(OCCC(=O)Cc2ccc(OC3CCNCC3)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.07976954
5898,CSOc1ccc(OCCNCCc2ccc3c(c2)C(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.17472959
5899,Cc1cc(OCCCCCc2ccc3c(c2)CC(=O)CC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.17178653
5900,Cc1cc(OCCNC(=O)c2ccccc2C)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.017025387
5901,Cc1cc(OCCNCCCC2CCc3ccccc3C2O)ccc1ONS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.23575424
5902,Cc1ccccc1N1CCN(CCN2CCC(C(=O)c3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64125896
5903,Cc1ccccc1N1CCN(CCN2CCC(CNC(=O)Nc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.50947773
5904,Cc1ccsc1-c1cc(C(=O)NCCN2CCN(C)CC2)ccc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.20282853
5905,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)N1CCC2CCCCC21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51722014
5906,O=C(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1ccccc1C#Cc1ccccc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4109139
5907,O=C([O-])Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4122385
5908,O=S(=O)(Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2)C(O)(F)F,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4897816
5909,CC1CCN(CCN2CCN(c3ccccc3Cc3ccncc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7442801
5910,CCCOc1ccc(OCC(=O)Nc2ccccc2Cl)c(CN(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.02061726
5911,CCCOc1ccc(OCN)c(N2CCN(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3604798
5912,CCCOc1ccc(ON2CCN(c3ccccc3OC)CC2)c(N=S(C)(=O)O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17926234
5913,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(Cc3ccc4c(c3)NC(=O)CCC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32639393
5914,CCCOc1ccc(OOC)c(N2CCCC(CC(=O)c3cccs3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18133485
5915,CCCOc1ccc(OOC)c(N2CCN(CCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7347131
5916,CCCOc1ccc(OOCC)c(N2CCN(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3327656
5917,CCOc1ccccc1N1CCN(CCN2CCC(F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8366522
5918,CCS(=O)(=O)Oc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7243392
5919,CN(C)c1ccc(Cc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.704071
5920,CN1CCN(CCNC(=O)c2ccc(Cl)c(-c3ccccc3Oc3ccccc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.37574944
5921,COC(=O)[N+](=O)c1cccc(Cc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.37117738
5922,COC(=O)c1cc2c(cc1O)CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42251024
5923,COC1CCN(CCN2CCN(c3ccccc3-c3c(O)nc4ccccc4c3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5937498
5924,COC1CCN(CCN2CCN(c3ccccc3-c3cc(O)ncc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69547087
5925,COC1CCN(CCN2CCN(c3ccccc3C(O)C3COc4ccc(O)cc4C3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.605006
5926,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3ccnc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66915625
5927,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccc(C#Cc2ccccc2)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3456016
5928,COc1cc(C(=O)NCCN2CCN(O[O-])CC2)ccc1-c1ccccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26168025
5929,COc1cc2c(cc1Cc1cccc(OC(F)(F)F)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65211105
5930,COc1cc2c(cc1O)C1Cc3cccc(OC(C)NCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65443397
5931,COc1cc2c(cc1OC)C(=O)N(C(C)c1cc(OCCF)ccc1OC)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.29385284
5932,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc([N+](=O)O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6665085
5933,COc1cc2c(cc1OC)C1Cc3cccc(CNC(=O)c4cccc5cc[nH]c45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42239147
5934,COc1cc2c(cc1OC)C1Cc3cccc(NC(=O)OC(C)(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32103646
5935,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(cccc3-c3ccccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62850666
5936,COc1ccc(COc2cc3c(cc2OC)C2Cc4cccc(Cc5cccc(OC)c5)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6351847
5937,COc1ccc(COc2cc3c(cc2OC)CCN2Cc4c(cccc4C(C)C)CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76584154
5938,COc1ccc(F)cc1SCCCCOc1ccc(ONS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.055194877
5939,COc1ccc(OCCC(C)Cc2ccc(F)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09341656
5940,COc1ccc(OCCCN2CCC(c3ccccc3F)CC2)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.721566
5941,COc1ccc(OCCN2CCCC(CCc3cccs3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4127505
5942,COc1ccc(OCCNC(=O)Cc2ccc3c(c2)N(C)C(=O)CC3)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.09582273
5943,COc1ccc(OCCS(=O)(=O)Cc2ccc(C(C)=O)cc2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.03054458
5944,COc1ccc(OCCS(=O)(=O)Nc2ccc(C(C)C)cc2)cc1N1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.103735894
5945,COc1ccc2ccc(CC3CCN(CCOc4ccc(OC)c(N=S(C)(=O)O)c4)CC3)cc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.48213258
5946,COc1cccc(CN2CCN(CCCCc3ccc(-c4ccccc4)oc3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6146048
5947,COc1cccc(CN2CCN(CCCNC(=O)Nc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.2125372
5948,COc1cccc2c1CN1CCc3cc(NCc4cccc(C#N)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39736593
5949,COc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccnc(F)c4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8591895
5950,COc1ccccc1N1CCN(CCN2CCC(c3cnn4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8262968
5951,COc1ccccc1N1CCN(CCN2CCC(c3coc(-c4ccc(Br)cc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7218524
5952,COc1ccccc1NC(=O)Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.41460162
5953,COc1cccnc1Nc1cccc(C2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6342028
5954,CSc1ccc(C(=O)N2CCC(NOc3ccc(OCCF)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.087969184
5955,CSc1cccc2c1CC(CNCOc1ccc(OCCF)cc1C)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.36491874
5956,Cc1cc(OCCC(=O)COc2ccccc2)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.027658937
5957,Cc1cc(OCCCN(C)S(C)(=O)=O)ccc1ON1CCC(Cc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2803571
5958,Cc1cc(OCCNC(=O)OCCc2ccccc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.058585666
5959,Cc1cc(OCCNC(O)CCc2ccc3c(c2)NC(=O)CC3)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.1354066
5960,Cc1cc(OCCNCc2ccccc2)ccc1OOS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.260051
5961,Clc1cccc(CN2CCN(CCCCc3coc4ccccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.79965854
5962,FCC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82578874
5963,NC(=O)Oc1cccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45943624
5964,O=C(NCc1ccccc1)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73196936
5965,O=C(c1ccc(F)cc1)c1ccccc1N1CCN(CCN2CCC(F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6703747
5966,OC1CCN(CCN2CCN(c3ccccc3-n3ccc(-c4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7258575
5967,OCC=Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7570865
5968,OCc1ccc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c2ccccc12,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7019145
5969,Oc1cccc2c1CN1CCc3cc(OCc4ccccc4)c(Oc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7471673
5970,CCC(=O)[N+](=O)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48970142
5971,CCCOc1ccc(OC)c(CNC(=O)C2CCCCN2S(=O)(=O)c2cccc(Cl)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07044105
5972,CCCOc1ccc(OC)c(CS(=O)(=O)c2ccccc2CCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1630705
5973,CCCOc1ccc(OCNS(C)(=O)=O)c(NCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06583071
5974,CCCOc1ccc(OCn2ccc(CCC(=O)O)c2)c(NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.020787513
5975,CCCOc1ccc(OF)c(CN2CCCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7255242
5976,CCCOc1ccc(ONC(CC2CCCNC2)c2ccc(F)cc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25545153
5977,CCCOc1ccc(ONC)c(-c2ccc(C(C)=O)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.026462479
5978,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCCC(COc3ccc4c(c3)NC(=O)CC4)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33330372
5979,CCCOc1ccc(OS(=O)(=O)O)c(CN2CCC(c3ccccc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4066875
5980,CCCOc1cccc2c1CN1CCc3cc(O)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7082238
5981,CCOC1CCN(CCN2CCN(c3ccccc3-n3c(O)cc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7381857
5982,CCOc1cc2c(cc1Cc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7324762
5983,COC(=O)NCCOc1ccc(OC)c(N2CCC(c3coc4cc(F)ccc34)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20464544
5984,COC(C)C1CCN(CCN2CCN(c3ccccc3NS(=O)(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.467817
5985,COC1CCN(CCN2CCN(c3ccccc3-c3nc4ccccc4o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7206893
5986,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3cc4ccccc4ccc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6567852
5987,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4nc(O)ncc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79837334
5988,COCCCN1CCN(Cc2cccc(CNC(=O)c3cncc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.33696312
5989,COc1cc2c(cc1-c1ccccc1C#N)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7374922
5990,COc1cc2c(cc1C(=O)OCc1ccc(CO)cc1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3742144
5991,COc1cc2c(cc1O)C1Cc3cccc(C(=O)NCc4cccc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50912154
5992,COc1cc2c(cc1O)C1Cc3cccc(C(O)=CCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63737017
5993,COc1cc2c(cc1O)CCN1Cc3c(cccc3C3CCCCN3CC#N)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6194197
5994,COc1ccc(OCCC(C)=O)cc1N1CCC(c2ccccc2OC2CC2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23586099
5995,COc1ccc(OCCC(C)COc2ccccc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.105447374
5996,COc1ccc(OCCC(C)Cc2ccccc2)cc1N1CCCC1[SH](=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.24446554
5997,COc1ccc(OCCN=S(C)(=O)O)cc1NC(=O)Cc1ccc(C2CCNC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.050436944
5998,COc1ccc(OCCNC(C)=O)cc1N1CCC(Cc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.26157102
5999,COc1ccc(OCCNC=O)cc1N1CCC(Oc2ccc(C(C)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20633847
6000,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(COc2cc3c(cc2F)CCC(=O)N3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28992602
6001,COc1ccc(OCCSCCCc2ccc3c(c2)NC(=O)CC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.25629613
6002,COc1cccc(CN2CCN(CCCC3C(C)CCN3S(=O)(=O)c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.45484716
6003,COc1cccc2c1CCC(CCCN1CCN(Cc3cccc(Cl)c3)CC1)C2,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72481805
6004,COc1cccc2c1CN1CCc3cc(CCCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7216328
6005,COc1cccc2c1CN1CCc3cc(Cc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7573882
6006,COc1ccccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.408561
6007,COc1ccccc1CC1CCN(CCOc2ccc(ON=S(=O)(O)O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.52034795
6008,COc1ccccc1CN1CCN(COc2ccc(OCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4464219
6009,COc1ccccc1N1CCN(CCN2CCC(CCc3ccncc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8333638
6010,CS(=O)(=O)Oc1ccc(OCCNCc2ccccc2)cc1C=O,[*]CCOc1ccc(O[*])c([*])c1,0.31896266
6011,CSOc1ccc(OCCN2CCC(c3ccccc3OC3CCCC3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5486533
6012,Cc1cc(OCCC(=O)COc2ccccc2)ccc1OSN(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.026291095
6013,Cc1cc(OCCCN2CCC(Cc3ccc4ccccc4c3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.58151704
6014,Cc1cc(OCCF)ccc1OCN1CCN(C=S(C)(=O)O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18711948
6015,Cc1cc(OCCN2CCN(c3ccc(Cl)cc3)CC2)ccc1OSO,[*]CCOc1ccc(O[*])c([*])c1,0.6787492
6016,Cc1cc(OCCN2CCNC(CCc3ccccc3)C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.3923183
6017,Cc1cc(OCCNCc2ccco2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.109142
6018,Cc1cc(OCCNS(=O)(=O)c2cc(C(C)C)ccc2F)ccc1ON1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.13422245
6019,Cc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7110019
6020,Cc1ccccc1N1CCN(CCN2CCC(Nc3ccnc(O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5828605
6021,FC(F)(F)c1ccccc1N1CCN(CCN2CCC(Nc3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82663715
6022,O=C(Nc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2)Nc1cccc2ccncc12,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.29158336
6023,O=C1N(c2cccc(Cl)c2)CCN1c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6241314
6024,O=S(=O)(Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2)c1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4303341
6025,O=S(=O)(Nc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46387506
6026,OCc1cc2c(cc1O)CCN1Cc3c(Cc4ccc(OCc5ccccc5)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5632474
6027,Oc1c2ccccc2cn1-c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66232044
6028,Oc1c2ccccc2cn1Cc1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59425783
6029,Oc1cccn1CCCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62015975
6030,CC(=O)COc1ccccc1N1CCN(Oc2ccc(OCCO[SH](C)(C)=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.17060548
6031,CC(C)c1ccccc1N1CCN(CCN2CCC(c3cn4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6915105
6032,CCC(C)Oc1ccccc1N1CCN(CCN2CCC(c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77083576
6033,CCCOc1ccc(OC(F)COc2ccccc2)c(C(=O)NCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03147366
6034,CCCOc1ccc(OCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33730844
6035,CCCOc1ccc(OCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.60302824
6036,CCCOc1ccc(OF)c(CN2CCN(c3cccc(Cl)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6733942
6037,CCCOc1ccc(OS(C)(=O)=O)c(CNc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07020473
6038,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)Cc2ccc(Cl)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.008432035
6039,CCCOc1ccc(OS(N)(=O)=O)c(CC2CCc3ccc(CCC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4739237
6040,CCCOc1ccc(OS(N)(=O)=O)c(CCc2ccc(OC3CCN(C)CC3)c(CC)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.42530626
6041,CCCOc1ccc(OS(N)(=O)=O)c(CN2CCC(Oc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.49816084
6042,CCOC(=O)Oc1ccc(OCCCN2CCN(c3ccccc3OCC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.7363144
6043,CCOc1cc2c(cc1OC)C1Cc3cccc(CO)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7286842
6044,CCOc1ccc(C2CCN(Oc3ccc(OCCS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.21629456
6045,CCOc1ccccc1N1CCN(c2cc(OCCCF)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3372219
6046,CN(C)C(=O)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5186807
6047,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccncc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7456357
6048,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4nccs4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76913095
6049,COC1CCN(CCN2CCN(c3ccccc3COc3cc4ccccc4nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6918638
6050,COC1CCN(CCN2CCN(c3ccccc3NC(=O)C3CCc4ccccc4C3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.49839148
6051,COCCCN1CCN(Cc2cccc(C(=O)NCc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.40711802
6052,COCCOc1ccc(OC)c(CNC(=O)Cc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03555226
6053,COCCOc1ccc(ON2CCN(C(=O)c3ccccc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06284887
6054,CON1CCN(CCNC(=O)c2ccc(N)c(-c3cccc(C)c3C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27278042
6055,COOc1ccc(OCCN2CCC(CCc3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6675251
6056,COOc1ccc(OCCNCCc2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.17547788
6057,COc1cc2c(cc1Cl)C1Cc3cccc(C(C)[N+](=O)c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63332325
6058,COc1cc2c(cc1O)CCN1Cc3c(CO[O-])cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7303656
6059,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53710884
6060,COc1ccc(COc2cc3c(cc2OCc2ccccc2)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70622706
6061,COc1ccc(CS(=O)(=O)NCCOc2ccc(OS(C)(=O)=O)c(C)c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.14840327
6062,COc1ccc(OCCNC(=O)c2ccccc2)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.72250587
6063,COc1ccc(OCCNS(=O)(=O)c2ccccc2C(C)C)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.081188
6064,COc1ccc(OCCNS(C)(=O)=O)cc1NCCc1ccncc1,[*]CCOc1ccc(O[*])c([*])c1,0.068298474
6065,COc1ccc(OCCOS(C)(=O)=O)cc1-c1ccc(CC(F)(F)F)cn1,[*]CCOc1ccc(O[*])c([*])c1,0.06494882
6066,COc1ccc(OCCS(C)(=O)=O)cc1-c1c(CC2CCCCC2)ccc2c1NCC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.26328102
6067,COc1ccc(OCCS(C)(=O)=O)cc1CCCC1=CC(=O)NC2=C(C=C1)CCC(=O)N2,[*]CCOc1ccc(O[*])c([*])c1,0.17364998
6068,COc1ccc(OCCS(C)(=O)=O)cc1NC(=O)COc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.04655112
6069,COc1cccc(CN2CCN(CCCC(=O)c3ccc4ccccc4c3OC)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54623806
6070,COc1cccc2c1CN1CCc3cc(-c4cccc([N+](=O)O)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61054325
6071,COc1cccc2c1CN1CCc3cc(C=Nc4cccc(Cl)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6163261
6072,COc1cccc2c1CN1CCc3cc(CO)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7159819
6073,COc1ccccc1N1CCN(CCN2CCC(c3cnc4ccc(Br)cn34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7267505
6074,COc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccn4)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8270151
6075,CSc1cccc(CN2CCN(CCCCN3C(=O)c4ccccc4S3(=O)=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6948345
6076,CSc1ccccc1N1CCN(CCN2CCC(c3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7814537
6077,C[N+](=O)c1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6169505
6078,Cc1cc(OCCN=S(C)(=O)O)ccc1OCC(CCN1CC1)Oc1ccccc1C,[*]CCOc1ccc(O[*])c([*])c1,0.36378127
6079,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(Oc2ccccc2C=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27430567
6080,Cc1cc(OCCOS(C)(=O)=O)ccc1ON1CCC(c2ccc(OCC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19401342
6081,Cc1cc(OCCc2ccc(F)cc2)ccc1OOCC1CCCN1,[*]CCOc1ccc(O[*])c([*])c1,0.21565753
6082,Cc1cc2ccccc2n1Cc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60475814
6083,Cc1cccc(CN2CCN(CCCCC(=O)c3nc4ccccc4s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60095674
6084,Cc1ccccc1N1CCN(CCN2CCC(c3cccc(-c4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72496045
6085,Cc1ccccc1N1CCN(CCN2CCC(c3nnc(C(F)(F)F)s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6802416
6086,O=C(C=Cc1ccccc1)NCCc1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61893535
6087,O=C(NCc1cccc(CN2CCN(CCCCO[O-])CC2)c1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54454905
6088,O=c1ccc(OCc2cccc(CN3CCN(CCCCl)CC3)c2)cc2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5452345
6089,Oc1cc2c(cc1Cn1cccc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7421229
6090,CC(=O)OOc1ccc(OCCN2CCCC(C(=O)c3ccc(F)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.32661676
6091,CCCCN1CCN(Cc2cccc(-n3cc(F)ccc3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54751015
6092,CCCOc1ccc(ON)c(NCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11638066
6093,CCCOc1ccc(ON2CCN(c3ccccc3OC)CC2)c(CN=S(C)(=O)O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14833854
6094,CCCOc1ccc(OO)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8273579
6095,CCCOc1ccc(Oc2cc3c(cc2OC)CCCC3)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27464673
6096,CCCOc1ccccc1N1CCN(CCOc2ccc(OOC)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.78495014
6097,CCNC(=O)Oc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4478991
6098,CCOc1cccc(CN2CCN(CCCc3ccc(Cl)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6175443
6099,CCS(=O)(=O)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50402623
6100,CNOc1ccc(OCCN2CCC(Cc3cc4ccccc4s3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5345659
6101,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccccc3C3CCCC3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.40520194
6102,COCCCN1CCN(Cc2cccc(-c3cccc4ccccc4c3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5417835
6103,COCCCN1CCN(Cc2cccc(Nc3ccccc3OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.38930637
6104,COCCOc1ccc(OC)c(CCCOc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15997931
6105,COCc1cccc2c1CN1CCc3cc(OCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7034211
6106,COc1cc2c(cc1C(=O)c1ccc3ccccc3c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54099756
6107,COc1cc2c(cc1O)C1Cc3cccc(CNC(C)c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4102406
6108,COc1cc2c(cc1O)C1Cc3cccc(ONCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69618267
6109,COc1cc2c(cc1O)CCN1Cc3c(CCNC(C)=O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4659336
6110,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cc(C(C)C)ccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68303776
6111,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(CN(C)C)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6538305
6112,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(F)c(F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6907687
6113,COc1cc2c(cc1OC)C1Cc3cccc(-c4cccc5nc(O)ccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63180405
6114,COc1cc2c(cc1OC)C1Cc3cccc(NC(=O)c4cccc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.28941754
6115,COc1cc2c(cc1OC)C1Cc3cccc(OCc4ccc(COC(=O)O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47071052
6116,COc1ccc(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1-c1ccccc1F,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.25445503
6117,COc1ccc(C(=O)NCCN2CCN(SC)CC2)cc1-c1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.34924462
6118,COc1ccc(COc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7566484
6119,COc1ccc(OCCC(=O)CCc2ccc3c(c2)N(C)C(=O)CC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13928208
6120,COc1ccc(OCCC(C)Cc2ccccc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.089704886
6121,COc1ccc(OCCF)cc1NS(=O)(=O)c1cccc(Cl)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07807047
6122,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)CC(=O)CC4)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.534674
6123,COc1ccc(OCCN=S(C)(=O)O)cc1NC(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.030521546
6124,COc1ccc(OCCNC=S(C)(=O)O)cc1N1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.17826106
6125,COc1ccc(OCCNCCc2ccc(F)cc2)cc1C(=O)N1CCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.09360721
6126,COc1ccc(OCCNS(=O)(=O)c2ccc(F)cc2)cc1N1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.34177187
6127,COc1ccc(OCCS(=O)(=O)N(C)C)cc1CCCc1ccc2c(c1)NC(=O)CCC2,[*]CCOc1ccc(O[*])c([*])c1,0.23656711
6128,COc1ccc(OCCc2ccc(C(C)=O)cc2)cc1CN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.18214162
6129,COc1cccc(CN2CCN(CCCC3Cc4ccccc4C3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7367308
6130,COc1cccc(CN2CCN(CCCCNC(=O)c3ccccc3NC3CCCCC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.33264667
6131,COc1cccc(CN2CCN(CCCCOC(=O)C3CCCCC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.45622936
6132,COc1cccc(Oc2cc3c(cc2OC)C2Cc4cccc(OCc5ccccc5)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7692752
6133,COc1cccc2c1CN1CCc3cc(C(O)c4ccccc4)c(C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5309719
6134,COc1cccc2c1CN1CCc3cc(O)c(OCc4ccc(C#N)cc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6808763
6135,COc1ccccc1-c1cc(C(=O)NCCN2CCN(S(=O)(=O)O)CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.28675166
6136,COc1ccccc1C1CCN(c2cc(OCCS(C)(=O)=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3153128
6137,COc1ccccc1CCC1CCN(CCOc2ccc(ON=S(C)(=O)O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5377765
6138,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cc4ccc(O)cn4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8827906
6139,COc1ccccc1N1CCN(CCN2CCC(c3nc4cccc(-c5ccccc5)c4n3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77602094
6140,CSc1ccc(CC2CCCN(Cc3cc(OCCF)ccc3ONS(C)(=O)=O)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.20887892
6141,Cc1cc(OCCCCCCc2ccc(F)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.08783114
6142,Cc1cc(OCCN2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.6890368
6143,Cc1cc(OCCNS(C)(=O)=O)ccc1ONCC1CC(=O)Cc2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.16121094
6144,Cc1cccc(OCC(=O)NOc2ccc(OCCNS(C)(=O)=O)cc2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.010194365
6145,Clc1cccc(CN2CCN(CCCC3CCC(c4ccccc4)C3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.76329577
6146,Clc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8583067
6147,Fc1ccc(-c2ccccc2N2CCN(CCN3CCC(C(F)(F)F)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.871338
6148,Fc1cccc(CN2CCN(CCCc3cc(-c4ccccc4)ccc3F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6344358
6149,N#Cc1cccc(COCc2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64072376
6150,O=C(Cc1cccc(CN2CCN(CCCCl)CC2)c1)NC1CCCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4757361
6151,O=c1[nH]cccc1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6631064
6152,Oc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7000521
6153,Oc1cccc2c1CN1CCc3cc(Cn4cccn4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55958545
6154,Oc1cccc2c1CN1CCc3cc(NOCc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6418317
6155,CCCOc1ccc(OC)c(CN2CCC(NC(=O)c3ccc(SC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3392394
6156,CCCOc1ccc(OCN2CC=C(C(=O)O)CC2)c(NCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23528984
6157,CCCOc1ccc(OCN2CCN(c3ccc(F)cc3)CC2)c(NC=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3732928
6158,CCCOc1ccc(OF)c(N2CCN(C(C)=O)CC2CCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.097458154
6159,CCCOc1ccc(OOC)c(N2CCC(c3ccccc3OC3CCCCC3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31737325
6160,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCCC3COc4ccc(c(c4)CC2)NC(=O)C3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2575383
6161,CCCOc1ccc(O[SH](C)(C)=O)c(N2CCC(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33577734
6162,CCOc1ccccc1CSCCOc1ccc(OC(=O)OC)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.01749031
6163,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3cccs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6827606
6164,COC1CCN(CCN2CCN(c3ccccc3Cc3cc4ccc(F)cc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6966072
6165,COC1CCN(CCN2CCN(c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70318276
6166,COCCCN1CCN(Cc2cccc(CNS(=O)(=O)c3cccc(F)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.44536167
6167,COCCOc1ccc(OC)c(NC(=O)c2cccc(C3CCNCC3)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.088137455
6168,COCc1cccc2c1CN1CCc3cc(Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7677188
6169,COOc1ccc(OCCN2CCN(Cc3cccc(F)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.47533214
6170,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccc(OC)[s+]1[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.20884855
6171,COc1cc2c(cc1NCc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5805752
6172,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccc(OC)c5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78742015
6173,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3[nH]c4c(O)c3C=CC=CC=COC4)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48790035
6174,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(NC(C)=O)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3551208
6175,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cccn3C)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7065883
6176,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3ccc(CO)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69615537
6177,COc1ccc(C(=O)NCCN2CCN(O)CC2)cc1-c1cccc(C)c1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26602015
6178,COc1ccc(C(F)(F)F)cc1S(=O)(=O)CNOc1ccc(OCCCF)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.050148714
6179,COc1ccc(OCCCS(=O)(=O)c2ccc(C(C)C)cc2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.0667626
6180,COc1ccc(OCCF)cc1N1CCN(CC(=O)c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.36318624
6181,COc1ccc(OCCN2CCC(C(=O)c3ccccc3)CC2)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.55960774
6182,COc1ccc(OCCN2CCCCC2)cc1S(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.25892588
6183,COc1ccc(OCCN=S(C)(=O)O)cc1CNS(=O)(=O)c1cccc2ccccc12,[*]CCOc1ccc(O[*])c([*])c1,0.06384311
6184,COc1ccc(OCCNC(=O)C(C)c2ccccc2)cc1N1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.33914867
6185,COc1ccc(OCCS(C)(=O)=O)cc1-c1cc(F)ccc1CC(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.09453678
6186,COc1ccc(OCCS(C)(=O)=O)cc1NCC1COc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.2571882
6187,COc1ccc(OCCS(N)(=O)=O)cc1-c1cc2c(cc1OC1CCCCC1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.22799723
6188,COc1cccc(CN2CCN(CCCCOc3ccc4ccc(=O)oc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6670746
6189,COc1cccc(CN2CCN(CCCN3CC(=O)c4ccccc4C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6150751
6190,COc1cccc(NC(=O)c2cc3c(cc2OC)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3272127
6191,COc1cccc2c1CN1CCc3cc(OCc4ccsc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6951448
6192,COc1ccccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.34306386
6193,COc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccc(Cl)cc4)ccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8380336
6194,COc1ccccc1N1CCN(CCN2CCC(c3cncc(-c4ccc(F)cc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85249305
6195,CS(=O)(O)=NOc1ccc(OCCF)cc1CCN1CCC(C(N)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5183237
6196,CSOc1ccc(OCCN2CCN(c3cccc(C(C)C)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.60403824
6197,Cc1cc(OCCN2CCC(NS(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.61241406
6198,Cc1cc(OCCN2CCC(OCc3ccccc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5586835
6199,Cc1cc(OCCNCCc2cccc3c2NC(=O)CC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16350159
6200,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(Cc2ccc(C=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20449129
6201,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCC(N(C)C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21663527
6202,Cc1cnn(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.694891
6203,Clc1ccccc1N1CCN(CCN2CCC(COc3ccc(-c4ccccn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7956043
6204,FC(F)(F)c1ccccc1N1CCN(CCN2CCC(c3ccon3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7880892
6205,Fc1cnc(-c2ccccc2N2CCN(CCN3CCC(C(F)(F)F)CC3)CC2)nc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87255096
6206,O=C(Nc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2)OCc1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39227667
6207,O=C(Nc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3719521
6208,Oc1cc(C2CCN(CCN3CCN(c4ccccc4OC(F)(F)F)CC3)CC2)c2ccccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7452646
6209,Oc1cc2c(cc1-c1ccsc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72660995
6210,Oc1cc2c(cc1Br)CCN1Cc3c(Cc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69992924
6211,Oc1ccc(C(O)c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7639297
6212,Oc1cccc2c1CN1CCc3cc(N4CCOCC4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4879547
6213,Oc1cccn1-c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70710635
6214,c1ccc(CCCN2CCN(Cc3cccc(-c4c[nH]c5ccccc45)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6607774
6215,C#Cc1cc2c(cc1O)C1Cc3cccc(CO)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75102067
6216,CC(=O)N(C)CCCN1CCN(Cc2cccc(-c3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5461951
6217,CC1CN(c2cccc(CN3CCN(CCCF)CC3)c2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6329703
6218,CCC(=O)[N+](=O)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51922286
6219,CCCNc1cc(OCCS(C)(=O)=O)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.06664006
6220,CCCOc1ccc(OC)c(CNC(=O)C2CCN(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3937023
6221,CCCOc1ccc(OCF)c(C(=O)N2CCC(COc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13069563
6222,CCCOc1ccc(OCN(C)CCc2ccccc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24020858
6223,CCCOc1ccc(ON2CCCN(c3ccccc3OC)CC2)c(OCCF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38449225
6224,CCCOc1ccc(ONC=O)c(N2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25959477
6225,CCCOc1ccc(OOC)c(CN2CCN(C(C)=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13493368
6226,CCCOc1ccc(OS(C)(=O)=O)c(C(C)COc2ccc(CF)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.037273053
6227,CCCOc1ccc(OS(C)(=O)=O)c(NCc2ccc(CCCF)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06516495
6228,CCCOc1ccc(OS(N)(=O)=O)c(C(=O)Nc2ccccc2OC(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.029779356
6229,CCCOc1ccc(OSC)c(NC=Cc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15903792
6230,CCCc1ccccc1NOc1ccc(OCCOS(C)(=O)=O)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.06954443
6231,COC(=O)NCCc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5037195
6232,COC(=O)OCc1ccc2ccc(-c3cccc4c3CN3CCc5cc(OC)c(OC)cc5C3C4)cc2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.395946
6233,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccc(O)cn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66909313
6234,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3cccc(F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5009055
6235,COc1cc2c(cc1CO)C1Cc3cccc(C(=O)OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41722584
6236,COc1cc2c(cc1CO)CCN1Cc3c(N)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7390741
6237,COc1cc2c(cc1O)C1Cc3cccc(N4CCCC(=O)C4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49522635
6238,COc1cc2c(cc1OC)C1Cc3cccc(-c4cc[nH]n4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65487784
6239,COc1ccc(C(=O)NCCN2CCN(c3cccc(C)c3C)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.7475078
6240,COc1ccc(CCc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8068497
6241,COc1ccc(COCc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.81684506
6242,COc1ccc(OC2CCN(CCN3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7955526
6243,COc1ccc(OCCCCNC(=O)c2cccc(C)c2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.044259872
6244,COc1ccc(OCCCN2CCC(Cc3ccc(F)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.68903965
6245,COc1ccc(OCCCNC(=O)c2ccc(F)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.030561773
6246,COc1ccc(OCCN2CCCC(C(=O)c3ccccc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.48448044
6247,COc1ccc(OCCN=S(C)(=O)O)cc1CN1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.3179266
6248,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1N(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.008553007
6249,COc1ccc(OCCNCc2ccccc2)cc1N1CCC(S(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.33421835
6250,COc1ccc(OCCNS(C)(=O)=O)cc1NCCc1ccc2c(c1)CC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.1634991
6251,COc1ccc(OCCS(C)(=O)=O)cc1NC(=O)Cc1ccc(C)cn1,[*]CCOc1ccc(O[*])c([*])c1,0.00737764
6252,COc1ccc2c(c1)CCCN(CC1CCN(CCN3CCN(c4ccccc4OC)CC3)CC1)C2=O,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80689764
6253,COc1cccc(C(=O)CCCN2CCN(Cc3cccc(F)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5442363
6254,COc1cccc(CCc2cc3c(cc2OCc2ccccc2)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7040413
6255,COc1cccc(N2CCN(CCNC(=O)c3ccc(OC)c(OC)c3)CC2)n1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.52927345
6256,COc1cccc2c1CN1CCc3cc(C)c(-c4ccc5cccc(OC)c5c4OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6054211
6257,COc1cccc2c1CN1CCc3cc(O)c(Cc4ccccc4C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62090814
6258,COc1ccccc1-c1cc(C(=O)NCCN2CCN([N+](=O)[O-])CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29278895
6259,COc1ccccc1N1CCCN(c2cc(OCCNC(C)=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18617359
6260,COc1ccccc1NC(=O)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.37873566
6261,COc1ccccc1NC(=O)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.37147096
6262,COc1cccn(CCCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54166526
6263,CSOc1ccc(OCCN2CCC(c3ccccc3OC3CC3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.65802014
6264,CSc1ccccc1N1CCN(CCN2CCC(c3cccc(-c4ccc(F)cc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7266582
6265,Cc1cc(OCCCCCc2ccc3c(c2)NC(=O)CCC3)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.20162252
6266,Cc1cc(OCCCNC=O)ccc1ONS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07665633
6267,Cc1cc(OCCF)ccc1ONC(=O)C1CCCN(Cc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2517363
6268,Cc1cc(OCCF)ccc1ONS(=O)(=O)c1ccc(OC(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.034608543
6269,Cc1cc(OCCN2CCN(Cc3ccc(F)cc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.44360226
6270,Cc1cc(OCCNC(=O)Cc2cccc(CN3CCCCC3)c2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.035610504
6271,Cc1cc(OCCNC(=O)Cc2cccs2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.020806171
6272,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(c2ccccc2OC2CC2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.37462288
6273,Cc1cccc(C(=O)NCCOc2ccc(ON3CCN(C)CC3)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14849943
6274,Cn1cnc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79073715
6275,FCCCN1CCN(Cc2cccc(-c3ccc(Br)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70125914
6276,O=C1CC(CCCN2CCN(Cc3cccc(Cl)c3)CC2)c2ccccc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.601368
6277,Oc1ccccc1N1CCN(CCN2CCC(n3ccc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68346417
6278,CC(=O)CCOc1ccc(ONS(C)(=O)=O)c(CN2CC(C)CC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11162881
6279,CCCCN1CCN(Cc2cccc(N3Cc4ccccc4C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60281974
6280,CCCOc1ccc(OCc2ccccc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12400763
6281,CCCOc1ccc(ON2CCN(c3cccc(C(C)C)c3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31668082
6282,CCCOc1ccc(OOS(C)(=O)=O)c(CCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09369283
6283,CCCOc1ccc(OS(C)(=O)=O)c(NCc2ccc3c(c2)NC(=O)CCS3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08825826
6284,CCOc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3cccc(F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80048794
6285,COC(=O)N1CCN(CCCOc2ccc(OC)c(F)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.33320147
6286,COC(=O)N1CCN(CCNC(=O)c2ccc(F)c(-c3ccccc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.20336322
6287,COC1CCN(CCN2CCN(c3ccccc3-c3nc(-c4ccc(Cl)cc4)cs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6664422
6288,COC1CCN(CCN2CCN(c3ccccc3Cc3cnco3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6289902
6289,COCCCN1CCN(Cc2cccc(-c3ccc4c(c3)C(=O)OCC4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61816585
6290,COCCCN1CCN(Cc2cccc(C(=O)c3cc(C)ccc3C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.44678614
6291,COCCCN1CCN(Cc2cccc(CNC(=O)C3(c4ccc(Cl)cc4)CCCC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3636827
6292,COCCCN1CCN(Cc2cccc(CNCc3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.545276
6293,CONc1ccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5534625
6294,CONc1ccc(COc2cc3c(cc2OC)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5319572
6295,COOc1ccc(OCCCN2CCC(Oc3ccc(Cl)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6384741
6296,COc1cc2c(cc1NS(=O)(=O)c1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48619577
6297,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(CC#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6871495
6298,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccsc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7517293
6299,COc1cc2c(cc1OC)C1Cc3cccc(CNCc4ccc(CO)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6338636
6300,COc1cc2c(cc1OC)C1Cc3cccc(OCC=Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.733073
6301,COc1cc2c(cc1OCC#Cc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7561876
6302,COc1ccc(CC2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7803408
6303,COc1ccc(OCCC(=O)CCc2ccc(F)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.043692373
6304,COc1ccc(OCCC(F)(F)F)cc1CN1CCCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.78104275
6305,COc1ccc(OCCCC(=O)c2ccc(F)cc2)cc1OC1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.18823019
6306,COc1ccc(OCCCCN2CCC(C(F)(F)F)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6040103
6307,COc1ccc(OCCF)cc1CN1CCCN(c2ccccc2Cl)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7900824
6308,COc1ccc(OCCF)cc1CNC(=O)COc1ccccc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.035849787
6309,COc1ccc(OCCN2CCC(Oc3cc4ccccc4o3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5170992
6310,COc1ccc(OCCN2CCN(c3cccc(C(C)=O)c3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.7632673
6311,COc1ccc(OCCN2CCN(c3cccc(OCCF)c3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.88568735
6312,COc1ccc(OCCNC2CCC(c3ccccc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2082652
6313,COc1ccc(OCCNCCc2cccs2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.14423974
6314,COc1ccc(OCCNCc2cccs2)cc1S(=O)(=O)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16621447
6315,COc1ccc(OCCNS(C)(=O)=O)cc1Nc1ccccc1OCC(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.073136866
6316,COc1ccc(OCCc2ccccc2SC)cc1CN(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10911541
6317,COc1ccc2c(Cc3cccc4c3CN3CCc5cc(O)c(O)cc5C3C4)c[nH]c2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.616784
6318,COc1ccc2ccc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)nc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67667156
6319,COc1cccc(CN2CCN(CCCC3CCC(=O)c4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65805465
6320,COc1cccc(CN2CCN(CCCN3c4ccccc4C(C)(C)S3(=O)=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62419647
6321,COc1cccc(CN2CCN(CCCS(=O)(=O)N3c4ccccc4CC3C)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6604527
6322,COc1cccc(Cc2cccc3c2CN2CCc4cc(OC)c(Cl)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64017224
6323,COc1cccc2c1CN1CCc3cc(Cc4cccc(OC(C)C)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5144713
6324,COc1cccc2c1CN1CCc3cc(Cc4cccc([N+](=O)C(=O)O)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4990237
6325,CSOc1ccc(OCCN2CCC(Oc3ccc4c(c3)NC(=O)CCC4)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6107941
6326,Cc1cc(OCCC(=O)COc2ccc3c(c2)NC(=O)CC3)ccc1ONCC(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.116512805
6327,Cc1cc(OCCC=[SH]O)ccc1ON1CCC(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2417734
6328,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC(C)C4)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.43180388
6329,Cc1cc(OCCN=S(C)(=O)O)ccc1ONCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.059131272
6330,Cc1cc(OCCNCCc2ccc(Cl)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13426542
6331,Cc1cc(OCCO)ccc1ON1CCC(c2cccc(C(F)(F)F)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31466386
6332,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCCC(Cc2ccc(OC3CCCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.17378457
6333,Cc1ccc(=O)n(C2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72716755
6334,Cc1ccc(O)n1C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6598375
6335,O=C1c2ccccc2NC(c2cccc(CN3CCN(CCCF)CC3)c2)N1c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62452763
6336,O=S(=O)(NCc1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1)c1cccs1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4983986
6337,O=c1cc(-c2cccc(CN3CCN(CCCF)CC3)c2)c2ccccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66259253
6338,O=c1cccc2sc(Cc3cccc(CN4CCN(CCCCl)CC4)c3)ccc1-2,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.539025
6339,OCc1cc2c(cc1Br)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7334254
6340,CC(=O)Nc1ccc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.314894
6341,CC(C)Oc1ccccc1N1CCN(CCN2CCC(CN3C(=O)c4ccccc4C3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6871926
6342,CC1CCN(CCN2CCN(c3ccccc3Oc3ccc4ccc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74171394
6343,CCC(=O)c1cc2c(cc1O)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5183351
6344,CCCC1CCN(CCOc2ccc(OS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6179537
6345,CCCOc1ccc(ONC(=O)c2ccc(F)cc2)c(CN2CCC(Nc3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27494138
6346,CCCOc1ccc(OS(C)(=O)=O)c(CCCc2ccc3c(c2)CCC(=O)N3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21084443
6347,CCc1ccc(OC)cc1S(=O)(=O)NCCOc1ccc(ON2CCNCC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16973028
6348,CNOc1ccc(OCCN2CCCC(Cc3ccccc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.40947393
6349,COC(=O)Nc1ccc(Cc2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34502646
6350,COC(=O)c1cc2c(cc1OC)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4665929
6351,COCCCN1CCN(Cc2cccc(-c3ccc4nc(O)oc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57809484
6352,COCCCN1CCN(Cc2cccc(C(=O)N=CC3COc4ccccc4N3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4611563
6353,COCCOc1ccc(OC)c(NC(=O)Cc2ccc3ccccc3c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.007426566
6354,COOc1ccc(OCCNC(O)CCc2ccc3c(c2)CC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.12968227
6355,COc1cc2c(cc1-c1cc(C)ccc1C#N)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71142894
6356,COc1ccc(Cl)cc1S(=O)(=O)NOc1ccc(OCCF)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.046638127
6357,COc1ccc(OCCC=O)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.07981367
6358,COc1ccc(OCCN2CCC(CCc3ccccc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.72919106
6359,COc1ccc(OCCN2CCC(Oc3ccc(F)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.7288221
6360,COc1ccc(OCCN2CCC(c3cc4cc(F)ccc4o3)CC2)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6140692
6361,COc1ccc(OCCN2CCNC2=O)cc1-c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.1929898
6362,COc1ccc(OCCN=S(C)(=O)O)cc1-c1cccc(NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04581821
6363,COc1ccc(OCCNC=O)cc1NCC1CCc2ccccc2O1,[*]CCOc1ccc(O[*])c([*])c1,0.40550348
6364,COc1ccc(OCCSCCCc2ccc3c(c2)NC(=O)CCC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.25511587
6365,COc1ccc2oc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)cc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68746537
6366,COc1cccc(CN2CCN(CCCc3ccc4cc(C(N)=O)ccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49371058
6367,COc1cccc(OCc2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81021804
6368,COc1cccc2c1CN1CCc3cc(Cc4ccc5ccccc5n4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6402276
6369,COc1cccc2c1CN1CCc3cc(Cc4cccc([N+](=O)[O-])c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43417066
6370,COc1ccccc1-c1cccc(C2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8263064
6371,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3cc4ccccc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7561591
6372,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc(C)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7094606
6373,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccccc3-c3ccnc(O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7733733
6374,COc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccc(F)cc4)nc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77447456
6375,COc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccc(O)nn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8592025
6376,CSOc1ccc(OCCN2CCC(NC(=O)c3ccc(SC)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.47166932
6377,CSc1ccc(CC2CCN(COc3ccc(OCCN=S(C)(=O)O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.31184483
6378,CSc1ccc2c(c1)N(CCOc1ccc(ON=S(C)(=O)O)c(C)c1)CC(O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.22393791
6379,Cc1cc(OCCCNS(C)(=O)=O)ccc1ON1CCCC(COc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2221158
6380,Cc1cc(OCCN=S(C)(=O)O)ccc1OCC1CCCN(Cc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.26661268
6381,Cc1cc(OCCN=S(C)(=O)O)ccc1OCCOc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.080122575
6382,Cc1cc(OCCNCCCc2ccc(F)cc2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.23470525
6383,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.25708544
6384,Cc1cc(OCCOS(C)(=O)=O)ccc1OC(=O)COc1ccc(CF)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.019073753
6385,Cc1cc2c(cc1N(C)C)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74657416
6386,Cc1ccc(OC2CCN(CCOc3ccc(OO)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.4438321
6387,Cc1cccc(COc2cccc3c2CN2CCc4cc(Cl)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5988603
6388,Cc1cccc2c1CN1CCc3cc(O)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64954823
6389,ClCCCN1CCN(Cc2cccc(CNc3cccc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.43362758
6390,ClCCCN1CCN(Cc2cccc(Cc3cc(-c4ccccc4)no3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6580494
6391,ClCCCN1CCN(Cc2cccc(Cn3cccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70743245
6392,FC(F)(F)c1cccc(CN2CCN(CCCc3cc(-c4ccccc4)no3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6868952
6393,Fc1ccc(Oc2ccccc2N2CCN(CCN3CCC(F)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83571047
6394,N#Cc1ccc(S(=O)(=O)c2ccccc2N2CCN(CCN3CCC(F)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5677357
6395,O=c1ccc2ccc(OCCCCN3CCN(Cc4cccc(F)c4)CC3)cc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6771901
6396,Oc1cc2c(cc1NCc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.411354
6397,Oc1cc2c(cc1O)C1Cc3cccc(C#CCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7272063
6398,Oc1cc2cc(F)ccc2n1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7594407
6399,Oc1cccc(-c2cccc(CN3CCN(CCCC(F)(F)F)CC3)c2)n1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63268423
6400,Oc1cccc2c1CN1CCc3cc(-c4ccc5ccccc5c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6609052
6401,CC(C)c1ccccc1N1CCN(CCN2CCC(CN3C(=O)c4ccccc4C3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.62207067
6402,CCCOc1ccc(OC(N)=O)c(CC(=O)Nc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.006843892
6403,CCCOc1ccc(OCNc2ccccc2OCC)c(C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.067649
6404,CCCOc1ccc(ON2CCC(c3ccc(F)cc3)CC2)c(OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36983195
6405,CCCOc1ccc(ON2CCC(c3ccccc3OC)CC2)c([N+](=O)[O-])c1,[*]CCOc1ccc(O[*])c([*])c1,0.2695253
6406,CCCOc1ccc(OOC)c(CNC(=O)c2ccc(C=O)o2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.02655471
6407,CCCOc1ccc(OS(=O)(=O)O)c(N2CCCC(Cc3ccc(OC4CCCCC4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12783004
6408,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31696826
6409,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Oc3ccccc3C=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29611456
6410,CCCOc1ccc(OS(N)(=O)=O)c(CCCc2ccccc2OC2CCNC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31882554
6411,CCCOc1ccc(OS(N)(=O)=O)c(NC2CCC(Oc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38601685
6412,CCCOc1ccc(OSC)c(C2CCc3cc(OC)c(OC)cc3C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.253475
6413,CCOCCOc1ccc(OOC)c(N2CCCC(CCc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33955002
6414,CCOCOc1ccc(OCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.7601632
6415,CCOc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3731723
6416,CCOc1cc2c(cc1OC)C1Cc3cccc(OC(C)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47565967
6417,CNc1cc2c(cc1OC)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65503764
6418,CNc1ccccc1Cc1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4881155
6419,COC(=O)N1Cc2ccccc2C1C(=O)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5099512
6420,COC(=O)NOc1ccc(OCCN2CCC(Cc3ccc4ccccc4c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.4943739
6421,COC1CCN(CCN2CCN(c3ccccc3-c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82416254
6422,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccc(Cl)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.704911
6423,COCCCN1CCN(Cc2cccc(C3Oc4ccccc4CC3C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62907636
6424,COCCCN1CCN(Cc2cccc(CCNC(=O)C3CCCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49974722
6425,COCCCN1CCN(Cc2cccc(NC(=O)c3cc(C=O)c4ccccc4c3OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.33363894
6426,COCc1cc2c(cc1OC)C1Cc3cccc(Oc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7295901
6427,COc1cc2c(cc1-c1ccc(N(C)C)c3ccccc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68120825
6428,COc1cc2c(cc1Cc1ccc(CO)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6503566
6429,COc1cc2c(cc1O)C1Cc3cccc(COc4ccccc4C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7240106
6430,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccco4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7484253
6431,COc1cc2c(cc1O)CCN1Cc3c(CNc4cccc(F)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58575547
6432,COc1cc2c(cc1OC)CC(NCCOc1ccc(OSC)c(C)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.4317824
6433,COc1cc2ccccc2nc1-c1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7689086
6434,COc1ccc(-c2cc(C(=O)NCCN3CCN(OC)CC3)ccc2F)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3311529
6435,COc1ccc(OCCC2CCN(C(=O)c3ccc(F)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.105746016
6436,COc1ccc(OCCCCCc2ccc3c(c2)NC(=O)CC3)cc1S(=O)[N+](C)(C)[O-],[*]CCOc1ccc(O[*])c([*])c1,0.17241417
6437,COc1ccc(OCCN=S(C)(=O)O)cc1CCOc1ccc(C(F)(F)F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.03978947
6438,COc1ccc(OCCNC(=O)c2ccc3ccccc3c2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.040680382
6439,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(COc2ccc3c(c2)CC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.37979668
6440,COc1cccc(CN2CCN(CCCN3C(=O)c4ccccc4CC3C)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64712876
6441,COc1ccccc1CC1CCN(CCCOc2ccc(OC)c(SC)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.66553116
6442,COc1ccccc1N1CCN(CCN2CCC(n3c(O)cc4cccc(OC)c43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7944293
6443,CS(=O)(=O)NCC1CCC(Cc2cc(OCCF)ccc2OOS(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.12125727
6444,CS(=O)(O)=NCCOc1ccc(OF)c(N2CCCC(CCc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18954715
6445,CSOc1ccc(OCCNCCc2ccccc2F)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.23710492
6446,Cc1cc(OCCCN2CCN(Cc3ccccc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.48296422
6447,Cc1cc(OCCCOCCc2ccc3c(c2)NC(C=S)CC3)ccc1ONS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.19971567
6448,Cc1cc(OCCF)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.05678136
6449,Cc1cc(OCCN2CCCC(Oc3ccc(CC4CCCCC4)cc3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3284676
6450,Cc1cc(OCCNS(=O)(=O)c2cccc(F)c2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06961029
6451,Cc1cc2c(cc1N)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73605734
6452,Cc1ccc(C)c(S(=O)(=O)NC2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.61682916
6453,Cc1ccccc1N1CCN(CCN2CCC(Oc3ccncc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68384343
6454,Cc1ccccc1N1CCN(CCN2CCC(c3ncc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67491853
6455,Cc1ccccc1N1CCN(CCN2CCC(n3cc(F)c(=O)[nH]c3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.59637713
6456,Clc1cccc(CN2CCN(CCCc3cccc4ccccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70301026
6457,O=C(Nc1ccc(F)cc1)C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.53320736
6458,O=C(c1ccc(F)cn1)C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75439537
6459,O=[N+]([O-])c1ccccc1N1CCN(CCN2CCC(Oc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.592579
6460,Oc1cc(C2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)ccn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7072618
6461,C=Cc1ccccc1OC1CCN(c2cc(OCCNC=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.38188356
6462,CCCCc1ccccc1OCCOc1ccc(OC)c(CN2CCCC(S(=O)(=O)c3ccccc3C=O)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3091793
6463,CCCOc1ccc(OC(C)=O)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.034422647
6464,CCCOc1ccc(OCN2CCN(c3ccccc3OC)CC2)c(NC=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.64149386
6465,CCCOc1ccc(OF)c(COCCN2CCc3cc(OC)c(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5285673
6466,CCCOc1ccc(OF)c(NC(=O)Nc2cccc(C(C)=O)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.01573153
6467,CCCOc1ccc(ON2CCC(NC(C)c3ccccc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2209599
6468,CCCOc1ccc(OS(N)(=O)=O)c(CCOc2ccc(CCC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.105057806
6469,CCc1cccc(Cc2cccc3c2CN2CCc4cc(O)c(Cl)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6895154
6470,COC1CCN(CCN2CCN(c3ccccc3-c3nnc(-c4ccc(F)cc4)n3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7098882
6471,COCC1CCN(CCOc2ccc(OC)c(S(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.53365165
6472,COCCCN1CCN(Cc2cccc(-c3ccc4c(c3)NC(=O)CC4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6775076
6473,COCCOc1ccc(OC)c(NCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10844053
6474,COOc1ccc(OCCN2CCC(Cc3ccc4ccccc4c3)NC2=O)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.2410005
6475,COc1cc(C(=O)NCCN2CCN(O[O-])CC2)ccc1-c1ccccc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30166602
6476,COc1cc2c(cc1-c1ccc(O)c3ccccc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7505849
6477,COc1cc2c(cc1C(=O)Nc1cccc3ccccc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.33287165
6478,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77001697
6479,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(OC(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7429095
6480,COc1cc2c(cc1O)C1Cc3cccc(-c4cccc(NC(=O)c5ccccc5)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.30992347
6481,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(CO)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7033487
6482,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)c3ccc(C#N)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5615711
6483,COc1cc2c(cc1OCc1ccc3cc[nH]c3c1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67236704
6484,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccccc1COc1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35204613
6485,COc1ccc(NC2CCN(CCN3CCN(c4ccccc4F)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.62200904
6486,COc1ccc(OCCC(=O)COc2ccc3c(c2)NC(=O)CC3)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13276465
6487,COc1ccc(OCCC(C)Cc2ccc3c(c2)NC(=O)CC3)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.20287201
6488,COc1ccc(OCCCN2CCC(c3ccc(F)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.7531998
6489,COc1ccc(OCCN2CCCC(Cc3ccc(OC4CCCCC4)cc3)C2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.35005763
6490,COc1ccc(OCCN2CCNC2=O)cc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.2377434
6491,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(Oc2ccccc2C=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19573385
6492,COc1ccc(OCCNC(=O)OCCc2ccc(F)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09715299
6493,COc1ccc(OCCNC(=O)c2ccc(SC)cc2)cc1OC1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.0916357
6494,COc1ccc(OCCS(C)(=O)=O)cc1CCCc1cccc2c1CC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.19371574
6495,COc1ccc(OCCS(C)(=O)=O)cc1CN1CCC(Oc2ccc(CC3CCCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31962484
6496,COc1ccc(OCCS(C)(=O)=O)cc1NCC1CCc2ccc(CC(C)C)cc2O1,[*]CCOc1ccc(O[*])c([*])c1,0.34716487
6497,COc1ccc(OCCS(C)(=O)=O)cc1OC(=O)CCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06607613
6498,COc1ccc(OCCSC)cc1CF,[*]CCOc1ccc(O[*])c([*])c1,0.093958065
6499,COc1cccc2c1CN1CCc3cc(CNC(=O)c4ccc(Cl)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4482799
6500,COc1cccc2c1CN1CCc3cc(OCc4cccc(Oc5ccccc5)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55452734
6501,COc1ccccc1NC(=O)CCOc1ccc(ON=S(C)(=O)O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.01672307
6502,CS(=O)(=O)c1ccccc1N1CCN(CCN2CCC(O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69354457
6503,CSCCOc1ccc(ON2CCN(Cc3ccccc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5394851
6504,Cc1cc(OCCC(C)COc2ccccc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.059191734
6505,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC(C)O4)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.51621646
6506,Cc1cc(OCCNC(=O)c2ccccn2)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.02941764
6507,Cc1cc(OCCNCCCc2ccc(F)cc2)ccc1OS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.1749829
6508,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23141882
6509,Cc1ccccc1N1CCN(CCN2CCC(C(=O)N(C)C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6550108
6510,Cc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccc4F)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69804215
6511,ClCCCN1CCN(Cc2cccc(C=Cc3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66381973
6512,FCCCN1CCN(Cc2cccc(C3OCCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66643006
6513,O=C(Nc1ccccc1Cl)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4118972
6514,O=c1cc(O)c2ccccc2n1-c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6828056
6515,O=c1ncn(C2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)cc1F,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71528614
6516,OC1c2ccccc2CCC1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7258015
6517,Oc1cc2c(cc1-c1ccc(NC3CCCCC3)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40956995
6518,Oc1cc2c(cc1C#Cc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7529368
6519,Oc1cc2ccccc2cc1-c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70261794
6520,Oc1cccc(C2CCN(CCN3CCN(c4ccccc4OC(F)(F)F)CC3)CC2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78792757
6521,Oc1cccc2c1CN1CCc3cc(Cc4ccccc4)c(Oc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7405928
6522,C=CC(=O)Nc1cccc(-c2cccc(CN3CCN(CCCCl)CC3)c2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3318245
6523,C=Cc1cc2c(cc1-c1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60954326
6524,CC(=O)c1ccc(CC2CCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.46231613
6525,CC(C)(C)OC(=O)NC1CCN(CCN2CCN(c3ccccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7267021
6526,CCC(=O)NC1CCC(CCCN2CCN(Cc3cccc(Cl)c3)CC2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.41348946
6527,CCCCN1CCN(Cc2cccc(NC(=O)c3ccccc3OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.25941145
6528,CCCNc1cc(OCCC(N)=O)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.024436042
6529,CCCOc1ccc(OCC2CCCc3ccccc32)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3366147
6530,CCCOc1ccc(OCCCc2ccccc2)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.78353375
6531,CCCOc1ccc(OCN2CCC(C(=O)c3ccc(SC)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30821472
6532,CCCOc1ccc(OF)c(CN2CCN(c3cccc(Cl)c3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.719221
6533,CCCOc1ccc(ONC)c(CCCc2ccc3c(c2)C(=O)NCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23212597
6534,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Oc3ccccc3CCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3553554
6535,CCNc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.511367
6536,CCOc1ccccc1N1CCN(Oc2ccc(OCCc3ccc(F)cc3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.33043373
6537,CN(C)Cc1ccc(-c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64904124
6538,CNC(=O)CCOc1ccc(OC=Cc2ccccc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.012720949
6539,COC(=O)Cc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48916447
6540,COC(=O)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49732947
6541,COC1CCN(CCN2CCN(c3ccccc3C(=O)NCc3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6995179
6542,COC1CCN(CCN2CCN(c3ccccc3S(=O)(=O)c3ccc(OC(F)F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6207018
6543,COCCCN1CCN(Cc2cccc(CNC(=O)C3CC3c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.43249574
6544,COCCCN1CCN(Cc2cccc(CNC(=O)c3ccc(C(C)(C)C)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.41484484
6545,COCCOc1ccc(OC)c(CCNc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07937744
6546,COCCOc1ccc(OC)c(N2CCC(S(=O)(=O)c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2838421
6547,COCCOc1ccc(OC)c(N2CCN(c3cccc(F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38169307
6548,COCCOc1ccc(ON2CCNCC2CCc2ccc(F)cc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37125257
6549,COCCOc1ccc(ONC(=O)c2cc(N3CCN(C)CC3)ccc2OC)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15842144
6550,CON=CNc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57748365
6551,COOc1ccc(OCCN2CCC(O)(c3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.63633543
6552,COc1cc2c(cc1O)C1Cc3cccc([N+](=O)C(C)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55640405
6553,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1cccc2nc(O)oc12,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2826173
6554,COc1ccc(C(=O)NCCN2CCN(c3cccc(C)c3)CC2)cc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.6410339
6555,COc1ccc(OCCBr)cc1N1CCC(Cc2ccc3c(c2)N(S(C)(=O)=O)C(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3418581
6556,COc1ccc(OCCN2CCC(C(C)=O)CC2)cc1S(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.45068103
6557,COc1ccc(OCCN2CCC(Oc3ccc(SC)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5932714
6558,COc1ccc(OCCN2CCN(c3ccc(C(C)=O)cc3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.46403536
6559,COc1ccc(OCCNS(=O)(=O)c2ccccc2OCC(F)(F)F)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10220196
6560,COc1ccc(OCCS(C)(=O)=O)cc1C1CCC(Cc2ccc3c(c2)NC(=O)CC3)CC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.2900071
6561,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Oc2ccc(CCC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24006076
6562,COc1ccc(OCCS(C)(=O)=O)cc1NCCCc1ccco1,[*]CCOc1ccc(O[*])c([*])c1,0.08092837
6563,COc1ccc2ccc(Cc3cc4c(cc3O)C3Cc5cccc(OC)c5CN3CC4)cc2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68620414
6564,COc1cccc(Cc2cc3c(cc2C)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5411818
6565,COc1ccccc1-c1cc(C(=O)NCCN2CCN(C(C)=O)CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.20626639
6566,COc1ccccc1CC1CCN(CCN2CCN(c3ccccc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.62219065
6567,COc1ccccc1N1CCN(CCN2CCC(n3cccc3-c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8127466
6568,COc1ccn(Cc2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6771031
6569,CS(=O)(=O)Nc1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41415668
6570,CSOc1ccc(OCCCCCc2ccc3c(c2)CC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.1827415
6571,CSOc1ccc(OCCN2CCC(S(=O)(=O)O)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.52726346
6572,Cc1cc(OCCN2CCC(NS(=O)(=O)c3ccc(F)cc3)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6826185
6573,Cc1cc(OCCNS(=O)(=O)c2ccccc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08430035
6574,Cc1cc(OCCOS(C)(=O)=O)ccc1ON1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24951012
6575,Cc1ccccc1-c1cc(C(=O)NCCN2CCN(O)CC2)ccc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29976952
6576,ClCCCN1CCN(Cc2cccc(-c3nc(-c4ccco4)cs3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57858646
6577,FC1CCN(CCN2CCN(c3ccccc3CNc3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7361385
6578,N#Cc1ccc(C(=O)NC2CCN(CCN3CCN(c4ccccc4Br)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7597944
6579,O=C(NOCc1ccccc1)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45246235
6580,O=C1c2ccccc2C(=O)N1c1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65758044
6581,OCc1ccc(COc2cc3c(cc2O)CCN2Cc4c(Cc5ccccc5)cccc4CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6238422
6582,Oc1cc(Br)cn1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75234103
6583,Oc1cccc2c1CN1CCc3cc(CCOc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6541324
6584,C=Cc1cc(OCCC)ccc1ON1CCN(c2ccccc2OCC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3085221
6585,C=S(O)(O)=NOc1ccc(OCCNCc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.29328743
6586,CC(C)c1ccccc1N1CCN(CCN2CCC(c3ccncc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7471161
6587,CCCOc1ccc(OCCOc2ccccc2C2CCNCC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32309335
6588,CCCOc1ccc(OCN2CCC(c3ccccc3C)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3987319
6589,CCCOc1ccc(OF)c(CN2CCN(CC(=O)N3c4ccccc4CC3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7736935
6590,CCCOc1ccc(ONS(C)(=O)=O)c(SCCCc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23215985
6591,CCCOc1ccc(OOC)c(N2CCCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27613068
6592,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCCC(Cc3ccc(Cl)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24999154
6593,CCCOc1ccc(OS(C)(=O)=O)c(N2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28882268
6594,CCCOc1ccc(O[SH](C)(=O)O)c(N2CCCC(COc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30258936
6595,CCCc1ccc(OC2CCN(Oc3ccc(OCCNS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.22117317
6596,CNC(=O)CCOc1ccc(OC)c(NCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.01702473
6597,CNC(=O)CCOc1ccc(ONC(=O)COc2ccccc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.015066126
6598,COC1CCN(CCN2CCN(c3ccccc3C3CCc4ccc(C(N)=O)cc4C3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6541063
6599,COCCCN1CCN(Cc2cccc(-c3cccc(NC(=O)N(C)C)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.29460657
6600,COOc1ccc(OCCN2CCC(NS(=O)(=O)c3ccc(CC(F)(F)F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5733772
6601,COc1cc2c(cc1C(=O)NCc1ccccc1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.37954608
6602,COc1cc2c(cc1CCCO)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7796146
6603,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(C(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.755994
6604,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(O)c3ccc(C#N)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7370954
6605,COc1cc2c(cc1Oc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8102177
6606,COc1ccc(OC)c(Cc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.83305603
6607,COc1ccc(OCCCS(C)(=O)=O)cc1OC(=O)CCc1ccc2c(c1)CC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.13085832
6608,COc1ccc(OCCF)cc1OC1CCN(S(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20309454
6609,COc1ccc(OCCN2CCC(Cc3ccc(F)cc3)CC2)cc1N,[*]CCOc1ccc(O[*])c([*])c1,0.6844391
6610,COc1ccc(OCCN2CCC(Cc3ccc4ccccc4n3)CC2)cc1C(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.6053069
6611,COc1ccc(OCCN2CCC(c3cc(F)ccc3C)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5518242
6612,COc1ccc(OCCN2CCN(C)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.36456454
6613,COc1ccc(OCCNCc2cccs2)cc1S(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.10718516
6614,COc1ccc(OCCNS(=O)(=O)c2ccccc2)cc1CN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.17688516
6615,COc1ccc(OCCS(N)(=O)=O)cc1CC(=O)Cc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.17334545
6616,COc1cccc2c1CN1CCc3cc(-c4ccc5cc[nH]c5c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64723665
6617,COc1ccccc1C1CCN(Oc2ccc(OCCN=S(C)(=O)O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21546471
6618,COc1ccccc1N1CCN(CCN2CCC(COc3cccc4nc(O)ccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80710083
6619,CSOc1ccc(OCCN2CCC(Cc3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5855077
6620,CSc1ccc(C(=O)N2CCN(COc3ccc(OCCF)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.066539526
6621,Cc1cc(OCCCN2CCC(c3ccccc3OCC(F)(F)F)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.72447836
6622,Cc1cc(OCCN2CCC(O)(c3ccc(Cl)cc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.51082397
6623,Cc1cc(OCCN2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)ccc1OSC(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5658419
6624,Cc1cc(OCCN2CCCC(c3ccccc3)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.46877944
6625,Cc1cc(OCCN2CCN(CCc3cccc(F)c3)CC2=O)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4351296
6626,Cc1cc(OCCNC(=O)COc2ccc(C3CCCCC3)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.024095023
6627,Cc1cc(OCCNC(=O)c2ccc(F)c(N3CCN(C)CC3)c2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.27831402
6628,Cc1cc(OCCNC2CCc3ccc(CC(F)(F)F)cc3C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4412055
6629,Cc1cccc(CN2CCN(CCCS(=O)(=O)c3cc4ccccc4s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5364852
6630,Cc1ccccc1-c1cc(C(=O)NCCN2CCN(C)CC2)ccc1Br,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.28645867
6631,ClC1CCN(CCN2CCN(c3ccccc3-c3ncc(-c4ccccc4)o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73709875
6632,Clc1cccc(CN2CCN(CCCCCc3cc4ccccc4s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.78502965
6633,FC(F)(F)c1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7026656
6634,N#Cc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70193386
6635,NC(=O)c1cc(CCCN2CCN(Cc3cccc(Cl)c3)CC2)c2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65749216
6636,NOCc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7165477
6637,Nc1ccccc1-c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6384808
6638,O=C(Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)c1cc2ccccc2[nH]1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3868638
6639,O=C1C=C(c2cccc(CN3CCN(CCCF)CC3)c2)OC1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68000156
6640,Oc1cc2c(cc1Cl)CCN1Cc3c(CNc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5574642
6641,Oc1ccc2ccc(Oc3ccccc3N3CCN(CCN4CCC(F)CC4)CC3)cc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7622521
6642,Oc1cccc2c1CN1CCc3cc(-c4ccc(Cl)cc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.762593
6643,C#Cc1cccc2c1CN1CCc3cc(Oc4cccc(C)c4)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.726568
6644,CC(=O)N1CCN(COc2ccc(OCCc3ccc(F)cc3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.11509293
6645,CC(=O)Nc1cc2c(cc1CO)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3779846
6646,CC(=O)c1ccc(F)cc1SCCCOc1ccc(ON(C)C)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.054312333
6647,CC(=O)c1cccc(CN2CCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28892344
6648,CC1Cc2ccccc2N1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70764726
6649,CCCC(=O)c1ccc(C2CCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.49946937
6650,CCCOc1ccc(OC(N)=O)c(N2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20556076
6651,CCCOc1ccc(OC)c(CNC(=O)c2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13899682
6652,CCCOc1ccc(OCN2CCN(Cc3ccc(F)c(F)c3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.44518343
6653,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(Oc3ccc4c(c3)NC(=O)CCC4)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39910585
6654,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCCC(Cc3ccc4c(c3)NC(=O)CCC4)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2602946
6655,CCCOc1ccc(ONC(C)=O)c(N2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2418888
6656,CCCOc1ccc(ONC(CC)c2ccccc2)c(C(=O)Nc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.016125795
6657,CCCOc1ccc(OS(=O)(=O)NC)c(N2CCN(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.48845398
6658,CCCOc1ccc(OS(C)(=O)=O)c(CCCc2ccc(CC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.078321196
6659,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(COc3cccc4c3CCC(=O)N4)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3230624
6660,CCCOc1ccc(OS(N)=O)c(CCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.114999205
6661,CCCOc1ccc(OSC)c(N2CCC(c3ccc(C(C)=O)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12788928
6662,CCOc1cc2c(cc1O)C1Cc3cccc(Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70505923
6663,COC1CCN(CCN2CCN(c3ccccc3C3=Cc4cc(C)c(cccco4)C=N3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.57263875
6664,COC1CCN(CCN2CCN(c3ccccc3NCC3CCc4ccc(O)cc4O3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4964533
6665,COC1CCN(CCN2CCN(c3ccccc3Oc3cn4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8347642
6666,COCCOc1ccc(OC)c(NC(=O)C2CCCc3ccccc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16278368
6667,COCc1cc(OCCF)ccc1OCN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7156166
6668,CON1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(-c3cccc4ccccc34)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32208553
6669,COOc1ccc(OCCC(C)Cc2ccc(F)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08803065
6670,COOc1ccc(OCCF)cc1CN1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.71905136
6671,COc1cc2c(cc1-c1ccccn1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66300285
6672,COc1cc2c(cc1Cc1ccc(Cl)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7393337
6673,COc1cc2c(cc1O)C1Cc3cccc(COc4ccc(C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68897134
6674,COc1cc2c(cc1O)CCN1Cc3c(CO)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.86542225
6675,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)NCc4ccc(C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4367571
6676,COc1cc2c(cc1OC)C1Cc3cccc(SCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57808894
6677,COc1cc2c(cc1OCc1ccc(C(F)(F)F)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7755027
6678,COc1ccc(OCCCCCc2ccc3c(c2)CC(=O)CC3)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.20762956
6679,COc1ccc(OCCCc2cccc(OCC(F)(F)F)c2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.11410716
6680,COc1ccc(OCCF)cc1CN1CCN(C(=O)c2cccc(Cl)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.109170176
6681,COc1ccc(OCCN2CC(=O)CC(Cc3ccc(F)cc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.29329064
6682,COc1ccc(OCCN2CCC(Oc3ccc(C(C)C)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5665678
6683,COc1ccc(OCCN2CCC(Oc3ccccc3)CC2)cc1S(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.49393323
6684,COc1ccc(OCCNS(=O)(=O)c2cccc(Cl)c2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.09026078
6685,COc1ccc(OCCOC(C)=O)cc1CCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.2072927
6686,COc1ccc(OCCSC)cc1N1CCC(c2ccccc2F)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31382644
6687,COc1ccc(OCCc2c(CC(=O)N3CCC(C)CC3)cccc2OC)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.104146376
6688,COc1cccc2c1CN1CCc3cc(-c4cccc(C#N)c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65622157
6689,COc1cccc2c1CN1CCc3cc(C)c(OCc4ccc(N(C)C)cc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6687965
6690,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(F)CC2)cc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.38250154
6691,COc1ccccc1CN1CCN(CCOc2ccc(OS)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5820985
6692,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(-c4ccccn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85565984
6693,COc1ccccc1N1CCN(CCN2CCC(c3cccc(OC)c3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7336223
6694,COc1ccccc1N1CCN(COc2ccc(OCCOCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6672831
6695,COc1cccn(CCCCN2CCN(Cc3cccc(Cl)c3)CC2)c1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5411258
6696,Cc1cc(OCCNCCc2ccc(OC3CCCC3)cc2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.15609334
6697,Cc1cc(OCCNCc2ccccc2)ccc1ON=[SH](C)(O)O,[*]CCOc1ccc(O[*])c([*])c1,0.28120187
6698,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(c2ccc(OC(C)C)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22776371
6699,Cc1cc(OCCOS(C)(=O)=O)ccc1ON1CCC(Oc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25261626
6700,Cc1ccc(OCC(=O)Oc2ccc(OCCS(C)(=O)=O)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.023568984
6701,ClCCCN1CCN(Cc2cccc(NC3Cc4ccccc4C3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5421256
6702,O=C1c2ccccc2NC(CCCN2CCN(Cc3cccc(F)c3)CC2)N1c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59610325
6703,OC1CCN(CCN2CCN(c3ccccc3-c3cnn4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65606505
6704,CCCCN1CCN(Cc2cccc(-c3cccc4oc(=O)ccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4386141
6705,CCCCN1CCN(Cc2cccc(C(=O)c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.47799075
6706,CCCOc1ccc(ON2CCN(Cc3ccccc3OC)CC2)c(OC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29405397
6707,CCCOc1ccc(ONC=O)c(N2CCN(c3cccc(F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32440463
6708,CCCOc1ccc(OS(C)(=O)=O)c(Cn2ccc(CF)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11166287
6709,CCCOc1ccc(Oc2cccc(CCCF)n2)c(NCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1083418
6710,CCOCCCN1CCN(Cc2cccc(-c3ccccc3OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6021218
6711,CCOCc1cccc2c1CN1CCc3cc(OC)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70760745
6712,CCc1cc(CCc2cc(OCCS(C)(=O)=O)ccc2OC)ccc1OC1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.22855708
6713,CCc1ccccc1N1CCN(CCN2CCC(c3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7781196
6714,CNOc1ccc(OCCN2CCCC(c3cccc(C(C)=O)c3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.34981918
6715,COCCCN1CCN(Cc2cccc(C(=O)NCc3cccs3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.36958358
6716,COOc1ccc(OCCc2cccs2)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7929724
6717,COc1cc(CN2CCN(CCOc3ccc(ONC(C)=O)c(C)c3)CC2)ccc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.26881447
6718,COc1cc2c(cc1C(=O)c1ccc3ccccc3c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46904698
6719,COc1cc2c(cc1O)C1Cc3cccc(CNC(C)(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71648675
6720,COc1cc2c(cc1O)C1Cc3cccc(NC(=O)Nc4ccc(C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.2593554
6721,COc1cc2c(cc1O)C1Cc3cccc(OCc4cccc(S(C)(=O)=O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58779275
6722,COc1cc2c(cc1OC)C1Cc3cccc(-c4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6470313
6723,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)OCc4ccncc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48723757
6724,COc1cc2c(cc1OC)C1Cc3cccc(C=Cc4ccc([N+](=O)[O-])cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5438683
6725,COc1ccc(-c2ccc(C(=O)NCCN3CCN(OC)CC3)cc2OC)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27191183
6726,COc1ccc(CC2CCN(c3cc(OCCS(C)(=O)=O)ccc3OC)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.2830323
6727,COc1ccc(Cc2cc3c(cc2O)C2Cc4cccc(SC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6841647
6728,COc1ccc(Cc2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6968859
6729,COc1ccc(OCCC(C)C)cc1N1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.3261852
6730,COc1ccc(OCCCN(C)C)cc1CS(=O)(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.12060192
6731,COc1ccc(OCCN2CCC(Oc3ccccc3C)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.6248709
6732,COc1ccc(OCCN2CCC(c3ccccc3)CC2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6289827
6733,COc1ccc(OCCN2CCN(c3ccccc3C(F)(F)F)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.69350094
6734,COc1ccc(OCCN=S(C)(=O)O)cc1CCCc1cccc2ccccc12,[*]CCOc1ccc(O[*])c([*])c1,0.085346386
6735,COc1ccc(OCCNC(=O)Cc2cccs2)cc1N1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25410855
6736,COc1ccc(OCCNS(=O)(=O)c2ccccc2C(C)C)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.08138405
6737,COc1ccc(OCCNS(C)(=O)=O)cc1CCCc1ccc2c(c1)CCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.2233543
6738,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(Oc2ccc(CCc3ccccc3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2865504
6739,COc1ccc(OCCS(C)(=O)=O)cc1NCCc1cccc2nc(C)ccc12,[*]CCOc1ccc(O[*])c([*])c1,0.041036587
6740,COc1ccc(OCCc2ccc(C(C)=O)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.029848572
6741,COc1ccc2[nH]c(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)cc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70835805
6742,COc1cccc(CC(=O)NCCOc2ccc(OC)c(CN3CCN(c4ccccc4OC)CC3)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5283398
6743,COc1cccc(CN2CCN(CCCC3OC(=O)Nc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5694279
6744,COc1cccc(CN2CCN(CCCCn3ccccc3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6393708
6745,COc1ccccc1N1CCN(CCN2CCC(c3cc(F)cnc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.814678
6746,CS(=O)(=O)NOc1ccc(OCCF)cc1SCCc1ccc(CC2CCC(=O)NC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.101526566
6747,CSc1ccccc1N1CCN(CCN2CCC(Oc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70069665
6748,Cc1cc(OCCN2CC(O)=CC(c3ccccc3)C2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.21354681
6749,Cc1cc(OCCN2CCC(C(=O)OCc3ccc(F)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3940454
6750,Cc1cc(OCCN2CCC(CCc3ccccc3)CC2)ccc1ONS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5018621
6751,Cc1cc(OCCN2CCN(CCc3ccc(F)cc3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.475247
6752,Cc1cc(OCCNC(=O)C2CCc3ccccc3C2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.18682761
6753,Cc1cc(OCCNCCCc2ccc3c(c2)CC(=O)CC3)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.21027012
6754,Cc1cc(OCCNS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.0472931
6755,Cc1cc(OCCOS(=O)(=O)C(F)(F)F)ccc1ONCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.09566029
6756,Cc1cccc2c1CN1CCc3cc(C=NOCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5514775
6757,Cc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3ccccc3C#N)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6197617
6758,Cc1ccn(C2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)c(=O)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68691385
6759,FC1CCN(CCN2CCN(c3ccccc3-n3ccc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.678554
6760,Fc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccccc4)on3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6577769
6761,O=C(c1ccc(F)cc1)C1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7819913
6762,O=C(c1cccc(CN2CCN(CCCCl)CC2)c1)C1Cc2ccccc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5786094
6763,Oc1nc2ccccc2cc1Oc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7500033
6764,Sc1ccc(-c2cccc(CN3CCN(CCCCl)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70057213
6765,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3ccc(C(F)(F)F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8610864
6766,CCCC1CCN(CCOc2ccc(OC)c(S(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5451348
6767,CCCOc1ccc(OC#N)c(N2CCCC(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27866513
6768,CCCOc1ccc(OF)c(CCN2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8484156
6769,CCCOc1ccc(ON2CCC(C)CC2)c(Cc2cccs2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34487495
6770,CCCOc1ccc(ON=S(C)(=O)O)c(CCN2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6354461
6771,CCCOc1ccc(OS(C)(=O)=O)c(C2CNc3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3172789
6772,CCCOc1ccc(OS(C)(=O)=O)c(N2C(=O)CCc3ccc(CC4CCC4)cc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23011002
6773,CCCOc1ccc(OS(N)(=O)=O)c(CCN2CCC(Oc3ccc(C)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4915207
6774,CCCOc1ccc(OS(N)(=O)=O)c(CN2CCC(Oc3ccc(C)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3638203
6775,CCCOc1ccc(Oc2ccc(F)cc2)c(NC(=O)NC2CCN(Cc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5302734
6776,CCOc1ccc2c(c1)CC(CNc1cc(OCCNS(C)(=O)=O)ccc1OF)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.33404833
6777,CCOc1ccccc1C(=O)Cc1cc(OCCSC)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.04054298
6778,CCOc1ccccc1N1CCN(CCN2CCC(c3cccc(O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8179658
6779,CCOc1ccccc1N1CCN(Oc2ccc(OCCOC)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2849232
6780,CCOc1ccccc1N1CCN(Oc2ccc(OCCSC)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2796251
6781,CCOc1ccccc1S(=O)(=O)NCCOc1ccc(ON(C)S(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07930371
6782,CCc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc4ccc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.666531
6783,CN(C)c1ccc(Cc2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6992079
6784,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(CCF)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8026103
6785,COC1CCN(CCN2CCN(c3ccccc3-c3ccc4nc(O)ccc4c3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75474507
6786,COC1CCN(CCN2CCN(c3ccccc3-c3nc4ccccc4nc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.715123
6787,COC1CCN(CCN2CCN(c3ccccc3-n3ccc(C)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7168639
6788,COC1CCN(CCN2CCN(c3ccccc3Oc3cccc4cccnc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7742073
6789,COCCCN1CCN(Cc2cccc(C(=O)Nc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.34115952
6790,COCCCN1CCN(Cc2cccc(CNC(=O)C3CCC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46159157
6791,COCCCN1CCN(Cc2cccc(CS(=O)(=O)c3ccc(F)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.44827333
6792,COCCCN1CCN(Cc2cccc(Cn3ccccc3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5321657
6793,COCCOc1ccc(OC)c(CNC(=O)c2ccc(C(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.02166778
6794,COCCOc1ccc(OC)c(N2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4250693
6795,COCCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7621891
6796,CON1CCN(CCNC(=O)c2ccc(-c3cccc(Cl)c3)c([N+](=O)[O-])c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2653068
6797,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc(Br)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6774987
6798,COc1cc2c(cc1O)CCN1Cc3c(cccc3NC(=O)c3ccc4[nH]ccc4c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.2861252
6799,COc1cc2c(cc1OCc1ccc(N(C)C)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.80195636
6800,COc1ccc(-c2cc3c(cc2OC)C2Cc4cccc(NC(C)=O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.2583821
6801,COc1ccc(OCCCC2CC(=O)c3ccc(C(C)=O)cc3C2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.11388392
6802,COc1ccc(OCCF)cc1CN1CCN(C(=O)c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.102097616
6803,COc1ccc(OCCN2CCC(Cc3ccc(OC4CCCCC4=O)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.43721163
6804,COc1ccc(OCCN2CCC(NS(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5980444
6805,COc1ccc(OCCNCC2CCc3ccc(S(C)(=O)=O)cc3C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.20821245
6806,COc1ccc(OCCNCCc2ccc(F)cc2)cc1NS(=O)(=O)c1cccs1,[*]CCOc1ccc(O[*])c([*])c1,0.18252067
6807,COc1ccc(OCCNS(=O)(=O)c2cccc(F)c2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09663901
6808,COc1cccc(CN2CCN(CCCc3ccc(-c4ccccc4)s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5830359
6809,COc1cccc2c1CN1CCc3cc(C)c(OC(=O)NCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3225481
6810,COc1ccccc1N1CCN(CCN2CCC(CC(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79924923
6811,COc1ccccc1N1CCN(CCN2CCC(c3nc(-c4ccccc4)c[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.91043043
6812,COc1ccccc1N1CCN(CCN2CCC(n3ccc(-c4ccc5ccccc5n4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8707135
6813,COc1ccccc1N1CCN(CCN2CCC(n3cccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8306006
6814,COc1ccccc1N1CCN(CCN2CCC(n3nccc3-c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84713674
6815,COc1ccccc1NC(=O)CCCOc1ccc(ONS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0070814327
6816,CSc1ccc(C(=O)NC2CCCN(CCOc3ccc(ON)c(C)c3)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.25828555
6817,Cc1cc(OCCN2CCC(c3ccc(OC4CCC(=O)CC4)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.59253687
6818,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)CC(C)CS3(=O)=O)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.085408404
6819,Cc1cc(OCCNc2ccc(OCC(F)(F)F)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.05095712
6820,Cc1ccc(SC2CCN(Cc3cc(OCCN=S(C)(=O)O)ccc3OF)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.29123142
6821,O=C1C(=O)N(Cc2cccc(CN3CCN(CCCOC(F)(F)F)CC3)c2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5774665
6822,O=S1(=O)Cc2ccccc2N1CCCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7632583
6823,Sc1nc2c(-c3cccc(CN4CCN(CCCCl)CC4)c3)cccc2[nH]1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6537366
6824,C#CCc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7983434
6825,CC(=O)N(C)c1ccc(C2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6271785
6826,CCC(c1ccccc1)c1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64847714
6827,CCCOc1ccc(OC)c(C2CCC(S(=O)(=O)N3CCC(S(C)(=O)=O)CC3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24820329
6828,CCCOc1ccc(OCF)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.84646237
6829,CCCOc1ccc(OCN2CCC(Cc3ccc4ccc(OC)cc4c3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36410668
6830,CCCOc1ccc(OF)c(N2CCC(C(=O)c3ccc(OC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17529333
6831,CCCOc1ccc(ONC(C)=O)c(N2CCC(Cc3ccc4c(c3)NC(=O)CCC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28381598
6832,CCCOc1ccc(OOC)c(CN2CCC(c3ccccc3CC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6257356
6833,CCCOc1ccc(OOC)c(N2CCC(CCc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3911386
6834,CCCOc1ccc(OOC)c(NC(=O)c2cc(N3CCCC3)ccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.082224704
6835,CCCc1cccc2c1CN1CCc3cc(O)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7870408
6836,CCOc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5046691
6837,CCOc1cc2c(cc1O)CCN1Cc3c(cccc3C(C)=O)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5183556
6838,CCOc1ccccc1N1CCN(CCN2CCC(C3=CC(O)=Nc4ccc3cc4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6698916
6839,CCc1cc2c(cc1Cc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6117819
6840,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccc(Cl)cn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7940124
6841,COCCN(Cc1ccccc1)C1CCC(c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)C1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6531311
6842,COCCOc1ccc(OC=CCOc2ccccc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13358456
6843,COCCOc1ccc(ON2CCC(Nc3cccc(F)c3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23625915
6844,COc1cc2c(cc1C(=O)Nc1cccc(CO)c1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3514787
6845,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(C(C)(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72252405
6846,COc1cc2c(cc1O)C1Cc3cccc(Cc4cc(C#N)cc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6438712
6847,COc1cc2c(cc1O)CCN1Cc3c(cccc3N3CCC(OCc4ccccc4)CC3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6540401
6848,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(C)cc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7009284
6849,COc1cc2c(cc1OC)CC(CNCCOc1ccc(OC)c(SC)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.340504
6850,COc1ccc(OCCC(=O)Cc2cccc(S(C)(=O)=O)c2)cc1N(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.03331468
6851,COc1ccc(OCCCc2ccc(S(C)(=O)=O)cc2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.057761356
6852,COc1ccc(OCCF)cc1NC(=O)C1(O)CCN(Cc2ccc(SC)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19591793
6853,COc1ccc(OCCN)cc1N1CCN(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.37351733
6854,COc1ccc(OCCN2CCC(NS(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.6237911
6855,COc1ccc(OCCN2CCC(Oc3ccc(C(C)=O)cc3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.34561938
6856,COc1ccc(OCCN2CCC(Oc3ccc(CCF)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.6341777
6857,COc1ccc(OCCN2CCC(c3ccccc3)CC2)cc1N,[*]CCOc1ccc(O[*])c([*])c1,0.79109704
6858,COc1ccc(OCCN2CCN(Cc3ccco3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.39931554
6859,COc1ccc(OCCNCc2ccncc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.2038577
6860,COc1ccc(OCCNS(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06545142
6861,COc1ccc(OCCOC(=O)CCc2ccc(F)cc2)cc1N=S(C)(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.03176366
6862,COc1ccc(OCCOC(C)=O)cc1CN1CCN(C(C)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.12952009
6863,COc1ccc(OCCS(C)(=O)=O)cc1C1CCC(CN2CCC(C)CC2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.47175145
6864,COc1ccc(OCC[SH](C)C)cc1N1CCCC(CCc2ccc3c(c2)NC(=O)CS3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25418127
6865,COc1cccc(-c2cc(C(=O)NCCN3CCN(O)CC3)ccc2O)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33056474
6866,COc1cccc(CN2CCN(CCCNc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.42741984
6867,COc1cccc2c1CN1CCc3cc(Cc4ccc(C#N)cc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6679994
6868,COc1ccccc1-c1cc(C(=O)NCCN2CCN(C)CC2)ccc1S(=O)(=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.25480375
6869,COc1ccccc1C1CCN(CCN2CCN(c3ccccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73495924
6870,COc1ccccc1N1CCN(CCN2CCC(c3ccc(N)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8404632
6871,CSC1CCN(CCN2CCN(c3ccccc3-n3c(O)nc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6414618
6872,CSCCCN1CCN(Cc2cccc(Cc3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62875175
6873,Cc1cc(OCCCNS(C)(=O)=O)ccc1ON1CCC(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21760592
6874,Cc1cc(OCCN2CCC(Cc3ccc4sccc4c3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5410904
6875,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)NC(=O)CC3)ccc1ON1CCN(C)CS1,[*]CCOc1ccc(O[*])c([*])c1,0.08329416
6876,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(COc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28211516
6877,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(Oc2ccc(CC(=O)O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1135076
6878,Cc1ccc(CCCOc2ccc(OCCCS(C)(=O)=O)cc2C)o1,[*]CCOc1ccc(O[*])c([*])c1,0.092658855
6879,Cc1ccccc1N1CCN(CCN2CCC(CN3C(=O)c4ccccc4C3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6461392
6880,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)NCc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6835013
6881,N#CC1CCN(CCN2CCN(c3ccccc3-c3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87690705
6882,O=c1ncc(F)cn1-c1ccccc1N1CCN(CCN2CCC(C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.63377845
6883,Oc1cc2c(cc1N=CNCc1ccccc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52090496
6884,CC(=O)NC1c2ccccc2CCC1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6212905
6885,CCCCc1ccc(S(=O)(=O)Nc2cc(OCCC)ccc2ONS(C)(=O)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.0492054
6886,CCCOc1ccc(OCCN2CCN(c3ccccc3OC)CC2)c(CS(=O)(=O)O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.80174327
6887,CCCOc1ccc(OCN2CC(C(=O)O)=CCc3ccccc32)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13949068
6888,CCCOc1ccc(ON)c(N2CCN(c3ccccn3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33414555
6889,CCCOc1ccc(ON=S(C)(=O)O)c(NC(=O)CC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.008073451
6890,CCCOc1ccc(OOC)c(CSc2ccc(CCc3ccccc3)cn2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11530221
6891,CCCOc1ccc(OS(=O)(=O)O)c(NC(=O)COc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0087588485
6892,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3cc(F)ccc3CCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3013433
6893,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3ncccc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26043895
6894,CCCOc1ccc(OS(N)(=O)=O)c(N2CC3CCC(CC3)C2Cc2ccc(SC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13364013
6895,CCOc1cc2c(cc1OC)C1Cc3cccc(Cn4ccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6513962
6896,CCOc1cccc(Cc2cc3c(cc2OC)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67531276
6897,CCOc1ccccc1N1CCN(CCN2CCC(c3ccccc3C#N)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7615249
6898,CCOc1ccccc1N1CCN(Cc2cc(OCCNC(=O)c3ccc(F)cc3)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.69953877
6899,COC1CCN(CCN2CCN(c3ccccc3-n3ccc(C=C(O)O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5780983
6900,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccc4cccc(O)c4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69985354
6901,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3ccc4ncccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.61876106
6902,COC1CCN(CCN2CCN(c3ccccc3COc3ccc4c(O)nc(O)cc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.60946804
6903,COC1CCN(CCN2CCN(c3ccccc3NS(=O)(=O)c3sc4ccc(F)cc4c3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5205019
6904,COCCCN1CCN(Cc2cccc(N3OCc4ccccc4C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5459528
6905,COCc1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79007334
6906,COc1c(C(=O)NCCCN2CCN(Cc3cccc(F)c3)CC2)ccc2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.31986812
6907,COc1c(CCc2ccccc2)ccc2c1CC(CCOc1ccc(ONS(C)(=O)=O)c(C)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.32063615
6908,COc1cc2c(cc1-c1cccc(C#N)c1)CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56945515
6909,COc1cc2c(cc1-c1cccc(OCc3ccccc3)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6424052
6910,COc1cc2c(cc1O)C1Cc3cccc(CCOc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75502443
6911,COc1cc2c(cc1O)C1Cc3cccc(CNC(=O)CCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.31742957
6912,COc1cc2c(cc1O)CCN1Cc3c(cccc3OC(=O)Cc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5108214
6913,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccnc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5966976
6914,COc1cc2c(cc1OC)C1Cc3cccc(CCNC(=O)c4cc5ccccc5[nH]4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45373243
6915,COc1cc2c(cc1SC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7805198
6916,COc1ccc(CNCc2cc3c(cc2OC)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.636607
6917,COc1ccc(F)cc1CCCOc1ccc(OC)c(C(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06200477
6918,COc1ccc(OCCF)cc1CNC(=O)C1CCN(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3027743
6919,COc1ccc(OCCN2CCN(Cc3ccc(F)c(F)c3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.47835487
6920,COc1ccc(OCCN2CCN(Cc3ccccc3)CC2)cc1S(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.5021033
6921,COc1ccc(OCCc2ccc(C(C)=O)cc2)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.59889597
6922,COc1cccc(CN2CCN(CCCN3C(C)CCS3(=O)=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5994456
6923,COc1cccc(NC(=O)c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4207433
6924,COc1cccc2c1CN1CCc3cc(Cc4cccc([N+](=O)OC)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60727715
6925,COc1ccccc1N1CCN(CCN2CCC(C(=O)Nc3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.701328
6926,CS(=O)Oc1cccc(CN2CCN(CCCCc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7010121
6927,CSc1ccc(Oc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8344732
6928,Cc1cc(OCCN2CC(O)C=Cc3ccccc32)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.11803583
6929,Cc1cc(OCCN2CCC(c3ccc(Cl)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.66974074
6930,Cc1cc(OCCNCc2ccccc2)ccc1O[SH](C)N(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.31489882
6931,Cc1cc(OCCNS(=O)(=O)c2cccc(C(C)C)c2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.048150197
6932,Cc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1ccccc1N(C)C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29110134
6933,Cc1ccc(S(=O)(=O)CCCOc2ccc(OS(C)(=O)=O)c(C)c2)cc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.11549451
6934,Cc1ccccc1N1CCN(CCN2CCC(c3ncc[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6666215
6935,ClC1CCN(CCN2CCN(c3ccccc3-n3cccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7757798
6936,Clc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccccc4)ncn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74885
6937,FC(F)(F)c1cccc(CN2CCN(CCCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.78027457
6938,O=C(Nc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2)Nc1ccc(Cl)cc1Cl,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38772583
6939,O=S1(=O)Cc2ccccc2N1CCCN1CCN(Cc2cccc(O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.74794817
6940,O=c1ccc2cc(Cc3cccc(CN4CCN(CCCC(F)(F)F)CC4)c3)ccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61385244
6941,Oc1cc2c(cc1CCCc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7456566
6942,Oc1cc2cc(-c3cccc(CN4CCN(CCCc5ccccc5)CC4)c3)cccc-2n1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6531894
6943,Oc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4cccc(F)c4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7032502
6944,C=COc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7091779
6945,CC(C)(C)CCCN1CCN(Cc2cccc(C3CCc4ccccc4C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64120317
6946,CC(O)C1CCN(CCN2CCN(c3ccccc3-n3c(O)cc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7085881
6947,CC1CCN(CCN2CCN(c3ccccc3Oc3ccc4cc(O)ncc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7858861
6948,CC1Cc2ccccc2N1CCCN1CCN(Cc2cccc(S(C)(=O)=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62148213
6949,CCCCN1CCN(Cc2cccc(C3CCC(NC(=O)c4cccs4)CC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49871892
6950,CCCOc1ccc(OC(C)=O)c(CN2CCN(c3ccccc3OC(C)C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6069528
6951,CCCOc1ccc(OCN2CCN(c3ccccc3OC)CC2)c(OC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6085939
6952,CCCOc1ccc(ON(C)C)c(CS(=O)(=O)c2ccc(CC3CCCC(O)C3)c3ccccc23)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10325924
6953,CCCOc1ccc(ON2CCC(c3ccc(F)cc3)CC2)c(NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12028267
6954,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(Oc3ccc4c(c3)CNC(=O)C4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3708453
6955,CCCOc1ccc(ONS(C)(=O)=O)c(N2CC3CCCCC(CC3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22254549
6956,CCCOc1ccc(ONS(C)(=O)=O)c(NCc2cccs2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.061249334
6957,CCCOc1ccc(OS(=O)(=O)c2ccc(F)cc2)c(CNC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03230448
6958,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)COc2ccccc2N2CCCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.088329755
6959,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(c3ccc(OCC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29335296
6960,CCCOc1ccc(OSC)c(N2CCC(C(=O)Nc3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.058298722
6961,CCOC(=O)c1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43490732
6962,CCOCc1cc(OCCOC)ccc1OCN1CCN(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.47943088
6963,CCOc1ccccc1C(=O)NCCOc1ccc(OC)c(SC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.035599325
6964,CCOc1ccccc1C1CCN(CCOc2ccc(OC)c(OS)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.72883123
6965,CNCCOc1ccc(OC)c(NS(=O)(=O)c2cc(C(C)C)ccc2C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06132598
6966,COC(=O)CCOc1ccc(OC)c(N2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25370464
6967,COC1CCN(CCN2CCN(c3ccccc3-c3cc(C)ccc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6911013
6968,COC1CCN(CCN2CCN(c3ccccc3-c3cccc4nc(O)oc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7040162
6969,COCCOc1ccc(OC)c(C(=O)COc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17860709
6970,COCCOc1ccc(OC)c(N2CCC(Cc3cccc(F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3916005
6971,COCCOc1ccc(OC)c(N2CCCN(c3cccc(Cl)c3C(F)(F)F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33446229
6972,COOc1ccc(OCCN2CCC(Oc3ccc4ccccc4c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6436408
6973,COc1cc2c(cc1-c1cccc(C)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6758167
6974,COc1cc2c(cc1C[N+]Cc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7544767
6975,COc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.9152844
6976,COc1cc2c(cc1O)CCN1Cc3c(CCNCc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6625623
6977,COc1cc2c(cc1OC)C1Cc3cccc(NC(=O)c4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.25616553
6978,COc1ccc(OCCCNC(C)=O)cc1-c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.05589123
6979,COc1ccc(OCCCOCc2ccccc2)cc1NC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06246783
6980,COc1ccc(OCCCS(=O)(=O)c2cc(F)ccc2CF)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10574143
6981,COc1ccc(OCCCSCc2ccc(C=O)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.0604102
6982,COc1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1O,[*]CCOc1ccc(O[*])c([*])c1,0.58596987
6983,COc1ccc(OCCN2CCC(Nc3cccc(C(F)(F)F)c3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.45356536
6984,COc1ccc(OCCN2CCC(c3ccccc3)CC2)cc1C(=O)C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.53542876
6985,COc1ccc(OCCNCCc2cc3ccccc3o2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.21248347
6986,COc1cccc(C(=O)Nc2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)c1OC,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.42787468
6987,COc1cccc(C2CCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)CC2)c1OC,[*]CCOc1ccc(O[*])c([*])c1,0.7043981
6988,COc1cccc(CN2CCN(CCCc3nc(-c4cccc(OC)c4)cs3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4582294
6989,COc1ccccc1N1CCN(CCN2CCC(Cc3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8324606
6990,COc1ccccc1N1CCN(CCN2CCC(NCc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8922129
6991,CS(=O)(=O)NOc1ccc(OCCF)cc1CCCN1CCC(C(F)(F)F)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7139377
6992,CSOc1ccc(OCCNCCc2ccc3c(c2)CC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.17804292
6993,Cc1cc(OCCF)ccc1OCN1CCN(C(=O)c2ccc(S(C)(=O)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.055768255
6994,Cc1cc(OCCN2CCC(Oc3ccccc3C3CCCCN3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.6459467
6995,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)N(C)C(=O)CC3)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.07664389
6996,Cc1ccc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)nc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6776545
6997,Cc1cccc(CN2CCN(CCCC3(C)C(=O)Nc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5644159
6998,Cc1cccc2c1CN1CCc3cc(O)c(CO)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55358905
6999,Cc1ccccc1N1CCN(CCN2CCC(c3cnc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7136111
7000,N#Cc1ccc(Cc2cccc3c2CN2CCc4cc(CO)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6815789
7001,O=C(OCc1ccccc1)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47209138
7002,O=S(=O)(c1ccc(F)nc1)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6615471
7003,OC(Cc1ccccc1)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7187127
7004,OC1CCN(CCN2CCN(c3ccccc3Oc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8329505
7005,Oc1cccc2c1CN1CCc3cc(Nc4ccnc5ccccc45)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.605206
7006,C=CCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69964385
7007,CC(=O)NCC(=O)N1CCN(COc2ccc(OCCF)cc2C)c2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.10904784
7008,CC(=O)NCCOc1ccc(OCN2CCC(C(=O)c3ccc(Cl)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25372267
7009,CC(C)Oc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8951331
7010,CC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3cc4ccccc4s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6295935
7011,CCCC1=CC=CC=C(CC(=O)NOc2ccc(OCCN=S(C)(=O)O)cc2C)C12CC2,[*]CCOc1ccc(O[*])c([*])c1,0.041009698
7012,CCCCN1CCN(Cc2cccc(N3C(=O)c4ccccc4S3(=O)=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5114496
7013,CCCCc1ccccc1-c1cc(OCCOC)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.15692976
7014,CCCNC(=O)Oc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4644795
7015,CCCOc1ccc(OC)c(CN2CCN(Cc3ccc(F)c(OC)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.53174746
7016,CCCOc1ccc(OOC)c(CCNC(=O)c2cccc(NC3CCN(C)C3)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15356578
7017,CCOOc1ccc(OCCCN2CCN(c3ccccc3OC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.8756846
7018,CCOc1ccc(C(=O)NOc2ccc(OCCNS(C)(=O)=O)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.016702045
7019,CCOc1ccccc1N1CCN(Oc2ccc(OCCNC(C)=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20393737
7020,CCc1ccccc1N1CCN(CCOc2ccc(OC)c(OC)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8607008
7021,CN1CCN(CCNC(=O)c2ccc(Cl)c(-c3cccs3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32089764
7022,COC(=O)Nc1ccc(Cc2cc3c(cc2OC)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32006004
7023,COC1CCN(CCN2CCN(c3ccccc3-c3nccc4ccc(O)cc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72964716
7024,COCCCN1CCN(Cc2cccc(-c3cccc(S(=O)(=O)NC4CCCC4)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.52966696
7025,COCCOc1ccc(OC)c(CNC(=O)c2ccccc2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0224031
7026,COCCOc1ccc(OCN2CCCN(c3ccc(F)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.45602944
7027,COOc1ccc(OCCOC(=O)CCc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.051485427
7028,COc1cc2c(cc1O)C1Cc3cccc(C(=O)NCc4ccc([N+](=O)C(F)(F)F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.516952
7029,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cc(CO)ccn3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6437336
7030,COc1cc2c(cc1O)CCN1Cc3c(cccc3N3CCCC3=O)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5988774
7031,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCC(C)c3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6763186
7032,COc1ccc(OCCC(=O)COc2ccccc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.034215726
7033,COc1ccc(OCCCN2CCC(Cc3ccccc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.6668638
7034,COc1ccc(OCCCN2CCN(c3ccccc3C(C)=O)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.8611229
7035,COc1ccc(OCCN2CCN(c3cccc(Cl)c3)CC2)cc1OC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.7394008
7036,COc1ccc(OCCN2CCOC(CCc3ccccc3)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.4995902
7037,COc1ccc(OCCNC(C)=O)cc1COc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.034169108
7038,COc1ccc(OCCNCc2ccccc2)cc1S(=O)(=O)N(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.29081625
7039,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.24732192
7040,COc1ccc(OCCS(C)(=O)=O)cc1NCCc1coc2cc(F)ccc12,[*]CCOc1ccc(O[*])c([*])c1,0.05261029
7041,COc1cccc(CN2CCN(CCCCc3ccccc3N3C(=O)c4ccccc4C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68257415
7042,COc1cccc2c1CN1CCc3cc(C(=O)Nc4c(Cl)cccc4CO)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43158415
7043,COc1cccc2c1CN1CCc3cc(C4CC4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65942454
7044,COc1cccc2c1CN1CCc3cc(Cc4ccccc4)c(OC(C)=O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4691561
7045,COc1ccccc1N1CCN(CCN2CCC(C(=O)Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8574554
7046,COc1ccccc1N1CCN(CCN2CCC(n3cnc4cc(C(=O)O)ccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8141366
7047,COc1ccccc1NC(=O)c1cc(OCCF)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.025845101
7048,CSOc1ccc(OCCN2CCCC(Oc3ccc4c(c3)NC(=O)CCS4)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.45401385
7049,CSOc1ccc(OCCN2CCN(c3cc(C(C)C)ccc3S(C)(=O)=O)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.52215254
7050,CSc1ccc(OC2CCN(CCOc3ccc(OOS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.4902577
7051,Cc1cc(OCCC(=O)COc2cccc(CF)c2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.026734838
7052,Cc1cc(OCCCCCCc2ccc(F)cc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09816124
7053,Cc1cc(OCCN2CCC(Cc3ccc(F)cc3)C2)ccc1ONC(=O)c1ccco1,[*]CCOc1ccc(O[*])c([*])c1,0.32310283
7054,Cc1cc(OCCNCC2C(=O)CCc3ccc(CCC(=O)O)cc32)ccc1OOS,[*]CCOc1ccc(O[*])c([*])c1,0.11806926
7055,Cc1cc(OCCS(C)(=O)=O)ccc1OCCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.117540054
7056,Cc1cc(OCCc2ccc(CC3CCN(C)CC3)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.33868697
7057,Cc1ccccc1N1CCN(CCN2CCC(n3ccc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7000639
7058,Clc1ccc(Oc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87189794
7059,O=C(NCCN1CCN(F)CC1)c1ccc(F)c(-c2ccc(Cl)cc2)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.36186117
7060,O=C1c2ccccc2C(=O)N1CCCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7681048
7061,O=C1c2ccccc2CCCC1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.75487286
7062,O=CC1c2ccccc2C(=O)N1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66666114
7063,O=Cc1cccc2c1CN1CCc3cc(Cc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67992747
7064,O=S(=O)(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1ccc2ccccc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5458147
7065,Oc1cc2c(cc1O)C1Cc3cccc(NOCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5380956
7066,CC(C)C(=O)Nc1cccc(CCCN2CCN(Cc3cccc(OC(F)(F)F)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.31300116
7067,CC1Cc2ccccc2CN1C(=O)CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63703865
7068,CC1c2ccccc2S(=O)(=O)N1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6018247
7069,CCCOc1ccc(OCOCC)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8344455
7070,CCCOc1ccc(ON2CCN(c3ccccc3OC)CC2)c(CF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3445491
7071,CCCOc1ccc(ON=S(C)(=O)O)c(NCCc2cccc3ccccc23)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08967083
7072,CCCOc1ccc(OOC)c(OC2CCN(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.41407984
7073,CCCOc1ccc(OS(N)(=O)=O)c(CCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12600447
7074,CCCOc1ccc(OSC)c(CCOc2ccc3c(c2)CCC(=O)N3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12458858
7075,CCCc1ccc(OC)cc1-c1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72491246
7076,CCOc1ccccc1NCc1cc(OCCC(=O)NC)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.005907732
7077,CN1CCN(CCNC(=O)c2ccc(Cl)c(-c3ccccn3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.36162093
7078,CNOc1ccc(OCCN2CCC(c3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5735621
7079,COC1CCN(CCN2CCN(c3ccccc3-c3nc4ccccc4[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8267821
7080,COC1CCN(CCN2CCN(c3ccccc3CCn3cc(F)cnc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6335361
7081,COCCCN1CCN(Cc2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.38903484
7082,COOc1ccc(Cc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7165745
7083,COOc1ccc(OCCN2CCC(COc3ccc4c(c3)NC(=O)CC4)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.59831065
7084,COOc1ccc(OCCN2CCN(c3ccc(C(C)C)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.536014
7085,COc1cc2c(cc1-c1c(C)cccc1C)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75114274
7086,COc1cc2c(cc1O)C1Cc3cccc(C4CCCO4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7297411
7087,COc1cc2c(cc1O)C1Cc3cccc(COCc4ccc([N+](=O)[O-])cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56401366
7088,COc1cc2c(cc1OC(=O)c1cccs1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.459397
7089,COc1cc2c(cc1OC)C1Cc3cccc(-n4cccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67372435
7090,COc1cc2c(cc1OC)C1Cc3cccc(C=Nc4ccc5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7468689
7091,COc1ccc(OCCCCc2cccc(F)c2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.12256689
7092,COc1ccc(OCCCNS(C)(=O)=O)cc1N1CCC(c2ccc(C=S(C)(=O)O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2913656
7093,COc1ccc(OCCN2CC(Cc3ccc4ccccc4c3)CC=[SH]2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.22113802
7094,COc1ccc(OCCN2CCC(C(C)=O)CC2)cc1NS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.36463395
7095,COc1ccc(OCCN2CCC(Oc3ccc(SC)cc3)CC2)cc1S(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.41370934
7096,COc1ccc(OCCN2CCC(c3ccccc3)CC2)cc1C(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6124044
7097,COc1ccc(OCCN=S(C)(=O)O)cc1-c1cc(OCC2CCCCC2)cc2c1CCC(=O)N2,[*]CCOc1ccc(O[*])c([*])c1,0.119969994
7098,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1NS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.014188099
7099,COc1ccc(OCCNCCc2ccc3c(c2)OC(=O)CC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.23505208
7100,COc1ccc(OCCOC(C)C)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06663782
7101,COc1cccc(-c2cccc(CN3CCN(CCCC(F)(F)F)CC3)c2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5159308
7102,COc1cccc(CN2CCN(CCCC3Oc4ccccc4-c4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5947813
7103,COc1cccc2c1CN1CCc3cc(CNc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.541466
7104,Cc1cc(OCCCCOc2ccc3c(c2)NC(=O)CC3)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.23162024
7105,Cc1cc(OCCCN2CCC(Cc3ccccc3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.6466185
7106,Cc1cc(OCCN2CCC(Cc3ccc(F)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6133409
7107,Cc1cc(OCCNC(=O)COc2ccc3c(c2)CCCC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.049342398
7108,Cc1cc(OCCNC(=O)Cc2ccccc2)ccc1ON1CCN(S(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.029930137
7109,Cc1cc(OCCNCC2CCCc3ccc(CC(=O)O)cc32)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.13776383
7110,Cc1cc(OCCNCCc2ccccc2)ccc1ONC=O,[*]CCOc1ccc(O[*])c([*])c1,0.20557334
7111,Cc1cc(OCCNS(C)(=O)=O)ccc1OC(=O)COc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.08205403
7112,Cc1cc(OCCNS(C)(=O)=O)ccc1OC(O)CCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.11443124
7113,Cc1cc(OCCOC(C)c2ccc(S(C)(=O)=O)cc2)ccc1ON1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.11678775
7114,Cc1ccc(-c2cccc3c2CN2CCc4cc(O)c(C)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5404152
7115,Cc1ccc(C2CCN(CCOc3ccc(ON=S(C)(=O)O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.48412153
7116,Cc1cccc2c1CN1CCc3cc(Cc4ccc([N+](=O)[O-])cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40799293
7117,Cc1ccccc1-c1cc(C(=O)NCCN2CCN(O)CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27352828
7118,Cc1ccccc1N1CCN(CCN2CCC(Nc3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7059249
7119,FC1CCN(CCN2CCN(c3ccccc3Nc3cc(-c4ccccc4)ccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5043705
7120,Fc1cccc(Cc2cccc(CN3CCN(CCCCl)CC3)c2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6693786
7121,O=C(NCCCN1CCN(Cc2cccc(F)c2)CC1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.43864283
7122,O=C1Nc2ccccc2CC1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5508453
7123,O=c1n(-c2ccccc2)ccn1-c1cccc(CN2CCN(CCCOC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63555884
7124,Oc1ccc2cccc(-c3cc4c(cc3O)C3Cc5cccc(O)c5CN3CC4)c2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7341338
7125,CC(=O)S(=O)(=O)OOc1ccc(OCCN2CCC(Cc3ccc4ccccc4c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5094049
7126,CC(C)Oc1cccc(-c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.451937
7127,CC(C)c1ccccc1N1CCN(CCN2CCC(C(=O)NCc3ccncc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67492163
7128,CCCC(=O)Nc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.29532444
7129,CCCOc1ccc(OC)c(NC(C)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10995295
7130,CCCOc1ccc(OCC(=O)Nc2ccc(F)cc2)c(CN(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.004478539
7131,CCCOc1ccc(OCS(C)(=O)=O)c(N2CCC(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2502366
7132,CCCOc1ccc(ON2CCC(c3ccccc3OC3CCCCC3)CC2)c(OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3982614
7133,CCCOc1ccc(ON2CCCN(c3cccc(C(F)(F)F)c3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3688566
7134,CCCOc1ccc(ONC(=O)Cc2ccc(F)cc2)c(C(=O)Nc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.031763066
7135,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCc3cccc(CCC4CCC4)c3CC2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33525586
7136,CCCOc1ccc(OOC)c(N2CCC(c3noc4cc(F)ccc34)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40054873
7137,CCCc1ccc(OC2CCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.5300354
7138,CCOc1ccccc1Cc1cc(OCCOC)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.1501687
7139,CCOc1ccccc1N1CCN(CCN2CCC(c3cccc(C#N)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8139647
7140,COC1CCN(CCN2CCN(c3ccccc3CNS(=O)(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72973496
7141,COCCCN1CCN(Cc2cccc(-c3cccc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.568494
7142,COCCCN1CCN(Cc2cccc(-c3cccc4sc(C(N)=O)cc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4022916
7143,COCCOc1ccc(OC)c(NC(=O)Cc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.015048343
7144,COOc1ccc(OCCC(F)CCc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.12473176
7145,COc1cc2c(cc1-c1ccc(F)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7356425
7146,COc1cc2c(cc1Cc1ccc(N)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7228939
7147,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(C#N)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6961659
7148,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(C)cc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6647342
7149,COc1cc2c(cc1O)CCN1Cc3c(cccc3[N+](=O)c3ccc(C#N)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64990735
7150,COc1cc2c(cc1OC)C1Cc3cccc(CCNOCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62903225
7151,COc1cc2c(cc1OC)C1Cc3cccc(COc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78823173
7152,COc1cc2c(cc1OC)C1Cc3cccc(OCc4ccc(N(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7555407
7153,COc1cc2c(cc1OC)C1Cc3cccc(OCc4ccc(OCc5ccccc5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7066365
7154,COc1ccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71027046
7155,COc1ccc(C(=O)NCCN2CCN(N)CC2)cc1-c1ccccc1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.36704618
7156,COc1ccc(CNC(=O)Oc2ccc(OCCF)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.019211797
7157,COc1ccc(F)cc1CCOc1ccc(OCN2CCC(Oc3ccccc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.50322366
7158,COc1ccc(OCCC=Cc2ccccc2)cc1CN=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.0725474
7159,COc1ccc(OCCCN2CCC(Oc3cc4ccccc4o3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.629726
7160,COc1ccc(OCCCS(=O)(=O)c2cc(F)ccc2F)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10108638
7161,COc1ccc(OCCN2CCC(C(=O)c3cc(F)ccc3C)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.55253625
7162,COc1ccc(OCCNC2CCC(Cc3ccc(F)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.22053128
7163,COc1ccc(OCCNCC2CCc3ccc(CC(=O)O)cc3CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.20485725
7164,COc1cccc(-c2cc(C(=O)NCCN3CCN(OC)CC3)ccc2F)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3260909
7165,COc1cccc(-c2cc3c(cc2OC)C2Cc4cccc(C)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62389386
7166,COc1cccc(CN2CCN(CCCN3C(=O)Cc4ccccc4C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.748332
7167,COc1cccc(CN2CCN(CCCOC(=O)c3cc4ccccc4s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.42324558
7168,COc1ccccc1N1CCN(CCN2CCC(C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.60779744
7169,COc1ccccc1N1CCN(CCN2CCC(C(=O)N3c4ccccc4CC3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7351448
7170,Cc1cc(OCCCC(=O)c2ccc3c(c2)CNCC3)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10339205
7171,Cc1cc(OCCN2CCC(COc3ccc(F)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.62525904
7172,Cc1cc(OCCN2CCN(Cc3cc4ccccc4o3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5593768
7173,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(N(C)C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23414418
7174,Cc1ccc(CCN2CCN(c3cc(OCCF)ccc3ONS(C)(=O)=O)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.4733538
7175,Cc1cccc(-c2cc3c(cc2C)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6784554
7176,ClC1CCN(CCN2CCN(c3ccccc3Oc3ccc4nccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7950691
7177,N#Cc1ccc(Cc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6879721
7178,NS(=O)(=O)c1ccccc1-c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5910061
7179,O=C1CCc2ccc(OCCCCN3CCN(Cc4cccc(O)c4)CC3)cc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7632302
7180,O=C1NCC(CCCN2CCN(Cc3cccc(Cl)c3)CC2)N1c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58821416
7181,O=C1c2ccccc2CCN1c1cccc(CN2CCN(CCCO)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.74188894
7182,O=C1c2ccccc2S(=O)(=O)N1c1cccc(CN2CCN(CCCOC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6128348
7183,O=S1(=O)Cc2ccccc2C2(CCCC2)N1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62641823
7184,O=c1sc2ccccc2n(CCCCN2CCN(Cc3cccc(F)c3)CC2)c1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59795415
7185,OCCCN1CCN(Cc2cccc(Cn3ccc(-c4ccccc4)n3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60640115
7186,CC1CCN(CCN2CCN(c3ccccc3-n3cc(C(F)(F)F)ccc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5946014
7187,CCCOc1ccc(OCN2CCC(C(=O)O)=Cc3ccccc32)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14287496
7188,CCCOc1ccc(ON2CCN(c3ccc(Cl)cc3)CC2)c(C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30692983
7189,CCCOc1ccc(ON2CCN(c3ccccc3OCC)CC2)c(N)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4136564
7190,CCCOc1ccc(ONC(=O)Cc2cccnc2)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5583454
7191,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(CCc3ccc4c(c3)NC(=O)CC4=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24628137
7192,CCCOc1ccc(OOC)c(CNc2ccccc2OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10783669
7193,CCCOc1ccc(OOc2ccccc2CCC)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8209072
7194,CCCOc1ccc(OS(=O)(=O)O)c(N2CCN(c3ccc(OCC(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17609498
7195,CCCOc1ccc(OS(C)(=O)=O)c(CCc2cccc(NC(C)=O)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.015311358
7196,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(c3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26919463
7197,CCCc1ccc(CCOOc2ccc(OCCNS(C)(=O)=O)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.09652001
7198,CCOc1cc2c(cc1O)CCN1Cc3c(Cc4cccs4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6322657
7199,COC1CCN(CCN2CCN(c3ccccc3COc3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74286336
7200,COCCCN1CCN(Cc2cccc(C3NS(=O)(=O)Cc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61065507
7201,COCCCN1CCN(Cc2cccc(S(=O)(=O)c3ccc4cccn4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.38406703
7202,COCCOc1ccc(OC)c(C(F)(F)COc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15116747
7203,CON1CCN(CCNC(=O)c2ccc(Cl)c(-c3ccccc3Cl)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.38692716
7204,COOc1ccc(OCCN2CCC(c3cccc(NC=O)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.56246704
7205,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)c3ccc(F)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53853977
7206,COc1ccc(-c2ccc(C(=O)NCCN3CCN(C)CC3)cc2OC)c(OC)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.23444234
7207,COc1ccc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)cc1F,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.9311172
7208,COc1ccc(OCCN2CCN(CC(C)=O)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.27629828
7209,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.21699965
7210,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(Oc2ccc3c(c2)NC(=O)CCC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.4448107
7211,COc1ccc(OCCNC(=O)CCc2ccccc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.027172722
7212,COc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1CSc1ccc(NC(C)=O)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.0046626045
7213,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.020311462
7214,COc1ccc(OCCNS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.054028217
7215,COc1ccc(OCCNS(C)(=O)=O)cc1NS(=O)(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.055884406
7216,COc1ccc(OCCSC)cc1N1CCCN(c2cccc(C(F)(F)F)c2Cl)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3347942
7217,COc1ccc(OCC[SH](C)C)cc1OC(=O)CCc1ccc2c(c1)CC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.13231005
7218,COc1ccc(Oc2cccc(CN3CCN(CCCCl)CC3)c2)c2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6193355
7219,COc1cccc(CN2CCN(CCCc3ccc(-c4ccccc4)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6905002
7220,COc1cccc(CN2CCN(CCCc3cccc(C=S(N)(=O)O)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5038461
7221,COc1cccc(CN2CCN(CCCc3ccccc3O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5456737
7222,COc1cccc(COC(=O)c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44802386
7223,COc1cccc(NC(=O)Nc2cc(OCCNCCc3ccc(F)cc3)ccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06321284
7224,CS(=O)(=O)NOc1ccc(OCCF)cc1NC(=O)COc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.007011236
7225,CS(=O)(=O)c1cccc(CN2CCN(CCCCc3ccc(Cl)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64460975
7226,Cc1cc(OCCC(O)COc2ccccc2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.043729078
7227,Cc1cc(OCCF)ccc1OCN1CCC(NS(=O)(=O)c2cccc(Cl)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5078638
7228,Cc1cc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)ccc1ONS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.5456122
7229,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(CCc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1673377
7230,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCCC(c2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.14837782
7231,Cc1cc(OCCNC(=O)c2ccc(F)cc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.018213162
7232,Cc1cc(OCCNS(=O)(=O)c2ccc(F)cc2)ccc1ON1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.084253386
7233,Cc1ccccc1N1CCN(CCN2CCC(N(C)c3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7213211
7234,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(O)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.60040766
7235,Cc1ccccc1N1CCN(CCN2CCC(Nc3ncc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69927967
7236,Clc1cccc(CN2CCN(CCCC3Cc4ccccc4C3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.777614
7237,Clc1cccc(CN2CCN(CCCc3cc(C=Cc4ccccc4)no3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6930055
7238,FC(F)(F)c1cccc(CN2CCN(CCCCc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.8155953
7239,Fc1ccc(-c2cccc(-c3ccccc3N3CCN(CCN4CCC(F)CC4)CC3)n2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69520146
7240,N#CC1CCN(CCN2CCN(c3ccccc3-n3c(O)nc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7525051
7241,N=S(O)(O)=Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5934779
7242,NS(=O)(=O)COc1ccc(OCCF)cc1CN1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.28139883
7243,O=C(Nc1ccccc1)C1CCN(CCN2CCN(c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5125314
7244,O=c1ccc2cc(OCCCCN3CCN(Cc4cccc(Cl)c4)CC3)ccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6943748
7245,OC1CCN(CCN2CCN(c3ccccc3Oc3cccc(F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8330442
7246,Oc1nc(F)cn1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68931425
7247,CC(=O)NOc1ccc(OCCN2CCC(Oc3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.41780993
7248,CC(=O)c1cc(OCCF)ccc1OCNCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.075612694
7249,CC(C)OC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66152024
7250,CC1CCN(Cc2cc(OCCNS(C)(=O)=O)ccc2ONS(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3851022
7251,CC1Cc2ccccc2N1C(=O)c1cccc(CN2CCN(CCC[N+](=O)[O-])CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5764744
7252,CCCOc1ccc(OC(=O)c2ccc(F)cc2)c(CN(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04449857
7253,CCCOc1ccc(ON2CCN(Cc3ccc(OCC)o3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.41326544
7254,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3ccc(SC4CCCCC4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24144028
7255,CCCOc1ccc(OS(N)(=O)=O)c(N2CCCC(COc3ccc4c(c3)CCCC(=O)N4)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29237795
7256,CCCOc1ccc(O[SH](C)(=O)O)c(CCC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.055920556
7257,CCOc1ccc(COc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66919905
7258,CCOc1cccc(CN2CCN(CCCN3C(=O)Cc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5842962
7259,CCOc1cccc2c1CN1CCc3cc(OC)c(OCc4ccc5ccccc5c4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6402155
7260,CCc1ccc(NC(=O)C2CCN(CS(=O)(=O)c3cc(OCCF)ccc3OC)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.123803094
7261,COC1CCN(CCN2CCN(c3ccccc3C(=O)Oc3ccc4c(c3)NC(=O)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70848227
7262,COCCOc1ccc(OC)c(CCOc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1437402
7263,COc1cc(C#N)cc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75734496
7264,COc1cc(C(=O)NCCN2CCN(C)CC2)ccc1-c1ccccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.24888305
7265,COc1cc2c(cc1C(C)=O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5262888
7266,COc1cc2c(cc1O)CCN1Cc3c(C=N)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.82390296
7267,COc1cc2c(cc1O)CCN1Cc3c(Cc4c(O)cccc4OC)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77808726
7268,COc1cc2c(cc1O)CCN1Cc3c(cccc3CN3CCN(c4ccccc4OC)CC3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7870948
7269,COc1cc2c(cc1OC)C1Cc3cccc(C=NOCc4ccc(C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59673476
7270,COc1cc2c(cc1OC)C1Cc3cccc(COc4cccc(C)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74762493
7271,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(Cc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60848266
7272,COc1ccc(COc2cc3c(cc2OC)CCN2Cc4c(cccc4-c4ccccc4)CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6085002
7273,COc1ccc(OCCCCNC(=O)c2ccc(F)cc2)cc1S(=O)(=O)c1ccccc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.04076821
7274,COc1ccc(OCCCNS(=O)(=O)c2ccc(F)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.09807754
7275,COc1ccc(OCCN(C)C)cc1-c1ccc(C(=O)C2CCCCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06730404
7276,COc1ccc(OCCN2CCC(Cc3ccc(F)cc3)CC2)cc1[SH]=O,[*]CCOc1ccc(O[*])c([*])c1,0.6429859
7277,COc1ccc(OCCN2CCC(NS(=O)(=O)c3ccc(CC(F)(F)F)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.54724926
7278,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(Oc2ccccc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.17153311
7279,COc1ccc(OCCNCCc2cccc3nc(C)ccc23)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13253264
7280,COc1ccc(OCCOC=O)cc1N1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.24725907
7281,COc1ccc(OCCS(N)(=O)=O)cc1Cc1cccs1,[*]CCOc1ccc(O[*])c([*])c1,0.04553865
7282,COc1ccc(OCCS(N)(=O)=O)cc1N1CCC(CC(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24100833
7283,COc1ccc2ccc(CC3CCN(Oc4ccc(OCCF)cc4C)CC3)cc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.25579903
7284,COc1cccc(CN2CCN(CCCC3OCS(=O)(=O)c4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.52721095
7285,COc1cccc(CN2CCN(CCCCc3cc(-c4ccccc4)no3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.71688193
7286,COc1cccc2c1CN1CCc3cc(-c4cc(CO)c[nH]4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7263208
7287,COc1ccccc1N1CCN(CCN2CCC(Oc3ccc(-c4ccccn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.767529
7288,COc1ccccc1N1CCN(CCN2CCC(c3ccc4ccc(O)cc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77497274
7289,COc1ccccc1N1CCN(CCN2CCC(c3cnc(-c4ccc(F)cc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82583904
7290,COc1ccccc1N1CCN(COc2ccc(OCCCn3ccc(F)n3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.68793726
7291,CS(=O)(=O)Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6399301
7292,CS(=O)(=O)NCCOc1ccc(OF)c(CN2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34441522
7293,CSOc1ccc(OCCN2CCCC(Oc3ccc4ccccc4c3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.47060296
7294,CSOc1ccc(OCCN2CCCC(c3ccccc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5519874
7295,Cc1cc(OCCN2CCC(Cc3ccccc3F)CC2)ccc1OS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5355932
7296,Cc1cc(OCCN2CCC(S(=O)(=O)c3cccc(C(F)F)c3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.64541686
7297,Cc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3cccs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67715985
7298,Cc1ccccc1N1CCN(CCN2CCC([SH](O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.60758054
7299,ClC1CCN(CCN2CCN(c3ccccc3-n3ccc(-c4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7981913
7300,Clc1ccccc1N1CCN(CCN2CCC(n3ccc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8050661
7301,FCCCN1CCN(Cc2cccc(-c3ccc4ccsc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5526795
7302,O=C1CCc2ccc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)cc2N1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7672307
7303,Oc1cccc2c1CN1CCc3cc(-c4ccc(Br)cc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7280329
7304,Oc1cccc2c1CN1CCc3cc(-c4ccncc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6541203
7305,Oc1cccc2c1CN1CCc3cc(CCOC(F)(F)F)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7280229
7306,Oc1ccccc1SCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6434661
7307,CC(=O)N1CCN(CCOc2ccc(OS(=O)(=O)O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.16749078
7308,CC(=O)Oc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57019114
7309,CC(C)c1ccccc1N1CCN(CCN2CCC(c3cccc(-c4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79795897
7310,CC(C)c1ccccc1N1CCN(CCN2CCC(n3cccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7039995
7311,CCCOc1ccc(OCN)c(N2CCN(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34149346
7312,CCCOc1ccc(OCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.61974734
7313,CCCOc1ccc(ONc2ccccc2OCC(C)C)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.080821835
7314,CCCOc1ccc(OS(=O)c2ccc(S(C)(=O)=O)cc2)c(NCC2CCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10117254
7315,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3ccc(SCC(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24076918
7316,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(CCc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31709662
7317,CCCOc1ccc(OSC)c(NC2CCCC2COCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1469203
7318,CCOOc1ccc(OCCCN2CCC(Oc3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6191225
7319,CCOc1ccccc1N1CCN(CCN2CCC(c3cc4ccccc4o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.813098
7320,CCc1ccc(OC2CCN(CCOc3ccc(OC)c(S(C)(=O)=O)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.48506036
7321,CNc1cccc(Cc2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6156292
7322,COC(=O)C1Cc2ccccc2N1CCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7152989
7323,COC1CCN(CCN2CCN(c3ccccc3-c3nc(O)c(C)c4ccc(O)cc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.54497033
7324,COCCCN1CCN(Cc2cccc(-n3c(=O)ccc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5629481
7325,COCCOc1ccc(OC)c(N2CCC(Nc3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29209462
7326,COCCOc1ccc(ON2CCC(C(=O)c3ccc(F)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16661268
7327,COc1cc2c(cc1O)CCN1Cc3c(CCC#N)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8008392
7328,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc4[nH]ccc4c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66862047
7329,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCCN(C)C)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7766066
7330,COc1ccc(-c2cn(C3CCN(CCN4CCN(c5ccccc5OC)CC4)CC3)cn2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8632261
7331,COc1ccc(C(=O)NCCN2CCN(NC(C)=O)CC2)cc1-c1cccc(Cl)c1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.23168986
7332,COc1ccc(C(=O)NCCN2CCN(O)CC2)cc1-c1ccccc1OCc1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33147362
7333,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccccc1-c1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.38259742
7334,COc1ccc(OCCC(=O)Cc2ccc3c(c2)CCCC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10426356
7335,COc1ccc(OCCC(C)=O)cc1CN1CCC(c2ccccc2F)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.45369792
7336,COc1ccc(OCCCNC(=O)c2cccs2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.060516864
7337,COc1ccc(OCCN2CCC(O)(c3ccccc3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.506044
7338,COc1ccc(OCCN2CCC(Oc3ccccc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.74510676
7339,COc1ccc(OCCN2CCC(c3ccc(OS(C)(=O)=O)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5871795
7340,COc1ccc(OCCN2CCCC(c3ccccc3)C2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.48924837
7341,COc1ccc(OCCNS(C)(=O)=O)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.084439784
7342,COc1ccc(OCCNS(C)(=O)=O)cc1N(C)CCc1ccc(S(C)(=O)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.11402112
7343,COc1cccc(CN2CCN(CCCC(=O)c3cccc(-c4cccs4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53334314
7344,COc1cccc(CN2CCN(CCCCNc3cccs3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59788686
7345,COc1cccc2c1CN1CCc3cc(CN(C)C)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73825145
7346,COc1ccccc1-c1cc(C(=O)NCCN2CCN([O-])CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32464316
7347,COc1ccccc1N1CCN(CCN2CCC(c3ccc(S)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87889504
7348,CSOc1ccc(OCCNCC2C(=O)CCc3ccc(CC(C)=O)cc32)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.11328292
7349,Cc1cc(OCCF)ccc1ON1CCC(S(=O)(=O)c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25700587
7350,Cc1cc(OCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.7149735
7351,Cc1ccc(COc2cc3c(cc2C)CCN2Cc4c(O)cccc4CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6124179
7352,ClC1CCN(CCN2CCN(c3ccccc3-n3ccc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7085899
7353,N#Cc1ccc(S(=O)(=O)Nc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4929159
7354,O=C(Cc1cccc(CN2CCN(CCCCl)CC2)c1)Nc1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3099003
7355,O=C(NCc1cccc(CN2CCN(CCCCl)CC2)c1)c1cccc2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4580845
7356,O=C(NCc1cccc(CN2CCN(CCCCl)CC2)c1)c1cccs1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49423656
7357,O=C(Nc1cccc(CN2CCN(CCCCl)CC2)c1)c1cccc2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.39663804
7358,O=C(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1cccc(F)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.46977016
7359,O=C1COC(CCCN2CCN(Cc3cccc(Cl)c3)CC2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6018049
7360,O=C1c2ccccc2S(=O)(=O)N1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69608635
7361,O=S(=O)(Nc1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1)c1ccc(F)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.43896532
7362,O=S1(=O)Cc2ccccc2N1CCCCN1CCN(Cc2cccc([O-])c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7096178
7363,O=c1c2ccccc2n(-c2cccc(CN3CCN(CCCCl)CC3)c2)c(=O)n1-c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56469005
7364,OC1CCN(CCN2CCN(c3ccccc3COc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70425355
7365,Oc1ccc2ccc(CC3CCN(CCN4CCN(c5ccccc5C(F)(F)F)CC4)CC3)cc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7319386
7366,Oc1cccc2c1CN1CCc3cc(C=CNOCc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58433396
7367,CC(=O)Cc1ccc(SNOc2ccc(OCCNS(C)(=O)=O)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.021831615
7368,CCCCNC(=O)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5428769
7369,CCCN(C)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7543809
7370,CCCOc1ccc(OCN2CCN(c3ccccc3OCC)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7219467
7371,CCCOc1ccc(ON2CCN(c3ccccc3OC)CC2)c(-c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38119933
7372,CCCOc1ccc(ONCc2ccccc2)c(NS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09274742
7373,CCCOc1ccc(OOC(C)C(=O)Nc2ccc(F)cc2)c(NC(=O)Cc2ccc(OC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.011768328
7374,CCCOc1ccc(OOC)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13861111
7375,CCCOc1ccc(OS(C)(=O)=O)c(CCF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09643606
7376,CCCOc1ccc(OS(C)(=O)=O)c(CCN2CCC(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.75799936
7377,CCOC1CCN(CCN2CCN(c3ccccc3-c3nc(-c4ccc(O)cc4)cs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.56531036
7378,CCOc1ccccc1N1CCN(CCN2CCC(C(=O)NCc3ccccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76895124
7379,CCOc1ccccc1N1CCN(CCN2CCC(CNS(=O)(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72619396
7380,CCc1ccc(C2CCN(Oc3ccc(OCCN=S(C)(=O)O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.14936544
7381,CN1CCN(CCNC(=O)c2ccc(Br)c(-c3ccc([N+](=O)[O-])cc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.16455442
7382,CNCCOc1ccc(ONCc2ccccc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12210922
7383,CNOc1ccc(OCCN2CCC(O)(c3ccc(Cl)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.37924033
7384,CNc1cccc(CC2CCN(CCOc3ccc(OSC)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.56638515
7385,COC(=O)c1cc(OCCN2CCCC(c3ccc(F)cc3)C2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.35065117
7386,COCCCN1CCN(Cc2cccc(C(=O)c3nc4ccccc4s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49579418
7387,COCCOc1ccc(OC)c(N2CCC(c3cccc(C(F)(F)F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3470463
7388,CON1CCN(CCNC(=O)c2ccc(-c3ccc(C)cc3)c(S(C)(=O)=O)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.14404973
7389,COOc1ccc(OCCCN2CCN(c3ccccc3C(C)=O)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.72444546
7390,COc1cc2c(cc1O)C1Cc3cccc(C(=O)[N+](C)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5560255
7391,COc1cc2c(cc1O)C1Cc3cccc(C4CCCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72790325
7392,COc1cc2c(cc1O)C1Cc3cccc(C[N+](=O)c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5265854
7393,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.766316
7394,COc1ccc(CNc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53740036
7395,COc1ccc(OCCCN2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6326773
7396,COc1ccc(OCCF)cc1CN1CCCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.81321
7397,COc1ccc(OCCN2CCC(C(=O)Cc3ccc(F)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.51366115
7398,COc1ccc(OCCN2CCCC(CCc3ccc(F)cc3)C2)cc1CO,[*]CCOc1ccc(O[*])c([*])c1,0.5171462
7399,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(Oc2ccc(C(C)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.15888818
7400,COc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1CN1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.14746924
7401,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1N=S(C)(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.020577902
7402,COc1ccc(OCCNCCc2ccc3c(c2)OC(=O)CC3)cc1C(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.11862644
7403,COc1cccc(C(=O)c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7345163
7404,COc1cccc(CN2CCN(CCCNC34CN=C3c3ccccc3NC4=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.499218
7405,COc1cccc(COc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70698065
7406,COc1cccc2c1CCS(=O)(=O)N2c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5725616
7407,COc1cccc2c1CN1CCc3cc(O[N+](=O)Cc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62647605
7408,COc1ccccc1N1CCN(CCCOc2ccc(ONC(=O)Cc3ccccc3)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.75802684
7409,COc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3ccc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73488396
7410,COc1ccccc1N1CCN(CCN2CCC(c3cccc(-c4cccc(N)n4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.88394517
7411,COc1ccccc1N1CCN(CCN2CCC(n3c(O)cc4cc(C(N)=O)ccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7663876
7412,COc1ccccc1N1CCN(CCNC(=O)c2ccc(S(C)(=O)=O)c(C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.82223046
7413,COc1ccccc1N1CCN(Oc2ccc(OCCNC(=O)c3ccc(C)s3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24155547
7414,Cc1cc(OCCCN2CCC(Cc3ccccc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.59538037
7415,Cc1cc(OCCCNCCC2CCCc3cccc(C)c3O2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.27980077
7416,Cc1cc(OCCN2CCCC2)ccc1ONS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.2827057
7417,Cc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccccc3C)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5302245
7418,Cc1ccccc1CC1CCN(CCOc2ccc(ONS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.62417024
7419,ClCCCN1CCN(Cc2cccc(-c3cnc(-c4ccccc4)o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5669205
7420,N#Cc1ccccc1NC(=O)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3375992
7421,O=C(c1cccc(-c2cccc(CN3CCN(CCCF)CC3)c2)c1)N1Cc2ccccc2C1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61081564
7422,O=C(c1cccc(CN2CCN(CCCOC(F)(F)F)CC2)c1)c1cc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51971763
7423,O=S1(=O)c2ccccc2S(=O)(=O)N1c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6484122
7424,O=[N+]([O-])c1ccccc1Cc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5157335
7425,Oc1cccc2c1CN1CCc3cc(-c4c(F)cccc4Br)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6896188
7426,C#Cc1cc2c(cc1Br)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.747242
7427,C=Cc1c(C2CCN(c3cc(OCCNS(C)(=O)=O)ccc3OC)CC2)ccc2ccc(OC(F)(F)F)cc12,[*]CCOc1ccc(O[*])c([*])c1,0.27138004
7428,CC1CCN(CCN2CCN(c3ccccc3NCC3CCc4ccc(O)cc4O3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4959418
7429,CCCCC1=CC=COC(c2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)=C1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53281903
7430,CCCCc1ccc(F)cc1Oc1cc(OCCC)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.12128757
7431,CCCOc1ccc(OC=CCOc2ccccc2)c(N(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20654486
7432,CCCOc1ccc(OCCc2cccc(OC)c2)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.78165585
7433,CCCOc1ccc(OCN)c(N2CCN(c3ccccc3OCCF)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.44632125
7434,CCCOc1ccc(ON2CCC(Nc3ccccc3Cl)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27877793
7435,CCCOc1ccc(ON2CCN(C(=O)OCC)CC2)c(-c2cccc(F)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06134956
7436,CCCOc1ccc(ONS(C)(=O)=O)c(C(=O)COc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.081805855
7437,CCCOc1ccc(OOC)c(CCCc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27591673
7438,COCCCN1CCN(Cc2cccc(-n3cc(-c4ccccc4)oc3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54001784
7439,COCCOc1ccc(OC)c(N2CCCC2CCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3513574
7440,COCCOc1ccc(OC)c(N2CCN(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7528859
7441,COCCOc1ccc(OC)c(NC(=O)c2cccc(OC)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.017300641
7442,CON1CCN(CCNC(=O)c2ccc(C)c(-c3ccccc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.34149152
7443,COc1c(C(=O)Nc2cccc(CN3CCN(CCCCl)CC3)c2)ccc2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.33681515
7444,COc1cc(F)ccc1CC1CCN(Oc2ccc(OCCNS(C)(=O)=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2647192
7445,COc1cc2c(cc1-c1ccccc1N(C)C)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7654793
7446,COc1cc2c(cc1O)C1Cc3cccc(C=NOCc4ccccc4Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6891795
7447,COc1ccc(C(=O)NCCOc2ccc(ON3CCN(C)CC3)c(C)c2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.09181062
7448,COc1ccc(OC)c(-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75836384
7449,COc1ccc(OCCC(N)=O)cc1N1CCN(C(C)Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.17915782
7450,COc1ccc(OCCC(O)COc2ccc3c(c2)NC(=O)CC3)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.16311571
7451,COc1ccc(OCCN2CCC(c3ccc(F)cc3)CC2)cc1CS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.80292636
7452,COc1ccc(OCCN2CCCC(CC3=CC=C4C=CC=CC=C4O3)C2)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.24829209
7453,COc1ccc(OCCOS(C)(=O)=O)cc1N1CCC(c2ccc(OCC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25849867
7454,COc1ccc(OCCS(C)(=O)=O)cc1N1C2CCC1C(Cc1ccccc1)C2,[*]CCOc1ccc(O[*])c([*])c1,0.19051696
7455,COc1ccc(OCCS(C)(=O)=O)cc1NCCc1ccsc1,[*]CCOc1ccc(O[*])c([*])c1,0.06081288
7456,COc1cccc(CN2CCN(CCCc3ccc4cccccc3-4)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68785655
7457,COc1cccc(CNC2CCN(CCOc3ccc(OC)c(S(C)(=O)=O)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5890508
7458,COc1cccc(Cc2cccc(CN3CCN(CCCCl)CC3)c2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6493408
7459,COc1cccc2c1CN1CCc3cc(O)c(OC(=O)Nc4ccc(C)cc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.2746023
7460,COc1ccccc1-c1cc2c(cc1C)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.592344
7461,COc1ccccc1N1CCCN(c2cc(OCCCN)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.26738977
7462,COc1ccccc1N1CCN(CCN2CCC(NC(=O)OC(C)(C)C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8947462
7463,COc1ccccc1N1CCN(CCN2CCC(c3cc(F)ccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84445006
7464,CS(=O)(=O)NOc1ccc(OCCF)cc1CN1CCC(Cc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5107221
7465,CSOc1ccc(OCCN2C=C3NC(=O)CCSC3=CC=C3CCC(CC2)C3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.23195027
7466,CSOc1ccc(OCCN2CCC(Cc3ccc4ccccc4n3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.52785444
7467,CSc1ccc(N2CCN(COc3ccc(OCCF)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.5006545
7468,Cc1cc(OCCN2CCC(Cc3ccc4ccc(F)cc4n3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.46150103
7469,Cc1cc(OCCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)ccc1OS(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.69931835
7470,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)CCCC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.039402418
7471,Cc1cc2c(cc1Br)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71211696
7472,Cc1cccc(CN2CCN(CCCS(=O)(=O)c3cccs3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5447075
7473,ClCCCN1CCN(Cc2cccc(C3CCCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7023332
7474,FCCCN1CCN(Cc2cccc(Cn3ccc(-c4ccccc4)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6709427
7475,Fc1ccc(-c2ccc(C3CCN(CCN4CCN(c5ccccc5Cl)CC4)CC3)cn2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8786956
7476,N#Cc1cccc(-c2cccc3c2CN2CCc4cc(O)c(Cl)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6142043
7477,O=C(O)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49468285
7478,O=C1N(CCCN2CCN(Cc3cccc(Cl)c3)CC2)c2ccccc2S1(=O)=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6797157
7479,Oc1cc(-c2ccccc2)nn1C1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7094538
7480,Oc1cc2c(cc1C#Cc1ccccc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6933619
7481,Oc1nc2cc(F)ccc2n1C1CCN(CCN2CCN(c3ccccc3OC(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78649765
7482,C=CNc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5794298
7483,C=S(O)Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64323616
7484,CC(=O)N1Cc2ccccc2C1C(=O)CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61318445
7485,CC(=O)NOc1ccc(OCCN2CCN(c3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.62493265
7486,CC(=O)c1ccc(SCCCCOc2ccc(OS(=O)(=O)N(C)C)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.033564825
7487,CC1CCN(CCN2CCN(c3ccccc3Cc3cnc(-c4ccccc4)o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75123745
7488,CCCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31973657
7489,CCCNOc1ccc(OCCC)cc1CNc1ccc(OC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.048735928
7490,CCCOc1ccc(OC(=O)NC)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.54045916
7491,CCCOc1ccc(OC(=O)NS(C)(=O)=O)c(N2CCC(Oc3ccc(CC(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14887331
7492,CCCOc1ccc(OCN2CCN(C(=O)C=O)CC2)c(-c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13254963
7493,CCCOc1ccc(OF)c(N=CN2CCc3cc(OC)c(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.49678242
7494,CCCOc1ccc(ON2CCC(S(=O)(=O)c3ccccc3)CC2)c(C(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1619647
7495,CCCOc1ccc(ON2CCC(c3ccccc3OCC)CC2)c(CS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39208418
7496,CCCOc1ccc(ONS(C)(=O)=O)c(CCCc2cccc3c2ncc(=O)n3C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09062981
7497,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(Cc3ccc(F)cc3)C(=O)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24644896
7498,CCCOc1ccc(OOS(C)(=O)=O)c(CN2CCC(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5688307
7499,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(Cc3ccc(OC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28782445
7500,CCCSc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6574671
7501,CCCc1ccc(COc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7855212
7502,CCOc1ccc(S(=O)(=O)c2cc(OCCF)ccc2OC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.037303597
7503,CCOc1ccccc1CN1CCN(CCOc2ccc(OC)c(OS(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5152915
7504,CCOc1ccccc1N1CCN(CCN2CCC(n3nc(-c4ccccc4)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7413967
7505,CCc1cc2c(cc1-c1cccc(CO)c1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.576859
7506,CNOc1ccc(OCCN2CCC(Cc3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.52711016
7507,COCCCN1CCN(Cc2cccc(-c3coc(C=Cc4ccccc4)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.659152
7508,COCCOc1ccc(OC)c(CN2CCC(c3ccccc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.60057026
7509,COCCOc1ccc(OCN2CCC(c3ccc(F)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.48341966
7510,COc1cc(C(=O)NCCN2CCN([O-])CC2)ccc1-c1ccco1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.20099542
7511,COc1cc2c(cc1COC1CCCCC1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71965575
7512,COc1cc2c(cc1Cl)C1Cc3cccc(Cc4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62089866
7513,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccccn4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6612042
7514,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccc[s+]1[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30263808
7515,COc1ccc(C(F)c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7127588
7516,COc1ccc(OCCC(=O)CCc2ccccc2SC)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.041029036
7517,COc1ccc(OCCCN2CCN(C=O)CC2)cc1-c1ccccc1F,[*]CCOc1ccc(O[*])c([*])c1,0.65664774
7518,COc1ccc(OCCN)cc1N1CCC(C(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27248693
7519,COc1ccc(OCCN2CCC(F)(c3ccccc3C(C)=O)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.35574016
7520,COc1ccc(OCCN2CCC(Oc3ccc(C(N)=O)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.44342378
7521,COc1ccc(OCCN2CCN(C(=O)c3ccccc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.20690958
7522,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1NC(=O)C1CCNC1,[*]CCOc1ccc(O[*])c([*])c1,0.05196021
7523,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1NS(=O)(=O)c1ccccc1C1CCCN1,[*]CCOc1ccc(O[*])c([*])c1,0.08453955
7524,COc1ccc(OCCNS(=O)(=O)c2ccccc2C(C)C)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.093804955
7525,COc1ccc(OCCNS(C)(=O)=O)cc1-c1cc2c(cc1CC1CCCCC1)CCC(=O)N2,[*]CCOc1ccc(O[*])c([*])c1,0.22233085
7526,COc1ccc(OCCOC(C)=O)cc1N1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20266743
7527,COc1ccc2c(c1)CC(CNCCOc1ccc(OC)c(S(C)(=O)=O)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.31505382
7528,COc1cccc(CN2CCN(CCCC3CCCC3c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5887562
7529,COc1cccc(CN2CCN(CCCCN(C(=O)c3ccccc3)C3CCCC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.47596937
7530,COc1cccc(CN2CCN(CCCCn3cc(C)c(=O)sc3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.45105773
7531,Cc1cc(OCCC(=O)COc2ccc(C(C)C)cc2)ccc1ON1CCNC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.08305124
7532,Cc1cc(OCCN(C)C)ccc1OCCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.19939592
7533,Cc1cc(OCCNS(=O)(=O)C2CCCC2)ccc1ON1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.198947
7534,Cc1ccccc1N1CCN(CCN2CCC(Cn3cc(F)cnc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.59476376
7535,O=C(NC1CCN(CCN2CCN(c3ccccc3O)CC2)CC1)c1ccccc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77649057
7536,O=C(Nc1cccc2ccccc12)Oc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.33362332
7537,O=C1c2ccccc2NC1CCCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63719904
7538,O=Cc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60877514
7539,O=c1c2ccccc2ncn1C1CCN(CCN2CCN(c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70297265
7540,Oc1cc2c(cc1C=CCNC1CCCC1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47087246
7541,Oc1nc2ccccc2n1C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.785478
7542,CC(C)Oc1ccccc1N1CCN(CCN2CCC(Cc3ccc(O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7377576
7543,CCCCN1CCN(Cc2cccc(C3Nc4ccccc4C(=O)N3c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4855323
7544,CCCNc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63443244
7545,CCCOc1ccc(OF)c(N2CCC(c3ccco3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27276057
7546,CCCOc1ccc(OF)c(NC(=O)COc2ccccc2N2CCNCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21857622
7547,CCCOc1ccc(ON2CCC(CCc3ccccc3)CC2)c(OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30861664
7548,CCCOc1ccc(ON2CCN(c3ccc(F)cc3)CC2)c(C(=O)OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10929304
7549,CCCOc1ccc(ONC(C)=O)c(CN2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40342453
7550,CCCOc1ccc(ONC(C)=O)c(CN2CCC(c3ccccc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3429566
7551,CCCOc1ccc(ONC=O)c(Cc2ccc(Cl)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09165533
7552,CCCOc1ccc(OS(C)(=O)=O)c(-c2cc(C3CCN(Cc4ccc(F)cc4)CC3)no2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5383508
7553,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Oc3ccc4ccc(OC)cc4c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30722213
7554,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(CCc3ccc4c(c3)NC(=O)CC4)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32076466
7555,CCCOc1ccc(OSC)c(NC2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4200558
7556,CCOCCc1cc(OCCF)ccc1ON1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.342338
7557,CCc1cc2c(cc1OC)C1Cc3cccc(Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68980616
7558,CCc1ccccc1C1CCCN(Oc2ccc(OCCS(C)(=O)=O)cc2C)C1,[*]CCOc1ccc(O[*])c([*])c1,0.274438
7559,CNc1cc2c(cc1O)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6325676
7560,COC1CCN(CCN2CCN(c3ccccc3-c3cccc(-c4ccc(O)cc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7308072
7561,COCCCN1CCN(Cc2cccc(C(=O)Nc3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.314808
7562,COOc1ccc(OCCCOc2ccc(F)cc2)cc1CNC(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.03802972
7563,COc1cc2c(cc1C(=O)NCc1ccc(C#N)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5405443
7564,COc1cc2c(cc1C(F)(F)Oc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5030652
7565,COc1cc2c(cc1OC)C1Cc3cccc(NC(=O)NCCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.2646274
7566,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1cccc(C#N)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31695437
7567,COc1ccc(C(=O)NCCN2CCN(c3ccccc3CO)CC2)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.7105389
7568,COc1ccc(CCOc2ccc(ON=S(N)(=O)Cc3ccccc3)c(C)c2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0674843
7569,COc1ccc(Cc2cc3c(cc2OC)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7329142
7570,COc1ccc(OCCCc2cc(C)no2)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1,[*]CCOc1ccc(O[*])c([*])c1,0.053147614
7571,COc1ccc(OCCF)cc1CNCCc1ccc(S(C)(=O)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.050367426
7572,COc1ccc(OCCF)cc1S(=O)(=O)N(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.081664115
7573,COc1ccc(OCCN2CCC(Cc3ccc(F)cc3)CC2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5879159
7574,COc1ccc(OCCN2CCC(OC(=O)c3ccc(F)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5594645
7575,COc1ccc(OCCNS(=O)(=O)c2ccccc2CC(C)C)cc1CC1CCCCO1,[*]CCOc1ccc(O[*])c([*])c1,0.12737674
7576,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCCC(Cc2ccc(OC3CCCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18192273
7577,COc1ccc(OCCOC(C)=O)cc1N1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.18700534
7578,COc1ccc(OCCc2cc3ccccc3n2Cc2ccc(Cl)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.12243785
7579,COc1ccc2[nH]cc(Cc3cccc4c3CN3CCc5cc(O)c(OC)cc5C3C4)c2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7531841
7580,COc1ccc2ccc(O)c(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)c2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66035765
7581,COc1cccc(CN2CCN(CCCC(=O)c3ccc4cccc-4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4820774
7582,COc1cccc(CN2CCN(CCCC3Cc4cc(OC)ccc4C(=O)N3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62797886
7583,COc1cccc(CN2CCN(CCCc3cccc(NC(=O)C4CCCCC4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.30457428
7584,COc1cccc2c1CN1CCc3cc(NC(=O)N(C)C)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3845526
7585,COc1cccc2c1CN1CCc3cc(Oc4cccc(C#N)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70840275
7586,COc1ccccc1-c1cc(C(=O)NCCN2CCN([N+](=O)[O-])CC2)ccc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31835118
7587,COc1ccccc1Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.50702
7588,Cc1cc(OCCCN2CCC(CCc3ccc(F)cc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.59103113
7589,Cc1cc(OCCF)ccc1OC(=O)CCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.10193984
7590,Cc1cc(OCCN2CCC(Cc3ccc4ccccc4n3)CC2)ccc1OOS,[*]CCOc1ccc(O[*])c([*])c1,0.55754626
7591,Cc1cc(OCCN2CCC(Oc3ccc(CC4CCCCN4)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.51344055
7592,Cc1cc(OCCN2CCC(c3cc4ccc(C#N)cc4o3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.55027825
7593,Cc1cc(OCCN=S(C)(=O)O)ccc1ONCc1cccs1,[*]CCOc1ccc(O[*])c([*])c1,0.040119633
7594,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)NC(=O)CC3)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.054549605
7595,Cc1cc(OCCNCC(=O)c2cc3ccccc3s2)ccc1ON(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09214467
7596,Cc1cc(OCCNCCc2cc3ccccc3o2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.17686272
7597,Cc1cccc(CN2CCN(CCCC(=O)N3c4ccccc4OC3C)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5192389
7598,ClC1CCN(CCN2CCN(c3ccccc3Oc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8967632
7599,O=C1C=C(c2ccccc2)C(=O)N1Cc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57319933
7600,OC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccc(Cl)cc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7711936
7601,C=CC1Cc2ccccc2N1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6688235
7602,CC1(C)c2ccccc2C(c2cccc(CN3CCN(CCCCl)CC3)c2)N1C(=O)O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54295486
7603,CC1CCN(CCN2CCN(c3ccccc3-c3ccc(F)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7916462
7604,CCCCN1CCC(c2ccc(-c3cc(OCCC)ccc3OS(C)(=O)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6309648
7605,CCCOc1ccc(OC)c(CN2CCN(C(=O)C=Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16757509
7606,CCCOc1ccc(OCN2C=CN(C(C)=O)CC2)c(-c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17345981
7607,CCCOc1ccc(ON2CCCN(c3ccccc3OC)CC2)c(C(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16037527
7608,CCCOc1ccc(ONCCc2cccs2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.085468225
7609,CCCOc1ccc(OOC)c(CCOc2ccccc2C(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16256739
7610,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(Oc3ccc(CC(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2887308
7611,CCCc1cc2c(cc1Cc1ccc(OC)c3ccccc13)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5904701
7612,CCOc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cccc(OC)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80294824
7613,CCc1cccc2c1CN1CCc3cc(C(=O)Nc4ccccc4)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39347485
7614,CNOc1ccc(OCCOC(=O)CCc2ccc3c(c2)CC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.06659069
7615,COC1CCN(CCN2CCN(c3ccccc3-c3ccccc3-c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70491225
7616,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3ccc4c(c3)NC(=O)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71695006
7617,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc(N(C)C)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8848193
7618,COCCCN1CCN(Cc2cccc(-c3ccc(N4CCNC4=O)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.52780646
7619,COCCCN1CCN(Cc2cccc(CNS(=O)(=O)c3ccc4sccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.39634836
7620,COCCOc1ccc(OCF)c(CC2CCCCN2c2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2919841
7621,COOc1ccc(OCCc2ccc(F)cc2)cc1CN1CCC(CCc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.63967794
7622,COc1cc2c(cc1-c1ccc(CO)c(F)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76394814
7623,COc1cc2c(cc1O)C1Cc3cccc(-c4cc(C#N)ccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70587075
7624,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc5ccc(C#N)cc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5775062
7625,COc1cc2c(cc1O)C1Cc3cccc(CN(C)OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7267977
7626,COc1cc2c(cc1OC)C1Cc3cccc(CCc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7873141
7627,COc1cc2c(cc1OCc1ccc(C(=O)N(C)C)cc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41755775
7628,COc1ccc(COc2cc3c(cc2OC)CCN2Cc4c(C)cccc4CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64283466
7629,COc1ccc(OCCC(C)=O)cc1C(=O)C1CCN(Cc2ccc(Cl)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.47317487
7630,COc1ccc(OCCN2CCC(Oc3ccc4c(c3)NC(=O)CCC4)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.66996235
7631,COc1ccc(OCCN2CCCC(Cc3cccs3)C2)cc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.52645737
7632,COc1ccc(OCCN2CCCCC2)cc1S(=O)(=O)Nc1c(Cl)cccc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.33436796
7633,COc1ccc(OCCNC(=O)c2ccccc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.0332901
7634,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(Cc2ccc(OC3CCCCC3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.21004377
7635,COc1ccc(OCCS(C)(=O)=O)cc1OC1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.14384255
7636,COc1ccc(OCC[SH](C)(N)=O)cc1N1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3005735
7637,COc1cccc(CCCCOc2ccc(OC)c(CN3CCN(c4ccccc4OC)CC3)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.822272
7638,COc1cccc(NC(=O)c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41291606
7639,COc1cccc2c1CN1CCc3cc(C)c(-c4ccccn4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6355224
7640,COc1ccccc1C1=CC(=O)N(c2cccc(CN3CCN(CCCCl)CC3)c2)C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54508245
7641,COc1ccccc1C1CCN(c2cc(OCCNC=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.34922642
7642,COc1ccccc1N1CCN(CCN2CCC(CNC(=O)NCc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7399432
7643,COc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3cccc(C)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76787406
7644,COc1ccccc1N1CCN(CCN2CCC(n3cc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8823363
7645,Cc1cc(OCCCN=S(C)(=O)O)ccc1ONC1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.10225986
7646,Cc1cc(OCCN2CC(=O)CC(Cc3ccc(F)cc3)C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.21792056
7647,Cc1cc(OCCN2CCN(Cc3ccccc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.49860948
7648,Cc1cc(OCCOS(C)(=O)=O)ccc1ON1CCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2126265
7649,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCN(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2645071
7650,Cc1cc2c(cc1O)C1Cc3cccc(C(=O)c4ccc5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41564634
7651,Cc1cccc2c1N(c1cccc(CN3CCN(CCCCl)CC3)c1)S(=O)(=O)C2,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6395373
7652,Cc1ccccc1N1CCN(CCN2CCC(CNc3nccc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66256756
7653,ClCCCN1CCN(Cc2cccc(C3CC3c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7266152
7654,O=C(Cc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1)Nc1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.28720164
7655,O=C1CCc2c(O)cccc2N1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6565912
7656,O=S1(=O)N=C(c2cccc(CN3CCN(CCCCl)CC3)c2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5903146
7657,OC1CCN(CCN2CCN(c3ccccc3-c3nccn3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6524611
7658,OCc1ccccc1-c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61878353
7659,Oc1cc2c(cc1-c1ccc3cc[nH]c3c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7304176
7660,Oc1cc2c(cc1CC(O)(F)F)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8134013
7661,C#Cc1cccc(Cc2cccc3c2CN2CCc4cc(Cl)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5843429
7662,C=S(C)(O)=NOc1ccc(OCCNCc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.29483005
7663,CC(=O)CN1CCN(CCOc2ccc(OS(C)(=O)=O)c(C)c2)C(=O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.20439409
7664,CCC1Cc2ccccc2N1C(=O)CCCN1CCN(Cc2cccc(OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59475577
7665,CCCN(CCOc1ccc(OC)c(S(C)(=O)=O)c1)C1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.7091978
7666,CCCOc1ccc(OC)c(CC(=O)Nc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.006843892
7667,CCCOc1ccc(ON2CCC(c3ccccc3)CC2)c(C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.350779
7668,CCCOc1ccc(ON2CCC(c3ccccc3OC)CC2)c(OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3975304
7669,CCCOc1ccc(ON2CCN(Cc3cccc(OC)c3)CC2)c(OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.47767332
7670,CCCOc1ccc(ON2CCN(c3ccccc3OCC(F)(F)F)CC2)c(NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17767015
7671,CCCOc1ccc(ONC)c(CN2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5870359
7672,CCCc1cccc(OC)c1NCCOc1ccc(OS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.112714805
7673,CCOCCCN1CCN(Cc2cccc(C(=O)N3Cc4ccccc4C3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.45798805
7674,CCOc1ccccc1N1CCN(Oc2ccc(OCCCl)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.38537934
7675,CNCCOc1ccc(OC)c(CNc2ccccc2OCCF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10846807
7676,COC(=O)Cc1cc(OCCC(=O)COc2ccc3c(c2)NC(=O)CC3)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.15789784
7677,COC(=O)c1ccc(C2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76303977
7678,COC1CCN(CCN2CCN(c3ccccc3C(O)c3ccc(O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7173916
7679,COC1CCN(CCN2CCN(c3ccccc3C3CCc4cc(C(=O)O)ccc4C3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6645514
7680,COCCCN1CCN(Cc2cccc(CN3C(=O)c4ccccc4CC3C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6429129
7681,COCCCN1CCN(Cc2cccc(Nc3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4845826
7682,COCCOc1ccc(OCCOc2ccccc2OC)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.108045824
7683,COCc1ccc(-c2cc3c(cc2OC)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66136014
7684,CON1CCN(CCNC(=O)c2ccc(-c3ccccc3)c([N+](=O)[O-])c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31153166
7685,COOc1ccc(OCCN2CCC(Cc3cccs3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.54311025
7686,COOc1ccc(OCCN2CCN(Cc3cccc(C(=O)N4CCCCC4)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.21877669
7687,COc1c(CC2CCN(CCOc3ccc(OSC)c(C)c3)CC2)ccc2ccccc12,[*]CCOc1ccc(O[*])c([*])c1,0.5937172
7688,COc1cc(F)ccc1CCOc1ccc(OCN2CCN(c3ccccc3OC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6111282
7689,COc1cc2c(cc1O)CCN1Cc3c(CNOc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6643194
7690,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(O)c3cc(CO)c4ccccc4c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73754954
7691,COc1cc2c(cc1O)CCN1Cc3c(cccc3Oc3cccc4ccccc34)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75361526
7692,COc1ccc(-c2ccccc2)c(-c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7473832
7693,COc1ccc(OCCC(=O)COc2ccc(F)cc2)cc1S(=O)(=O)N(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.04018328
7694,COc1ccc(OCCC(N)=O)cc1CCc1ccccc1OC1CCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.10435157
7695,COc1ccc(OCCCN=S(C)(=O)O)cc1CN1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.44761088
7696,COc1ccc(OCCN2CCC(Cc3ccc(F)cc3)CC2)cc1S(C)(=N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.55964136
7697,COc1ccc(OCCN2CCC(OC(=O)c3ccccc3)CC2)cc1C(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5461017
7698,COc1ccc(OCCN2CCN(c3ccccc3C(C)C)C(=O)C2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.42196012
7699,COc1ccc(OCCS(C)(=O)=O)cc1CCN1CCC(c2ccc(SC)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.72522
7700,COc1ccc(OCCS(C)(=O)=O)cc1Cc1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06970828
7701,COc1ccc(OCCSC)cc1CCOc1ccc2c(c1)NC(=O)C(C)C2,[*]CCOc1ccc(O[*])c([*])c1,0.26522678
7702,COc1cccc(CN2CCN(CCCNS(=O)(=O)c3cccc(C)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4286678
7703,COc1cccc2c1CN1CCc3cc(-c4ccccc4C=O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5876115
7704,COc1cccc2c1CN1CCc3cc(NC(=O)c4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34040952
7705,COc1ccccc1-c1cc(C(=O)NCCN2CCN(F)CC2)ccc1C=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3816258
7706,COc1ccccc1C(=O)NCCCOc1ccc(ON2CCCCC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11096971
7707,COc1ccccc1N1CCN(CCCOc2ccc(OC=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.9266516
7708,COc1ccccc1N1CCN(c2cc(OCCC(F)(F)F)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.36483517
7709,CSc1cc(C(=O)NCCOc2ccc(ON3CCN(C)CC3)c(C)c2)ccc1F,[*]CCOc1ccc(O[*])c([*])c1,0.15935777
7710,CSc1ccc(NC(=O)C2CCN(COc3ccc(OCCBr)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06970818
7711,Cc1cc(OCCN2CCC(Oc3ccc(CC4CCCNC4=O)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.51512486
7712,Cc1cc(OCCN=S(C)(=O)O)ccc1OOCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.14895968
7713,Cc1cc(OCCNCc2ccc(F)c(SC=O)c2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.12383161
7714,Cc1cc2c(cc1-c1cc3ccccc3[nH]1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6746056
7715,Cc1ccc(CC(=O)NCCOc2ccc(ON=S(C)(=O)O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.010426775
7716,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cc4ccccc4o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66806
7717,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(C#N)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66698
7718,Cc1ccccc1N1CCN(CCN2CCC(c3cc(O)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70400524
7719,N#CCc1ccc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7503856
7720,N#Cc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(F)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7704592
7721,O=[N+]([O-])Cc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48224068
7722,CC(=O)NOc1ccc(OCCN2CCN(c3ccnc(C(F)(F)F)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5137388
7723,CC1c2ccccc2C(=O)N1C(=O)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5637551
7724,CCCOc1ccc(OC)c(NS(=O)(=O)c2ccc(C(=O)NCC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.015934447
7725,CCCOc1ccc(ON)c(N2CCC(c3coc4ccc(F)cc34)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34844157
7726,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCN(Cc3cccs3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4295933
7727,CCCOc1ccc(ONCC2CCc3ccccc3C2)c([N+](=O)[O-])c1,[*]CCOc1ccc(O[*])c([*])c1,0.28425375
7728,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(c3ccc(CCC)cn3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2625448
7729,CCCOc1ccc(OS(C)(=O)=O)c(C(CF)Cc2ccc(C3CCCNC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2909309
7730,CCCOc1ccc(OS(N)(=O)=O)c(NCc2ccc(CCC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07296904
7731,CCCOc1ccc(OSC)c(N2CCCC(CCc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25997254
7732,CCCc1ccccc1OCCOc1ccc(OC)c(CNS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13446176
7733,CCOC1CCN(CCN2CCN(c3ccccc3-n3cc(O)nc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6831579
7734,CCc1cc(OCCc2ccc(F)cc2)ccc1ON1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28386495
7735,CCc1cc2c(cc1O)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6274158
7736,CCc1cccc(-c2cc3c(cc2OC)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73424006
7737,CCc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73226523
7738,COC(=O)c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.17387886
7739,COC1CCN(CCN2CCN(c3ccccc3-c3c(O)nc4ccccn34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70829076
7740,COC1CCN(CCN2CCN(c3ccccc3-n3ccc(-c4ccc(F)cc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6723012
7741,COC1CCN(CCN2CCN(c3ccccc3-n3ccc(C)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7522968
7742,COC1CCN(CCN2CCN(c3ccccc3CNCc3cc4ccccc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71523464
7743,COCCCN1CCN(Cc2cccc(C(=O)N=Cc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4609588
7744,COCCOc1ccc(OCN2CCN(C(F)c3ccc(F)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26594487
7745,COc1c(C(=O)Nc2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)ccc2ccccc12,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.44609874
7746,COc1cc(C(=O)NCCN2CCN(c3ccccc3SC)CC2)ccc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.8161075
7747,COc1cc2c(cc1O)C1Cc3cccc(-c4cccc(COC(=O)[O-])c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4518967
7748,COc1cc2c(cc1O)C1Cc3cccc(-c4cccc(OCSC)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54819185
7749,COc1cc2c(cc1O)C1Cc3cccc(Oc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8078352
7750,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55460876
7751,COc1ccc(OCCC(C)=O)cc1CCN1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6251287
7752,COc1ccc(OCCCN2CCC(Cc3ccccc3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.64108205
7753,COc1ccc(OCCN2CC(C)Cc3ccccc32)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.36998582
7754,COc1ccc(OCCN2CCC(Oc3ccc(Cl)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.6735484
7755,COc1ccc(OCCN2CCC(c3ccccc3)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.63060594
7756,COc1ccc(OCCN2CCCCC(c3ccc(OC4CCCC4=O)cc3)C2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.28934354
7757,COc1ccc(OCCN2CCN(CC3CCc4ccc(C(C)=O)cc4C3)C2=O)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.32896483
7758,COc1ccc(OCCSC)cc1NC(=O)COc1ccccc1CF,[*]CCOc1ccc(O[*])c([*])c1,0.013554261
7759,COc1ccc(OCCc2ccc(S(=O)(=O)C3CCCCC3)c(F)c2)cc1N(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.19505917
7760,COc1cccc2c1CN1CCc3cc(-c4ccc(OC)c5ccccc45)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71196973
7761,COc1ccccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1OCCF,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.36850616
7762,COc1ccccc1N1CCN(CCN2CCC(c3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8452351
7763,Cc1cc(OCCC(=O)COc2ccc(CF)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.013206995
7764,Cc1cc(OCCN2CCC(C3CCc4ccccc4C3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.40395218
7765,Cc1cc(OCCN2CCCC(COc3ccc(F)cc3)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.41774756
7766,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCCC1Cc1ccc2ccccc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.21322478
7767,Cc1ccc(-c2cc3c(cc2C)CCN2Cc4c(O)cccc4CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64705676
7768,O=C(CF)Oc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.532238
7769,O=C(Nc1cccc(CN2CCN(CCCCl)CC2)c1)C1(c2ccccc2)CCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3010868
7770,O=C(Nc1ccccc1)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.34838682
7771,O=C(c1cccc(CN2CCN(CCCCl)CC2)c1)N(Cc1ccccc1)C1CCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5186155
7772,O=C1CCc2ncc(Oc3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)cc2N1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7833205
7773,O=C1CNC(CCCN2CCN(Cc3cccc(Cl)c3)CC2)N1c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6165106
7774,O=S(=O)(c1ccc(F)cc1)c1ccccc1N1CCN(CCN2CCC(F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5937192
7775,O=c1cc(-c2ccccc2)on1Cc1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57314694
7776,Oc1cc2c(cc1-c1ccccc1)CCN1Cc3c(F)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7332288
7777,Oc1cc2c(cc1CCSc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5993502
7778,Oc1ccc2c(c1)NC(c1cccc(CN3CCN(CCCCl)CC3)c1)CC2,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68173873
7779,Oc1cnc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7154731
7780,CC(O)c1ccccc1N1CCN(CCN2CCC(CNC(=O)c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7492375
7781,CCCCCCOc1ccc(OC)c(CNCC2CCc3cc(OC)c(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.46347874
7782,CCCOc1ccc(OCCc2ccc(F)cc2)c(CCN=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09227611
7783,CCCOc1ccc(OCN2CCN(c3ccccc3OCCC)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7696563
7784,CCCOc1ccc(OF)c(N2CCCC(Cc3ccc(OC4CCCCC4)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20730092
7785,CCCOc1ccc(ONC(=O)Cc2ccccc2)c(N2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20684259
7786,CCCOc1ccc(ONS(C)(=O)=O)c(NCCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07811819
7787,CCOCCCN1CCN(Cc2cccc(NC(=O)c3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.34071803
7788,CCOCCc1cc(OCCC(N)=O)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.026025068
7789,CCOc1ccccc1N1CCN(CCN2CCC(CSc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.736699
7790,CCOc1ccccc1N1CCN(Oc2ccc(OCCNC)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31524283
7791,CCc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6634779
7792,CN1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(-c3ccccc3C#N)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30349368
7793,CNC(=O)c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5084394
7794,COOc1ccc(OCCCNc2ccccc2OCCF)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.090789266
7795,COOc1ccc(OCCN2CCCC(Cc3cccc(S(C)(=O)=O)c3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.40295076
7796,COc1c(Cl)cccc1-c1cc(C(=O)NCCN2CCN(F)CC2)ccc1F,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.34857863
7797,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccc5c(c4)NC(=O)CC5)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6084411
7798,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)NCc3cccc(C)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43732998
7799,COc1ccc(CC2CCCN(CCOc3ccc(OC)c(SC)c3)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.4679588
7800,COc1ccc(COc2cc3c(cc2OC)CCN2Cc4c(Cc5ccccc5)cccc4CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6709267
7801,COc1ccc(OCCC(=O)Cc2ccc(F)cc2)cc1CN1CCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5996199
7802,COc1ccc(OCCC(N)=O)cc1CCCc1cccc2c1CCC(=O)N2,[*]CCOc1ccc(O[*])c([*])c1,0.10049414
7803,COc1ccc(OCCC2CCCC(Cc3ccc(OC4CCNCC4)cc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.19668582
7804,COc1ccc(OCCF)cc1N1CCN(Cc2ccccc2S(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.646342
7805,COc1ccc(OCCN=S(C)(=O)O)cc1NCCc1cccc2nc(C)ccc12,[*]CCOc1ccc(O[*])c([*])c1,0.04055668
7806,COc1ccc(OCCS(C)(=O)=O)cc1C(C)Cc1ccc2c(c1)CCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.16157036
7807,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(c2cc(C(C)=O)ccc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.14355493
7808,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(c2ccc(CC3CCCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28605336
7809,COc1cccc(-c2cc(C(=O)NCCN3CCN([N+](=O)[O-])CC3)ccc2C)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.20852655
7810,COc1cccc(CN2CCN(CCCc3ccc(NS(=O)(=O)c4ccccc4)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.44701153
7811,COc1cccc2c1CN1CCc3cc(CC(=O)N(C)C)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5316112
7812,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(-c4cccc(F)n4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8355126
7813,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(-c4ccccc4)s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.90055704
7814,COc1ccccc1N1CCN(CCN2CCC(c3ccn(Cc4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7132447
7815,COc1cnc2cc(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)ccc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6390802
7816,Cc1cc(OCCF)ccc1ON1CCC(NS(=O)(=O)c2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.26873967
7817,Cc1cc(OCCF)ccc1ONC(=O)C1CCCCN1,[*]CCOc1ccc(O[*])c([*])c1,0.07479228
7818,Cc1cc(OCCN2CCC(CCc3ccc(F)cc3)CC2)ccc1ON=S(O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5923132
7819,Cc1cc(OCCN2CCC(Oc3ccccc3C=O)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5743385
7820,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(Cc2ccc(OC3CCCCS3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.13942824
7821,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)CC(=O)CC3)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.043617334
7822,Cc1cc(OCCNCc2ccc(OCCF)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.14890249
7823,Cc1cc(OCCNCc2cccs2)ccc1OC=[SH]O,[*]CCOc1ccc(O[*])c([*])c1,0.11360807
7824,Cc1cc(OCCNS(=O)(=O)Cc2ccc(F)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.06668948
7825,Cc1cccc(CN2CCN(CCCCN=C3C(=O)Nc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5914851
7826,Cc1cccc(OCC(=O)NCCOc2ccc(ON3CCCCC3)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04650707
7827,Cc1ccccc1N1CCN(CCN2CCC(CNC(=O)OC(C)(C)C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69154036
7828,Cc1ccccc1N1CCN(CCN2CCC(n3cc(F)cnc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66210645
7829,ClC1CCN(CCN2CCN(c3ccccc3-c3cc4ccccc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78108686
7830,Fc1ccccc1N1CCN(CCN2CCC(c3ccccc3-c3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6557966
7831,O=C(CSc1ccccc1)Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.21648939
7832,O=C(NCc1cccc([N+](=O)[O-])c1)c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.30584535
7833,O=C(Nc1ccccc1N1CCN(CCN2CCC(OC(F)(F)F)CC2)CC1)c1ccc(-c2cccs2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.47969633
7834,Oc1cc2c(cc1-c1cccc(Cl)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7100886
7835,Oc1cccc2c1CN1CCc3cc(-c4cc5ccccc5[nH]4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64056975
7836,CCCOc1ccc(ONS(C)(=O)=O)c(N2C(=O)CCc3cc(CC4CCC4)ccc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19059242
7837,CCCOc1ccc(OS(C)(=O)=O)c(OC2CCNCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23980764
7838,CCCOc1ccc(OS(C)(=O)=O)c(SCCCc2ccc(C(N)=O)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.064304665
7839,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(Oc3ccc(CC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27626485
7840,CCCOc1ccc(OS(N)(=O)=O)c(NC(=O)CC(N)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0055695768
7841,CCOC(=O)CCOc1ccc(OC)c(NC(=O)Nc2ccc(S(C)(=O)=O)cc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.014818514
7842,CCOCCOc1ccc(OC)c(NS(=O)(=O)c2ccccc2CC2CCCN2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15382025
7843,CCOc1cc2c(cc1O)CCN1Cc3c(Cc4cccc([N+](=O)[O-])c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4554996
7844,CNOc1ccc(OCCCS(=O)(=O)c2ccc(SC)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.056687262
7845,COCCCN1CCN(Cc2cccc(Cn3cnc4ccccc4c3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5156212
7846,COCCCN1CCN(Cc2cccc(ONC(=O)c3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5013819
7847,COOc1ccc(OCCNCSc2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.14173187
7848,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1cccc2c1COCO2,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.23571983
7849,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc([N+](N)=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58419365
7850,COc1cc2c(cc1O)C1Cc3cccc(Cc4cccc5ccc(CO)cc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76861256
7851,COc1cc2c(cc1OC)C1Cc3cccc(Cc4cccc5[nH]ccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7452817
7852,COc1cc2c(cc1SCc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6371661
7853,COc1ccc(OCCCCc2ccc(F)c(F)c2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07468131
7854,COc1ccc(OCCCN2CCC(c3ccc(Cl)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.7506988
7855,COc1ccc(OCCN2CCC(c3ccco3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.557495
7856,COc1ccc(OCCN2CCCC(Cc3ccccc3)C2)cc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.5697503
7857,COc1ccc(OCCN=CSc2ccccc2C(C)C)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.08470692
7858,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(Oc2ccc(CC3CCCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.17805228
7859,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1CN1CCC(OS(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.26053903
7860,COc1ccc(OCCOC(C)C)cc1NS(=O)(=O)c1cccc(Cl)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07860845
7861,COc1ccc(OCCOCC(C)C)cc1NS(=O)(=O)c1cccc(NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.023438783
7862,COc1cccc(C2CCN(CCN3CCN(c4ccccc4[N+](=O)[O-])CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6252186
7863,COc1cccc(CN2CCN(CCCCC3=CC=C4C=CC=C(C=C4)O3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.603851
7864,COc1ccccc1CC1CCN(CCOc2ccc(OSC)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6046411
7865,COc1ccccc1N1CCN(CCN2CCC(c3ccc(Br)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8133193
7866,COc1ccccc1N1CCN(CCOc2ccc(OC)c(S(=O)(=O)O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8779009
7867,COc1ccccc1NC(=O)C1CCN(CCN2CCN(c3ccccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.46639276
7868,CSOc1ccc(OCCCN2CCC(Cc3ccc4ccccc4c3)OC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.55509704
7869,Cc1cc(C(=O)NCCN2CCN(c3ccccc3)CC2)ccc1S(C)(=O)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.64361066
7870,Cc1cc(OCCN2CCC(Cc3ccc(F)cc3)C2)ccc1OSO,[*]CCOc1ccc(O[*])c([*])c1,0.45842433
7871,Cc1cc(OCCN2CCCC(Cc3ccc(F)cc3)C2)ccc1OOS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.3579032
7872,Cc1cc(OCCN=S(C)(=O)O)ccc1OCCCc1ccc(C2CCNCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.14792481
7873,Cc1cc(OCCNC(=O)c2ccc(F)cc2)ccc1ON1CCC(S(=O)(=O)c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.10688742
7874,Cc1cc(OCCNC2CCC(Oc3ccc(CC4CCCCC4)cc3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.12165595
7875,Cc1cc(OCCNCCc2cccs2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16288377
7876,Cc1cc(OCCS(C)(=O)=O)ccc1ONC(=O)Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.014627445
7877,Cc1cc2c(cc1-c1ccncc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6626475
7878,Cc1cc2c(cc1N)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6628511
7879,Cc1ccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)s1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56802654
7880,Cc1cccc2c1C(=O)N(Cc1cccc(CN3CCN(CCCCl)CC3)c1)C2=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5516817
7881,Cc1ccccc1N1CCN(CCN2CCC(c3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74374086
7882,Clc1ccccc1N1CCN(CCN2CCC(c3cnc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79780155
7883,Cn1c(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)nc2ccccc21,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72390985
7884,Fc1ccc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7926743
7885,N#Cc1cccc(C(=O)c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5523096
7886,O=C(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1cncc2ccccc12,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.47105148
7887,O=C1CCc2ccc(OCC3CCN(CCN4CCN(c5ccccc5Cl)CC4)CC3)nc2N1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.763096
7888,O=C1c2ccccc2CCN1CCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7777936
7889,O=CC1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.855341
7890,O=S(=O)(NC1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1)c1ccc(F)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7237705
7891,O=S1(=O)Cc2ccc(-c3cccc(CN4CCN(CCCCl)CC4)c3)cc2C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.693376
7892,OCc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c(Cl)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69656926
7893,Oc1cc2c(cc1Cl)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79763466
7894,Oc1cccc2c1CN1CCc3cc(-c4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7180027
7895,Oc1cccc2c1CN1CCc3cc(-c4ccccn4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65539235
7896,CC(=O)NCCOc1ccc(ON2CCC(c3ccccc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10883562
7897,CC(=O)Nc1cccc(C2CCN(CCN3CCN(c4ccccc4OC(C)C)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67388564
7898,CCCOc1ccc(OCN2CCN(C(C)=O)CS2)c(-c2cc(F)ccc2OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06257834
7899,CCCOc1ccc(ON2CCN(C(=O)c3ccc(F)cc3)CC2)c(CNS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06291865
7900,CCCOc1ccc(ON2CCN(c3ccc(C)cc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19386691
7901,CCCOc1ccc(OOC)c(-c2ccccc2OCC2CCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29029465
7902,CCCOc1ccc(OOC)c(N2CCC(NC(=O)c3cc(C)ccc3OC)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17009151
7903,CCCOc1ccc(OOC)c(N2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3211626
7904,CCCOc1ccc(OOC)c(N2CCN(c3ccccc3OCC(C)C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.45335725
7905,CCCOc1ccc(OS(C)(=O)=O)c(Cn2ccc3ccccc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1102752
7906,CCOc1ccccc1N1CCN(CCN2CCC(c3cccc4cccnc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8474564
7907,CCc1ccc(-c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6774891
7908,CNc1ccc(F)cc1N1CCN(CCCOc2ccc(OOC)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6254749
7909,COC1CCN(CCN2CCN(c3ccccc3-n3cc(C(F)(F)F)nc3C(C)(C)C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67896605
7910,COC1CCN(CCN2CCN(c3ccccc3-n3nccc3-c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6585942
7911,COCCCN1CCN(Cc2cccc(Oc3ccc4oc(=O)ccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5487673
7912,COCCOc1ccc(OC)c(N2CCOC(CCc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26607436
7913,COCCOc1ccc(ONC(=O)c2cccc(C)c2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.022352641
7914,COCc1cc2c(cc1-c1ccc(N(C)C)cc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5948715
7915,COc1cc2c(cc1-c1cc(C)ccc1C)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66491514
7916,COc1cc2c(cc1O)C1Cc3cccc(C(=O)NOCc4ccc5c(c4)CCCC5)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4579027
7917,COc1cc2c(cc1O)C1Cc3cccc(Cc4cc(C#N)ccc4C#N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7286224
7918,COc1cc2c(cc1O)CCN1Cc3c(cccc3OC(C)=O)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5789054
7919,COc1cc2c(cc1OC)C1Cc3cccc(Oc4ccc(C(F)(F)F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78353864
7920,COc1ccc(-c2cc(C(=O)NCCN3CCN(OC)CC3)ccc2O)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33775657
7921,COc1ccc(C2CCN(CCN3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8191591
7922,COc1ccc(OCCCC(=O)c2ccc(S(C)(=O)=O)cc2)cc1CN(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.050783534
7923,COc1ccc(OCCCN2CCC(c3ccccc3)CC2)cc1C(=O)C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6429931
7924,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)CNC(=O)CC4)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6244004
7925,COc1ccc(OCCN2CCC(Oc3ccccc3)CC2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5646981
7926,COc1ccc(OCCN=S(C)(=O)O)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.065686606
7927,COc1ccc(OCCNC(C)Cc2ccccc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13889375
7928,COc1cccc(C(=O)C2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)c1OC,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6548071
7929,COc1cccc(C(=O)NC2CCN(CCN3CCN(c4ccccc4O)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7606622
7930,COc1cccc(CN2CCN(CCCC(O)c3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72777754
7931,COc1cccc(CN2CCN(CCCCn3cc(C(F)(F)F)ccc3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5522462
7932,COc1cccc(CN2CCN(CCCN3SCc4ccccc4C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6981985
7933,COc1cccc2c1CN1CCc3cc(-c4ccc(CCO)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7896539
7934,COc1cccc2c1CN1CCc3cc(-c4ccc(N(C)C(C)=O)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46327206
7935,COc1ccccc1C1CCCN(CCOc2ccc(ON)c(C)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.51812524
7936,COc1ccccc1N1CCN(CCN2CCC(NC(=O)NCc3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87538594
7937,COc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77905995
7938,COc1ccccc1N1CCN(CCN2CCC(c3cccc(Oc4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8960923
7939,CS(=O)(=O)c1ccccc1N1CCN(CCN2CCC(n3c(O)nc4ccc(F)cc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7256039
7940,Cc1cc(OCCCS(N)(=O)=O)ccc1ON1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24878132
7941,Cc1cc(OCCN2CCC(c3ccccc3OC3CCCC3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.66954345
7942,Cc1cc(OCCNC(=O)CCc2ccc(F)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.019971954
7943,Cc1cc(OCCNCc2ccccc2)ccc1OCNS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.29722944
7944,Cc1ccccc1N1CCN(CCN2CCC(c3cc(F)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67592955
7945,ClC1CCN(CCN2CCN(c3ccccc3-c3cncc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80553275
7946,ClCCCN1CCN(Cc2cccc(-c3cc(-c4ccccc4)no3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5992666
7947,Clc1cccc(CN2CCN(CCCCCc3cccs3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72597575
7948,Fc1ccc(SCc2cccc(CN3CCN(CCCCl)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55426884
7949,N#CCCCN1CCN(Cc2cccc(CNC(=O)C3CCCCC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51914
7950,O=C(NCCN1CCN([N+](=O)[O-])CC1)c1ccc(F)c(-c2ccccc2)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.36903659
7951,O=C1Cc2ccccc2N1CCCCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7787931
7952,O=C1Nc2ccccc2C(=O)C1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60613775
7953,O=[N+]([O-])Cc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5668532
7954,Oc1cc(-c2ccccc2)cn1CC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8472972
7955,Oc1cc2ccccc2n1-c1ccccc1N1CCN(CCN2CCC(c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7462804
7956,C#Cc1ccccc1N1CCN(CCN2CCC(Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8060518
7957,C=Cc1cc2c(cc1C)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6146406
7958,CCCOc1ccc(OC)c(CN2CCN(Cc3cc4ccccc4o3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7469733
7959,CCCOc1ccc(OC2CN(c3ccccc3OC)CCN2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3908754
7960,CCCOc1ccc(OCN2CCN(Cc3ccccc3)CC2)c(SC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.55306345
7961,CCCOc1ccc(OCN2CCN(c3ccc(Cl)cc3)CC2)c(N)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6407231
7962,CCCOc1ccc(ONCC2CC(=O)C=C(C)C2)c(OC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03910851
7963,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(COc3ccc4c(c3)CC(C(C)=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2973305
7964,CCCOc1ccc(OOCC)c(N2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28375325
7965,CCCOc1ccc(OS(C)(=O)=O)c(CCCc2ccc3c(c2)N(CCC)C(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26951736
7966,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCN(c3ccc(OCC(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23266311
7967,CCOc1ccccc1N1CCN(CCN2CCC(n3cnc(C)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7833912
7968,CNCCOc1ccc(OC)c(N2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.42418608
7969,COC1CCN(CCN2CCN(c3ccccc3-c3cnnc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75941354
7970,COCCCN1CCN(Cc2cccc(-c3ccc4ccccc4n3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6154529
7971,COCc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61905366
7972,CON=C(CCCN1CCN(Cc2cccc(OC)c2)CC1)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63969535
7973,COc1cc(C(=O)NCCN2CCN(O)CC2)ccc1-c1ccc(Cl)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2845973
7974,COc1cc2c(cc1Br)CCN1Cc3c(Cc4cccc(C#N)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5609757
7975,COc1cc2c(cc1O)C1Cc3cccc(CCCN4CCCCC4=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46428382
7976,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc5c(C#N)cccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64720285
7977,COc1cc2c(cc1OC)C1Cc3cccc(-c4cccc(F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7034468
7978,COc1ccc(C#N)cc1-c1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73652637
7979,COc1ccc(C(=O)NCCOc2ccc(ONS(C)(=O)=O)c(C)c2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.015014161
7980,COc1ccc(CC2CCCN(Oc3ccc(OCCNS(C)(=O)=O)cc3C)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.21158375
7981,COc1ccc(COc2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9240883
7982,COc1ccc(OCCC(=O)Cc2ccc3c(c2)CC(C)CC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2785026
7983,COc1ccc(OCCCC2CCc3ccc(C(C)=O)cc3C2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.27926743
7984,COc1ccc(OCCCS(C)(=O)=O)cc1Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.093730204
7985,COc1ccc(OCCNCC2CCc3cc(OC)c(OC)cc3C2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.23648696
7986,COc1ccc(OCCNS(=O)(=O)c2cncc(C(C)=O)c2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.045934256
7987,COc1ccc(OCCS(N)(=O)=O)cc1CCCc1cccc2c1CCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.20478489
7988,COc1cccc(CN2CCN(CCCCNc3cccc(=O)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5468543
7989,COc1cccc(CN2CCN(CCCc3cccc(NC(C)=O)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.30945858
7990,COc1cccc2c1CN1CCc3cc(C4CCCCC4)c(C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5562968
7991,COc1cccc2c1CN1CCc3cc(Cc4cc5ccccc5[nH]4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6883832
7992,COc1ccccc1C(=O)NC1CCN(CCN2CCN(c3ccccc3OC(C)C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8648707
7993,COc1ccccc1N1CCN(CCN2CCC(c3c(OC)cccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8795097
7994,COc1ccccc1N1CCN(CCN2CCC(c3ccc(N)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8789021
7995,COc1cccn(Cc2cccc(CN3CCN(CCCF)CC3)c2)c1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.52021617
7996,CS(=O)(=O)c1ccc(C(=O)NCCN2CCN(c3ccccc3)CC2)cc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.7725577
7997,CSc1ccc(CNCCOc2ccc(ON=S(C)(=O)O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.11987431
7998,CSc1ccccc1N1CCN(CCN2CCC(c3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80625105
7999,Cc1cc(OCCCNC2CCC(OCc3ccccc3)C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.11696122
8000,Cc1cc(OCCF)ccc1ONS(=O)(=O)c1ccccc1F,[*]CCOc1ccc(O[*])c([*])c1,0.07919567
8001,Cc1cc(OCCN2CCC(NS(=O)(=O)c3ccc(F)cc3)C2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.6988026
8002,Cc1cc(OCCN2CCN(c3ccc(OCC(F)(F)F)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5928275
8003,Cc1cc(OCCN2CCN(c3ccccc3OC(C)C)CC2)ccc1ONC(=O)C1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.7265221
8004,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)CCC(=O)C3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.05650424
8005,Cc1cc(OCCNS(=O)(=O)c2ccccc2)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.09202699
8006,Cc1cc2c(cc1O)CCN1Cc3c(C#N)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69619364
8007,Clc1ccccc1N1CCN(CCN2CCC(COc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85860425
8008,Clc1ccccc1N1CCN(CCN2CCC(c3ccc4cccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8339735
8009,Fc1ccc(-c2ncc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)s2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6648023
8010,O=C(NC1CCN(CCN2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1)c1ccc2ccccc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.63142234
8011,O=C1CCSc2ccccc2N1c1cccc(CN2CCN(CCCOC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7185061
8012,O=S(=O)(NCCCCN1CCN(Cc2cccc(O)c2)CC1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61969376
8013,Oc1cc2c(cc1Cl)C1Cc3cccc(OC(F)(F)F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75127196
8014,Oc1cc2c(cc1O)C1Cc3cccc(Oc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7277732
8015,Oc1cccc2c1CN1CCc3cc(-c4ccc(COC(F)(F)F)cc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75243473
8016,Oc1cccc2c1CN1CCc3cc(C4CCC4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6406134
8017,Brc1ccccc1N1CCN(CCN2CCC(c3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7368119
8018,C=NCCOc1ccc(OC)c(CCCn2ccc(C)cc2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05535124
8019,CC1CCN(CCN2CCN(c3ccccc3-n3cc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7640588
8020,CCCC(=O)c1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5450018
8021,CCCCN1CCN(Cc2cccc(-c3ccc4c(c3)NC(=O)CC4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6666221
8022,CCCN(c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)C1CCc2ccc(O)cc2C1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7295803
8023,CCCOc1ccc(ONS(C)(=O)=O)c(NC(=O)COc2ccc(CC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0067126644
8024,CCCOc1ccc(OOC)c(CNC(=O)c2ccccc2OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.026097884
8025,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3ccc(CCCF)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25584298
8026,CCCOc1ccc(OS(C)(=O)=O)c(N2CCN(c3ccccc3OCCF)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3589222
8027,CCOc1ccc(F)cc1C(=O)C1CCN(CCOc2ccc(OC)c(SC)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5927379
8028,COC1CCN(CCN2CCN(c3ccccc3-c3nnc4cccccc3-4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70529306
8029,COC1CCN(CCN2CCN(c3ccccc3NC(=O)C3CCc4ccc(O)cc4C3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.54384774
8030,COCCCN1CCN(Cc2cccc(CN3C(=O)Cc4ccccc4C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.597877
8031,COCCOc1ccc(OC)c(CN2CCC(C(F)(F)F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5509585
8032,CON1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(-c3ccccc3C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.25778854
8033,COOc1ccc(OCCCCF)cc1N1CCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25562164
8034,COc1cc2c(cc1-c1ccccc1CO)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71341056
8035,COc1cc2c(cc1NC(C)=O)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.33322617
8036,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)[O-])CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5518498
8037,COc1cc2c(cc1O)CCN1Cc3c(cccc3NC(=O)c3cc4ccccc4[nH]3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.31488094
8038,COc1ccc(-c2cn(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)c(O)n2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71911633
8039,COc1ccc(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1-c1ccccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.20883754
8040,COc1ccc(OCCCCn2ccc(C(F)(F)F)c2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.12817706
8041,COc1ccc(OCCN(C)S(C)(=O)=O)cc1N1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3664553
8042,COc1ccc(OCCN)cc1CN1CCC(c2cccc(F)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6904177
8043,COc1ccc(OCCN2CCC(c3ccccc3OC)CC2)cc1C(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.679126
8044,COc1ccc(OCCN=S(C)(=O)O)cc1C(C)COc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07179295
8045,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCc2ccc(OCC3CCCCC3)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.30400935
8046,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5624935
8047,COc1ccc(OCCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.04528658
8048,COc1ccc(OCCOS(C)(=O)=O)cc1N1CCC(Oc2ccc(CC3CCCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20615737
8049,COc1ccc(OCCS(=O)(=O)c2cc(F)ccc2C(C)=O)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.032681737
8050,COc1ccc(OCCS(C)(=O)=O)cc1NCc1ccc(CC2CCCCN2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.15620673
8051,COc1ccc(OCCS(N)(=O)=O)cc1C1CCC(Cc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31706724
8052,COc1cccc(CN2CCN(CCCC3=CC(=O)CC3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54363817
8053,COc1ccccc1-c1nc(-c2cccc(CN3CCN(CCCCl)CC3)c2)cs1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58835655
8054,COc1ccccc1Cc1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5996356
8055,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccccc3COc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8476205
8056,COc1ccccc1N1CCN(CCN2CCC(Oc3ccc4c(c3)cc(O)n4C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8252999
8057,COc1ccccc1NC(=O)NC1CCN(CCN2CCN(c3ccccc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.36677736
8058,CS(=O)(=O)ON1CCN(CCNC(=O)c2ccc(O)c(-c3ccccc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3643528
8059,CSc1ccc(C(=O)N2CCC(CNOc3ccc(OCCNS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07246681
8060,Cc1cc(OCCCN2CCC(Cc3ccc(F)cc3)CC2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6169575
8061,Cc1cc(OCCN2CCC(Cc3ccc(OC4CCCCC4)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5349362
8062,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCO4)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.52023274
8063,Cc1cc(OCCN2CCC(NS(=O)(=O)c3ccc(C(C)C)cc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5658748
8064,Cc1cc(OCCN2CCN(c3cccc(OC(C)C)c3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5174181
8065,Cc1cccc(CN2CCN(CCCCN3CCCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7558766
8066,Cc1ccn(C2CCN(CCN3CCN(c4ccccc4OC(C)C)CC3)CC2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85725504
8067,Clc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccn[nH]4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84931874
8068,N#CCc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78609616
8069,O=C1CCc2ccccc2N1CCCCN1CCN(Cc2cccc(O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7745019
8070,O=C1Nc2ccccc2C1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6700265
8071,O=c1sc2ccccc2c(=O)n1-c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4796558
8072,Oc1cc2c(cc1Cc1ccccc1)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71563715
8073,Oc1cc2c(cc1OCc1cccc(Cl)c1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6017061
8074,Oc1cccc2c1CN1CCc3cc(-c4ccc5cc[nH]c5c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6562662
8075,Oc1ccccc1N1CCN(CCN2CCC(Cn3ccc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6787151
8076,CC#Cc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7629821
8077,CC(C)c1ccccc1N1CCN(CCN2CCC(c3ccc4cccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.707291
8078,CC1CCN(CCN2CCN(c3ccccc3-c3ccnc(-c4ccc(F)cc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75086975
8079,CCCOc1ccc(OC(N)=O)c(CNCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04603484
8080,CCCOc1ccc(OCN2CCC(c3ccccc3OCC)CC2)c(OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.45027766
8081,CCCOc1ccc(OF)c(CN2CCCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7293379
8082,CCCOc1ccc(ON2CCN(Cc3ccco3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.46450377
8083,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(Cc3cc4c(cc3C)CCC(=O)N4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.176821
8084,CCCOc1ccc(ONS(N)(=O)=O)c(N2CCC(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33713317
8085,CCCOc1ccc(OOC)c(-c2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12728393
8086,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3ccc4c(c3)C(=O)NCC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38851586
8087,CCCOc1ccc(OS(C)(=O)=O)c(Oc2ccc(CC(F)(F)F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06642819
8088,CCCOc1ccc(OSC)c(N2CCC(c3coc4ccccc34)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32767963
8089,CCN(C(=O)c1ccccc1)C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.698373
8090,CCN=Cc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63292485
8091,CCOc1ccccc1N1CCN(CCCOc2ccc(OOCCF)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.84888935
8092,CNC(=O)CCOc1ccc(OC)c(N2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15636294
8093,COC(=O)OCc1ccc(Cc2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4325435
8094,COC(=O)c1ccc(Cc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4081443
8095,COC(=O)c1ccccc1-c1cc(C(=O)NCCN2CCN(C)CC2)ccc1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31560403
8096,COC1CCN(CCN2CCN(c3ccccc3-c3nc(-c4ccccc4)n(C)c3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6990268
8097,COC1CCN(CCN2CCN(c3ccccc3N3C(=O)c4ccccc4C3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71229357
8098,COCCOc1ccc(OC)c(CN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.47067708
8099,COCc1cccc(-c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62238485
8100,COOc1ccc(OCCF)cc1CCNc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.10254711
8101,COc1cc2c(cc1-c1cccc(C#N)c1)C1Cc3cccc(C#N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7094088
8102,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(C(F)(F)F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7092914
8103,COc1cc2c(cc1O)C1Cc3cccc(C=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7749109
8104,COc1cc2c(cc1O)C1Cc3cccc(OC4CC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.85370976
8105,COc1cc2c(cc1O)CCN1Cc3c(CC(=O)NCc4ccc(C#N)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3404642
8106,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccccc4CO)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78442776
8107,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)Nc3cccc(C)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32455465
8108,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(cccc3OCC#N)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7560556
8109,COc1ccc(CNCOc2ccc(OCCNS(C)(=O)=O)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.110080294
8110,COc1ccc(OCCCn2ccc(CCC(F)(F)F)c2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.15258303
8111,COc1ccc(OCCN2CCC(CCc3ccc(F)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6266463
8112,COc1ccc(OCCN2CCC(Oc3ccc(C)cc3)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.41616732
8113,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(c2cccc3ccccc23)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19043358
8114,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.21600388
8115,COc1ccc(OCCNC(=O)c2ccc(C=O)s2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.019052139
8116,COc1ccc(OCCOC2CCC(NCc3ccccc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.15178818
8117,COc1ccc(OCCOCC(C)C)cc1S(=O)(=O)Cc1ccc(S(C)(=O)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.0693019
8118,COc1ccc(OCCS(N)(=O)=O)cc1CCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.2568488
8119,COc1ccc(OCCS(N)(=O)=O)cc1N1CCC(c2ccc(CC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2742005
8120,COc1cccc2c1CN1CCc3cc(Cc4cccc(Cl)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6320925
8121,COc1ccccc1N1CCN(CCN2CCC(c3cc4cc(Br)ccc4nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7360412
8122,CSOc1ccc(OCCCS(=O)(=O)c2ccc3c(c2)CNCC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.12828341
8123,Cc1cc(OCCN2CCC(OCc3ccccc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.63005865
8124,Cc1cc(OCCN2CCC(Oc3ccc(F)cc3)CC2)ccc1O[SH](C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.49609414
8125,Cc1cc(OCCNS(=O)(=O)c2cccc(Cl)c2)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.06510688
8126,Cc1cc(OCCNS(C)(=O)=O)ccc1ONCCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.1201395
8127,Cc1cccc(CN2CCN(CCCCc3cc(C=Cc4ccccc4)no3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.685707
8128,Cc1cccc(CN2CCN(CCCN=CC3COc4ccccc4N3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.52426755
8129,FC(F)(F)OCCCN1CCN(Cc2cccc(Cc3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6795923
8130,Fc1cccc(CN2CCN(CCCc3ccc(-c4ccccc4)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6195289
8131,N#Cc1ccc(S(=O)(=O)NC2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67970055
8132,N#Cc1ccccc1N1CCN(CCN2CCC(Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8060518
8133,O=C(Nc1ccc(Cl)cc1Cl)Oc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.37653154
8134,Oc1cc2c(cc1CCOc1ccccc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6385981
8135,Oc1cc2ccccc2cc1Cc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7072102
8136,Oc1cccc2c1CN1CCc3cc(C45CCC(CC4)N5)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70271456
8137,C=CCOc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78684026
8138,C=Cc1ccccc1OC1CCN(c2cc(OCCC)ccc2ON)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3855718
8139,CC(=O)Nc1cccc(CC2CCCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17677951
8140,CC(C)C1CCN(CCN2CCN(c3ccccc3C(=O)NCc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72443146
8141,CC(C)c1ccccc1N1CCN(CCN2CCC(Nc3ccc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71806246
8142,CC1(C)CC(=O)N(CCCN2CCN(Cc3cccc(F)c3)CC2)C(=O)C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6136425
8143,CCC(C)(C)Oc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8044453
8144,CCCOc1ccc(OC)c(C(=O)C2CCC(NCc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08645243
8145,CCCOc1ccc(ON2CCN(CC(=O)c3ccc(F)cc3)CC2)c(C(=O)OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19209145
8146,CCCOc1ccc(ONC(=O)c2ccccc2OCC)c(CN2CCN(C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27695072
8147,CCCOc1ccc(ONC)c(NC2CCc3cc(OC)c(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5472788
8148,CCCOc1ccc(ONS(C)(=O)=O)c(-c2cc3c(cc2OCC2CCCC2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21636467
8149,CCCOc1ccc(OOS(C)(=O)=O)c(-c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09321118
8150,CCCOc1ccc(OSC)c(N2CCC(O)(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26762035
8151,CCCOc1ccc(O[SH](C)C)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8141706
8152,CCOCCOc1ccc(OC)c(CCOc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13572478
8153,CCOc1ccccc1N1CCN(Oc2ccc(OCCN=S(C)(=O)O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1284732
8154,CN(C)C(=O)Nc1ccccc1-c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32834774
8155,CN(C)c1ccc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8076095
8156,COC(=O)CCc1ccccc1N1CCN(CCOc2ccc(OSC)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.58173263
8157,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc(-c4ccc(O)cc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83740354
8158,COOc1ccc(OCCN2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.67175996
8159,COc1cc2c(cc1C(=O)Nc1cccc(CO)c1)CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.24258846
8160,COc1cc2c(cc1O)C1Cc3cccc(C=Cc4ccc(CO)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78744596
8161,COc1cc2c(cc1OC)C1Cc3cccc(Cc4cc(C#N)cc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6116745
8162,COc1cc2c(cc1OC)C1Cc3cccc(OCc4ccc(CO)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6793698
8163,COc1cc2c(cc1OC)CC(CNOc1ccc(OCCF)cc1C)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.37912735
8164,COc1ccc(CO)c(-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73218715
8165,COc1ccc(OCCC(=O)Cc2ccc(F)cc2)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6638879
8166,COc1ccc(OCCCCCCc2ccc(F)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.11651604
8167,COc1ccc(OCCCN(C)Cc2ccccc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.19026008
8168,COc1ccc(OCCF)cc1S(=O)(=O)Nc1cc(Cl)ccc1C,[*]CCOc1ccc(O[*])c([*])c1,0.06828202
8169,COc1ccc(OCCN2CCN(c3cc(F)ccc3C(C)=O)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6627875
8170,COc1ccc(OCCNCc2ccccc2)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.30645758
8171,COc1ccc(OCCNS(C)(=O)=O)cc1CN1CCc2cc(OCC(F)(F)F)ccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.40836897
8172,COc1ccc(OCCS(C)(=O)=O)cc1NC(=O)c1ccc(CC2CCc3ccccc3C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.09609525
8173,COc1cccc(CN2CCN(CCCN=CC3Nc4ccccc4C(=O)N3c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46090034
8174,COc1cccc(Cc2cc3c(cc2OC)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6958148
8175,COc1cccc2c1CN1CCc3cc(C)c(Cc4ccc(N(C)C)cc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5858736
8176,CSOc1ccc(OCCCN2CCC(NS(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6276907
8177,CSOc1ccc(OCCN2CCC(S(=O)(=O)c3ccccc3F)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.61036736
8178,Cc1cc(OCCCN2CCC(Oc3ccccc3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.63259524
8179,Cc1cc(OCCN2CCC(C3CCc4ccccc4C3=O)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.69811374
8180,Cc1cc(OCCNC(=O)Sc2ccc(F)cc2)ccc1ON(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.028526096
8181,Cc1cc(OCCNCC2CCc3ccccc3C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.24157248
8182,Cc1cc(OCCNCCCc2ccccc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.23473704
8183,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24156553
8184,Cc1cccc(C(=O)C2CCN(CCOc3ccc(ON=S(C)(=O)O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.47986382
8185,Cc1ccccc1CC1CCN(CCOc2ccc(OS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.60564905
8186,Cc1ccn(C2CCN(CCN3CCN(c4ccccc4OC(C)C)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.822621
8187,Clc1ccccc1N1CCN(CCN2CCC(c3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87021106
8188,FCCCN1CCN(Cc2cccc(-c3cnc(-c4ccccc4)o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55948657
8189,FCCCN1CCN(Cc2cccc(Nc3ccc4ccccc4n3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5215483
8190,N#CCCCN1CCN(Cc2cccc(NC(=O)c3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.38430235
8191,N#Cc1cc2c(cc1O)C1Cc3cccc(Br)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77225316
8192,O=C(CCCCN1CCN(Cc2cccc(F)c2)CC1)N1CCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53916025
8193,O=[N+](O)c1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5781548
8194,O=c1oc(CCCN2CCN(Cc3cccc(F)c3)CC2)cc2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64508766
8195,Oc1cc2ccccc2cc1CCCCN1CCN(Cc2cccc(OCCF)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6719216
8196,CC1(C)Cc2ccccc2N(CCCN2CCN(Cc3cccc(Cl)c3)CC2)C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.71994156
8197,CCC(=O)Oc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53108275
8198,CCCCN1CCN(Cc2cccc(Cc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5978457
8199,CCCCn1cc(Oc2ccc(OCCCN3CCN(c4ccccc4OC)CC3)cc2C)nn1,[*]CCOc1ccc(O[*])c([*])c1,0.86304307
8200,CCCOc1ccc(OCc2ccc(OCCF)cc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08902723
8201,CCCOc1ccc(ON)c(N2CCCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28350043
8202,CCCOc1ccc(ON2CCN(Cc3ccccc3OCC)CC2)c(NOC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35656995
8203,CCCOc1ccc(ON2CCN(c3ccc(Cl)cc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3610384
8204,CCCOc1ccc(ON=C[SH](C)(=O)O)c(N2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19234088
8205,CCCOc1ccc(OOC(=O)CCc2ccccc2)c(NS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.048756313
8206,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25021636
8207,CCCOc1ccc(OS(C)(=O)=NO)c(CCCc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23682962
8208,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3ccc(OCC4CCCC4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28314716
8209,CCCOc1ccc(OS(C)(=O)=O)c(NCCc2ccc(OC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05841819
8210,CCCOc1ccc(OSC)c(NCc2ccc(OC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.079528116
8211,CCOCCCN1CCN(Cc2cccc(CNC(=O)c3ccc(-c4ccccc4)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.39939973
8212,CCOc1ccccc1N1CCN(CCN2CCC(CN)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8294451
8213,CCc1cccc(-c2cccc(CN3CCN(CCCOC)CC3)c2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5348042
8214,CN1CCN(CCNC(=O)c2ccc(Cl)c(-c3ccccc3[N+](=O)[O-])c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29104498
8215,COCCCN1CCN(Cc2cccc(-c3ccc(N4C(=O)c5ccccc5C4=O)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57657814
8216,COCCOc1ccc(OC)c(N2CCN(c3cccc(OC)c3C(C)C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3853957
8217,COCCOc1ccc(OCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.65526676
8218,CON1CCN(CCNC(=O)c2ccc(-c3ccccc3O)c([N+](=O)[O-])c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.37337524
8219,COc1cc(-c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)cc2ccc(O)cc12,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76841503
8220,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1cccc(C)c1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.20760618
8221,COc1cc2c(cc1Cc1ccccn1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67018396
8222,COc1cc2c(cc1NC(=O)OCc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.37912178
8223,COc1cc2c(cc1O)C1Cc3cccc(CO)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.88185674
8224,COc1cc2c(cc1O)C1Cc3cccc(COCc4ccc(OCc5ccccc5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7653126
8225,COc1cc2c(cc1O)C1Cc3cccc(Cc4cccc(Br)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7267653
8226,COc1cc2c(cc1O)C1Cc3cccc(OC(=O)NCc4cccc(Cl)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36338222
8227,COc1cc2c(cc1O)CCN1Cc3c(cccc3CN(C)C=Cc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7099206
8228,COc1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.61314726
8229,COc1ccc(OCCN2CCC(c3ccco3)CC2)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.64739513
8230,COc1ccc(OCCN2CCCC(O)(c3ccc(F)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5676126
8231,COc1ccc(OCCN2CCCC2Cc2ccccc2)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.25215998
8232,COc1ccc(OCCN2CCN(Cc3cccc(S(C)(=O)=O)c3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.4483894
8233,COc1ccc(OCCN=S(C)(=O)O)cc1CN1CCC(Oc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31912178
8234,COc1ccc(OCCNS(=O)(=O)c2ccc(C(C)C)cc2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.038230892
8235,COc1ccc(OCCSC)cc1N1CCN(c2ccccc2F)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29744938
8236,COc1cccc(CN2CCN(CCCC3NCS(=O)(=O)N3c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.47674775
8237,COc1cccc2c1CN1CCc3cc(-c4ccc[nH]4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7494101
8238,COc1cccc2c1CN1CCc3cc(C(=O)OCc4ccc(CN(C)C)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46816224
8239,COc1ccccc1N1CCN(CCN2CCC(c3nc(O)ccc3Br)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8265986
8240,Cc1cc(OCCCN2CCC(c3ccc(F)cc3)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6686974
8241,Cc1cc(OCCF)ccc1OC1CCN(Cc2cc3ccccc3o2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.54259294
8242,Cc1cc(OCCN2CCC(Cc3cccs3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.57923716
8243,Cc1cc(OCCN2CCC(Oc3ccc(CCCF)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5134427
8244,Cc1cc(OCCNCCc2ccc3c(c2)CCCCC3)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.24058619
8245,Cc1cc(OCCNS(=O)(=O)c2cccc(OCC(F)(F)F)c2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.092783846
8246,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(Cc2ccc(OC3CCNCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20325628
8247,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCCC(COc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.21718068
8248,Cc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccccn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66518074
8249,ClCCCN1CCN(Cc2cccc(-c3coc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6857638
8250,O=C(Cc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1)N1CCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4310023
8251,O=C1COc2c(cccc2-c2cccc(CN3CCN(CCCF)CC3)c2)N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60176784
8252,O=C1Cc2ccccc2N1Cc1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6877048
8253,O=S1(=O)Nc2ccccc2C1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69909716
8254,Oc1cc2c(cc1-c1cccc3ccccc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6014833
8255,C=CCOc1cc(OCCNC(=O)c2ccc(F)cc2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.029863434
8256,CC(C)C1CCN(CCN2CCN(c3ccccc3CCc3cc(O)nc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67422813
8257,CC1CCN(CCN2CCN(c3ccccc3Cc3ccc(C#N)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7287775
8258,CCC(=O)NCc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4062881
8259,CCC(C)(C)Oc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.86264294
8260,CCCOc1ccc(ON)c(CNC(=O)c2ccccc2OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.019575924
8261,CCCOc1ccc(OOS(C)(=O)=O)c(CCCc2ccc(C3CCNCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18522315
8262,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(Cc3ccccc3OC)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22235002
8263,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)c2ccc(C)cc2OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.01053738
8264,CCOc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccccc4)cc(F)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7375973
8265,CNS(=O)(=O)Oc1ccc(OCCNCc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.28407153
8266,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccc(O)cc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77240944
8267,COC1CCN(CCN2CCN(c3ccccc3NC(=O)C3COc4ccc(O)cc4C3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.33664444
8268,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc(-c4ccc5ccccc5n4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8410016
8269,COCCCN1CCN(Cc2cccc(N3CCC(Nc4ccccc4)C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4826341
8270,COCCCN1CCN(Cc2cccc(N3CCCC(Nc4ccccc4)C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46777824
8271,COCCCN1CCN(Cc2cccc(N3CCc4ccccc4C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70958275
8272,COCCOc1ccc(OC)c(CCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12785767
8273,COOc1ccc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.60054547
8274,COOc1ccc(OCCN2CCC(Nc3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.4769595
8275,COc1c(-c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)ccc2ccccc12,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8137995
8276,COc1cc2c(cc1CNc1ccccc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41573352
8277,COc1cc2c(cc1COCc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.81889045
8278,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc([N+](=O)[O-])cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5839523
8279,COc1cc2c(cc1O)C1Cc3cccc(C(O)[N+](C)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6648292
8280,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc([N+](=O)C(F)(F)F)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.595239
8281,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)Cc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55949134
8282,COc1cc2c(cc1OC)C1Cc3cccc(-c4cccc(CONC(C)=O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41004297
8283,COc1cc2c(cc1OC)C1Cc3cccc(-c4cccc([N+](=O)[O-])c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48083946
8284,COc1cc2c(cc1OC)C1Cc3cccc(C4CCCN4C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7645833
8285,COc1ccc(OCCN2CCN(Cc3cccc(C(=O)N4CCCCC4)c3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1351768
8286,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1CN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.079110354
8287,COc1ccc(OCCNCc2ccccc2)cc1NS(=O)(=O)c1ccc(C(C)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.13729206
8288,COc1ccc(OCCS(C)(=O)=O)cc1C1CCC(Cc2ccc(OC3CCCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.13281329
8289,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(c2ccc(F)cc2)CC1C,[*]CCOc1ccc(O[*])c([*])c1,0.32845423
8290,COc1ccc(OCCS(C)(=O)=O)cc1NCOCC1CCCc2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.21605317
8291,COc1cccc(-c2cc3c(cc2OCc2ccccc2)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64773685
8292,COc1cccc(C(=O)NCc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44242775
8293,COc1cccc2c1CN1CCc3cc(-c4cccc(C)c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6152487
8294,COc1ccccc1N1CCN(CCN2CCC(c3cncc(-c4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87876844
8295,COc1ccccc1N1CCN(COc2ccc(OCCN(C)C)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6921639
8296,CSOc1ccc(OCCN2CCC(O)(c3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5628488
8297,Cc1cc(OCCC(C)COc2ccc(F)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.078769185
8298,Cc1cc(OCCN2CCC(Cc3ccc(OC4CCNCC4)c(C=O)c3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.50093436
8299,Cc1cc(OCCN2CCC(c3cccc(CCF)c3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.67394006
8300,Cc1cc(OCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.68644226
8301,Cc1cc(OCCNC(=O)Cc2ccccc2)ccc1ON=S(C)(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.015649948
8302,Cc1cc(OCCNCc2ccc(Cl)cc2)ccc1OS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.11611308
8303,Cc1cc(OCCNCc2ccc(F)c(S(C)(=O)=O)c2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.09564214
8304,Cc1cc(OCCOC(C)C)ccc1ON1CCC(OCc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.45471653
8305,Cc1ccc(OC2CCN(Oc3ccc(OCCN=S(C)(=O)O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.14307977
8306,ClCCCN1CCN(Cc2cccc(C3COc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5659981
8307,FCCCN1CCN(Cc2cccc(N3CCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.684006
8308,N#Cc1cccc2c1CN1CCc3cc(OC(F)(F)F)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8265989
8309,O=C(COc1ccccc1)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.22212592
8310,O=C(NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)c1ccc2ccccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80152154
8311,O=[N+]([O-])C1CCN(CCN2CCN(c3ccccc3-c3nnc(-c4ccccc4)o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.60341775
8312,OC1=Nc2ccc(cc2)N1c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65524817
8313,Oc1cc2c(cc1-c1ccccc1OC(F)(F)F)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6654721
8314,Oc1ccc(-c2cccc(CN3CCN(CCCCl)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6359805
8315,Oc1cccnc1C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83464736
8316,CC1(C(=O)NCCCCN2CCN(Cc3cccc(Cl)c3)CC2)CCc2ccccc2C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6399711
8317,CCCCN1CCN(Cc2cccc(-n3c(=O)n(-c4ccccc4)c(=O)c4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.45104957
8318,CCCOc1ccc(OCS(N)(=O)=O)c(CCOc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10706979
8319,CCCOc1ccc(ON)c(NCCCc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1631508
8320,CCCOc1ccc(ON2CCC(CCc3ccccc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.45291623
8321,CCCOc1ccc(ON2CCC(c3ccccc3C)CC2)c(C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29346412
8322,CCCOc1ccc(ON2CCCCC2)c(OC2CCc3ccc(S(C)(=O)=O)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27911222
8323,CCCOc1ccc(ON2CCN(c3ccccc3OC)CC2)c(NOC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36030558
8324,CCCOc1ccc(OS(N)(=O)=O)c(Nc2ccccc2OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0763693
8325,CCOc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59123385
8326,CCc1ccccc1N1CCN(CCOc2ccc(OC)c(SC)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7164368
8327,CN1CCN(CCNC(=O)c2ccc(O)c(-c3cccc(Cl)c3Cl)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33561975
8328,COC1CCN(CCN2CCN(c3ccccc3-c3ncc(-c4ccc(Cl)cc4)o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6686805
8329,COC1CCN(CCN2CCN(c3ccccc3C(=O)C3Cc4ccccc4C3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6825129
8330,COCCCN1CCN(Cc2cccc(-c3cccc4cc(C(N)=O)ccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.38772774
8331,CON1CCN(CCNC(=O)c2ccc(Br)c(-c3ccccc3C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31566846
8332,COc1cc2c(cc1C[N+](=O)Cc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6817631
8333,COc1cc2c(cc1NC(=O)c1ccc(C)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.31643814
8334,COc1cc2c(cc1O)C1Cc3cccc(-c4ccn[nH]4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6045529
8335,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccc(C(C)(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7191656
8336,COc1cc2c(cc1OCc1ccc(CO)cc1)C1Cc3cccc(C=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58228904
8337,COc1ccc(CNCCOc2ccc(ONS(=O)(=O)c3ccccc3)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.21076103
8338,COc1ccc(COc2cc3c(cc2OC)C2Cc4cccc(C(F)(F)F)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.730697
8339,COc1ccc(OCCN2CCC(Oc3ccc(F)cc3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.69123435
8340,COc1ccc(OCCN=S(C)(=O)O)cc1COc1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.05346917
8341,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1CNCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.05078189
8342,COc1ccc(OCCO)cc1N1CCC(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.36271343
8343,COc1ccc(OCCSC)cc1N1CCC(Oc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4979131
8344,COc1ccc(OCCSCCCc2ccccc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.12907144
8345,COc1ccc2cccc(-c3cccc(CN4CCN(CCCCl)CC4)c3)c2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56306005
8346,COc1cccc(-c2ccn(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)n2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67853326
8347,COc1cccc(CCNCCOc2ccc(OOS(C)(=O)=O)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20598644
8348,COc1cccc(CN2CCN(CCCC3Cc4ccccc4N3C(C)=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.650625
8349,COc1cccc(CN2CCN(CCCCN3CCC(O)c4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6973436
8350,COc1ccccc1N1CCN(CCCOc2ccc(OF)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.9020484
8351,COc1ccccc1N1CCN(CCN2CCC(C(N)c3cccc4nc(O)ccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8392354
8352,COc1ccccc1N1CCN(CCN2CCC(n3cc4ccccc4c3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8452574
8353,CS(=O)(=O)c1cc(C(=O)NCCN2CCN(O)CC2)ccc1-c1cccc(Cl)c1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3014049
8354,Cc1cc(OCCCCOc2ccccc2C2CCCCC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.14581962
8355,Cc1cc(OCCN2CCC(Cc3ccc(OC4CCNC4)c(C(=O)F)c3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.44555387
8356,Cc1cc(OCCN2CCCC(Cc3ccc(OC4CCCC4)cc3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3479378
8357,Cc1cc(OCCN2CCCCC(c3ccccc3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.42625585
8358,Cc1cc(OCCN2CCN(Cc3ccc(F)cc3F)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.43955517
8359,Cc1cc(OCCNC2CCCN(Cc3ccc(F)cc3)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.33876958
8360,Cc1cc(OCCNCS(=O)(=O)c2ccc(F)cc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09759552
8361,Cc1cc(OCCOS(C)(=N)=O)ccc1ON1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2623524
8362,Cc1cc(OCCS(N)(=O)=O)ccc1ONCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.09655126
8363,Cc1ccc(C2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)nc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64275223
8364,ClC1CCN(CCN2CCN(c3ccccc3Cc3ccncc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7728471
8365,Clc1cccc(CN2CCN(CCCC3CCCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.75299454
8366,O=C(Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)Oc1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.37882054
8367,O=C(c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1cnn2ccccc12,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7016198
8368,O=C1Cc2c(CCCN3CCN(Cc4cccc(Cl)c4)CC3)cccc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5193854
8369,O=c1[nH]c(=O)n(C2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)cc1F,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7545211
8370,Oc1cc2c(cc1C=NCOc1cccc(Cl)c1Cl)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55831814
8371,Oc1ccc2c(C3CCN(CCN4CCN(c5ccccc5OCCF)CC4)CC3)nccc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7833155
8372,Oc1ccc2c(c1)OC(c1ccccc1N1CCN(CCN3CCC(Cl)CC3)CC1)CC2,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68089336
8373,Oc1ccnnc1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72459567
8374,Oc1nc2ccc(F)cc2n1C1CCN(CCN2CCN(c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66720414
8375,CC(=O)Nc1cccc(C2CCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.533551
8376,CC(CCCN1CCN(Cc2cccc(Cl)c2)CC1)N1C(=O)c2ccccc2C1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5231411
8377,CCCCCCOc1ccc(OCN2CCC(c3ccccc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.46873692
8378,CCCOc1ccc(OCN2CCCC(C)C2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.51720876
8379,CCCOc1ccc(ONS(C)(=O)=O)c(C2CCCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25752658
8380,CCCOc1ccc(ONS(C)(=O)=O)c(NCCc2ccc3c(c2)OC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20508036
8381,CCCOc1ccc(OOS(=O)(=O)C(C)=O)c(CCOc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1658754
8382,CCCOc1ccc(OS(=O)(=O)NC)c(NCCc2ccccc2OC2CCNC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26304516
8383,CCCOc1ccc(OS(C)(=O)=O)c(C(O)COc2ccc3c(c2)CCC(C=O)C3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4008537
8384,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3ccc4ccc(OC)cc4c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2769523
8385,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3ccccc3OC3CCCCC3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28142977
8386,CCCOc1ccc(OS(C)=O)c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24707824
8387,CCCOc1ccc(OSC)c(CCN2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7407188
8388,CCOc1cccc2c1CN1CCc3cc(O)c(Oc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64287466
8389,COC(=O)c1ccc(OC)c(-c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49713162
8390,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccc4ccc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6644919
8391,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccncc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6271582
8392,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3cc4ccccc4o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71914774
8393,COC=Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70275545
8394,COCCOc1ccc(OC)c(NCC2CCc3cc(OC)c(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39541778
8395,COOc1ccc(OCCC(O)COc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.185794
8396,COc1cc(-c2cc(C(=O)NCCN3CCN(OC)CC3)ccc2OC)ccc1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.23924448
8397,COc1cc2c(cc1O)C1Cc3cccc(NC(=O)NCCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3469565
8398,COc1cc2c(cc1O)C1Cc3cccc(OC(=O)Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52872264
8399,COc1cc2c(cc1O)CCN1Cc3c(COc4cccc(C#N)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7504114
8400,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc(NC=O)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.460309
8401,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc4c(c3)OCO4)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6200357
8402,COc1cc2c(cc1OC(=O)c1ccc3[nH]ccc3c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5005303
8403,COc1ccc(C(=O)NCCN2CCN(c3ccc(C)cc3)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.4242387
8404,COc1ccc(OCCC(C)C)cc1CC1CCc2c(F)cccc2C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.26257887
8405,COc1ccc(OCCCCCc2ccc3c(c2)CC(=O)CC3)cc1N=[SH](C)(O)O,[*]CCOc1ccc(O[*])c([*])c1,0.20466745
8406,COc1ccc(OCCCN2CCN(c3ccccc3OC)CC2)cc1CF,[*]CCOc1ccc(O[*])c([*])c1,0.95427376
8407,COc1ccc(OCCF)cc1NC(=O)Cc1cccc(NS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.012528485
8408,COc1ccc(OCCN(C)S(=O)(=O)c2ccccc2)cc1N1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.3830421
8409,COc1ccc(OCCN2CCC(NC(=O)c3cccc(C(F)(F)F)c3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4513774
8410,COc1ccc(OCCN=S(C)(=O)O)cc1CS(=O)(=O)Cc1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.054039557
8411,COc1ccc(OCCS(N)(=O)=O)cc1CNc1ccccc1OC(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.050952077
8412,COc1cccc(CCc2cccc3c2CN2CCc4cc(Cl)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73432416
8413,COc1cccc(NC(=O)c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.356149
8414,COc1ccccc1C1CCN(c2cc(OCCN=S(C)(=O)O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23053157
8415,COc1ccccc1CCCCCOc1ccc(OC)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1534357
8416,COc1ccccc1N1CCN(C=CNOc2ccc(OCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.34515363
8417,COc1ccccc1NC1CCN(Oc2ccc(OCCN=S(C)(=O)O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.10365042
8418,COc1ccn(C2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87876576
8419,CSOc1ccc(OCCN2CCN(Cc3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.49796656
8420,CSc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6585191
8421,CSc1ccc(OC2CCCN(CCOc3ccc(ON=S(C)(=O)O)c(C)c3)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.32228944
8422,Cc1cc(OCCN2CC(O)CCc3ccccc32)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.2856436
8423,Cc1cc(OCCN2CCC(C=Cc3ccccc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5719969
8424,Cc1cc(OCCN2CCc3ccccc3C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.38455153
8425,Cc1cc(OCCNCCc2ccc3c(c2)CC(=O)CC3)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.18980885
8426,Cc1cc(OCCNCc2ccccc2)ccc1ON1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.24594243
8427,Cc1cc(OCCNCc2ccccc2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.29531413
8428,Clc1cccc(CN2CCN(CCCN3CCCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7588271
8429,FCCCN1CCN(Cc2cccc(-c3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.76526314
8430,Fc1ccc(F)c(C2CCN(CCN3CCN(c4ccccc4F)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7002561
8431,O=C(CCCCN1CCN(Cc2cccc(Cl)c2)CC1)NC1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4651158
8432,O=C(Nc1cccc(CN2CCN(CCCOC(F)(F)F)CC2)c1)c1cc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.36538216
8433,O=S(=O)(Oc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)C(F)(F)F,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65613866
8434,Oc1cc2c(cc1-c1cc[nH]c1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69931036
8435,Oc1cc2c(cc1Oc1ccccc1)CCN1Cc3c(F)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77341616
8436,C#Cc1cccc(-c2cc(C(=O)NCCN3CCN(OC)CC3)ccc2OC)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27457705
8437,CC(=O)NCCOc1ccc(OCN2CCC(C)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19483551
8438,CC1CCN(CCN2CCN(c3ccccc3C#N)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8129389
8439,CC1CCN(CCN2CCN(c3ccccc3Oc3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79729563
8440,CCCOc1ccc(OC(C)COc2ccccc2)c(N(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16819863
8441,CCCOc1ccc(OCCOc2ccc(F)cc2)c(NC(=O)COc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.01640283
8442,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3160953
8443,CCCOc1ccc(OOC)c(C(F)COc2ccccc2F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14227808
8444,CCCOc1ccc(OOC)c(NCC2CC=C(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22043315
8445,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(Oc3ccc(CC4CCC4)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19095051
8446,CCOc1cccc(OC)c1-c1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6036675
8447,CCOc1ccccc1N1CCCN(CCOc2ccc(OC)c(OCCF)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8170709
8448,CCSc1cccc(C2=CCN(CCOc3ccc(ON)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.43477586
8449,CC[N+]Cc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8676988
8450,CCc1ccccc1OC1CCCN(CCOc2ccc(OC)c(N=S(C)(=O)O)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.41586265
8451,CNC(=O)OCc1ccc(Cc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41901413
8452,CNC1CCOc2cccc(CCCOc3ccc(ONS(C)(=O)=O)c(C)c3)c2CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27037838
8453,COC(=O)c1ccccc1N1CCN(CCN2CCC(c3ccc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6315753
8454,COC1CCN(CCN2CCN(c3ccccc3Cc3cc4ncccc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7100515
8455,COCCOc1ccc(OC)c(Cc2ccc(N(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1227663
8456,CON1CCN(CCNC(=O)c2ccc(C)c(-c3cc(C)ccc3C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2010747
8457,COc1cc2c(cc1O)C1Cc3cccc(C(=O)[N+](C)(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6179491
8458,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccc(COC(N)=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55478024
8459,COc1cc2c(cc1O)CCN1Cc3c(CNCc4cccc(C)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5857069
8460,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=Cc3ccc(C#N)cc3)ON)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6854813
8461,COc1cc2c(cc1O)CCN1Cc3c(cccc3OC(=O)NCc3ccc(F)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41153958
8462,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)NCc4cccc(OC(F)(F)F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46004862
8463,COc1ccc(Br)c(-c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)c1OC,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7526081
8464,COc1ccc(OCCCS(C)(=O)=O)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08145685
8465,COc1ccc(OCCF)cc1NCCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.18181968
8466,COc1ccc(OCCN(C)C)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.20636411
8467,COc1ccc(OCCN2CCC(Cc3ccc(OC4CCNC(=O)C4)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.45443237
8468,COc1ccc(OCCN2CCCC(c3ccccc3)C2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.60912484
8469,COc1ccc(OCCN=S(C)(=O)O)cc1CN1CCN(c2ccccn2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5196797
8470,COc1ccc(OCCNC(=O)c2ccc(C)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.014639594
8471,COc1ccc(OCCNCc2ccccc2)cc1C(=O)N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.20667142
8472,COc1ccc(OCCS(C)(=O)=O)cc1OC1CCc2ccc(CC3CCC(=O)NC3)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.35518256
8473,COc1cccc2c1CN1CCc3cc(-c4cc(C#N)c5ccccc5c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67777663
8474,COc1cccc2c1CN1CCc3cc(C#CCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6867193
8475,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(NC(C)=O)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2308183
8476,COc1ccccc1CNCCOc1ccc(ONS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14253354
8477,COc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8511522
8478,CSOc1ccc(OCCNCc2ccc(S(N)(=O)=O)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.12386643
8479,CSc1cc(OCCF)ccc1OCN1CCC(NS(=O)(=O)c2cccc(Cl)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.5949747
8480,Cc1cc(OCCCCSc2ccc(F)cc2)ccc1ONS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.053979736
8481,Cc1cc(OCCCNS(C)(=O)=O)ccc1ON1CCC(Oc2ccc(CC3CCCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.13609457
8482,Cc1cc(OCCNCCC2C(=O)COc3ccccc32)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.1457538
8483,Cc1cc(OCCOS(C)(=O)=O)ccc1ON1CCC(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24350153
8484,Cc1cc2c(cc1O)C1Cc3cccc(-c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57321155
8485,Cc1ccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2N)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.18919468
8486,FC(F)(F)c1cccc(CN2CCN(CCCCc3nc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.74986804
8487,Fc1ccc(Sc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7452621
8488,N#Cc1ccc(CON=Cc2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.675828
8489,O=C(CCCN1CCN(Cc2cccc(F)c2)CC1)N1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.37417057
8490,O=C(NCC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)c1cc2ccccc2s1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8228421
8491,O=C(NCc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1)C1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.50094867
8492,O=C(c1ccc(F)cc1)C1CCN(CCN2CCN(c3ccccc3OCCF)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8014137
8493,O=Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6860952
8494,O=c1sc2ccccc2n1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.705302
8495,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8368147
8496,CCCCc1cc(-c2cc(OCCF)ccc2OOC)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.098697536
8497,CCCOc1ccc(OC(=O)COc2ccccc2)c(CN2CCN(C(C)=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12229625
8498,CCCOc1ccc(OC)c(CN2CCC(NS(=O)(=O)c3ccc(C(C)C)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37997997
8499,CCCOc1ccc(OC2CCN(CC)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.53684455
8500,CCCOc1ccc(OCOc2ccc(F)cc2)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.78119445
8501,CCCOc1ccc(ON)c(CCNC(=O)c2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.023061646
8502,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22884998
8503,CCCOc1ccc(ONS(C)(=O)=O)c(CCCc2ccc(SC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08613874
8504,CCCOc1ccc(ONS(C)(=O)=O)c(NC(=O)Cc2ccc(C3(O)CCCCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.023201374
8505,CCCOc1ccc(OS(C)(=O)=O)c(NCCC2CCc3ccc(c(OC)c3)CCC2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28840446
8506,CCCOc1ccc(OSC)c(NC(=O)Cc2ccc3c(c2)C(COC(C)=O)CCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13911296
8507,CCOCCCN1CCN(Cc2cccc(COc3ccc4c(c3)NC(=O)CC4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6082854
8508,CCOc1ccccc1CS(=O)(=O)NCCOc1ccc(OC)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10712202
8509,CCOc1ccccc1N1CCN(CCN2CCC(c3cc(O)nc4ccc(O)cc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7164174
8510,CCc1ccc(OC2CCN(c3cc(OCCS(C)(=O)=NOC)ccc3OC)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.20424375
8511,CN=S(=O)(O)CCOc1ccc(OC)c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16750537
8512,COC(=O)C1Cc2ccccc2N1CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6365142
8513,COC1CCN(CCN2CCN(c3ccccc3NC(=O)OC(C)(C)C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4834637
8514,COCCOc1ccc(OC)c(CCN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.893014
8515,COCCOc1ccc(ON2CCC(c3cccc(C)c3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40741488
8516,COCCc1ccc(C2CCCN(c3cc(OCCCS(N)(=O)=O)ccc3OC)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.2574989
8517,COc1cc(OC)cc(-c2ccc(C(=O)NCCN3CCN(OC)CC3)cc2OC)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.24037622
8518,COc1cc2c(cc1O)C1Cc3cccc(-c4cccc([N+](=O)O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64285654
8519,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(OS(C)(=O)=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6910007
8520,COc1cc2c(cc1O)CCN1Cc3c(CF)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8659824
8521,COc1cc2c(cc1OCc1cccc(F)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6979198
8522,COc1ccc(OCCC(N)=O)cc1CF,[*]CCOc1ccc(O[*])c([*])c1,0.027314635
8523,COc1ccc(OCCF)cc1N1CCN(C[SH](C)(=O)c2ccc(C(C)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.39402047
8524,COc1ccc(OCCN2CCC(C(C)=O)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.45888332
8525,COc1ccc(OCCNC(=O)c2ccccc2)cc1CC1CN1CCC(=O)C(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.15141991
8526,COc1ccc(OCCOS(C)(=O)=O)cc1OCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.09889761
8527,COc1ccc2c(c1)CC(Cc1cc(OCCNC(C)=O)ccc1OC)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.32759997
8528,COc1cccc(CN2CCN(CCCCCN3CCc4ccccc4C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.84355336
8529,COc1cccc2c1CN1CCc3cc(C)c(CNc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.37914127
8530,COc1ccccc1N1CCN(CCN2CCC(OCC#Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8032445
8531,COc1ccccc1N1CCN(CCN2CCC(Oc3ccc4c(c3)NC(=O)CCO4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7440414
8532,COc1cnc2cc(C(=O)Nc3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)ccc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.45790482
8533,CS(=O)(=O)NOc1ccc(OCCF)cc1CN1CCC(S(=O)(=O)c2ccc(C(N)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.26443914
8534,CSOc1ccc(OCCN2CCC(C(=O)c3ccc(F)c(F)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.511764
8535,CSc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccccc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7309924
8536,Cc1cc(OCCC(=O)COc2ccccc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.0373135
8537,Cc1cc(OCCCCOc2ccccc2C)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.10344491
8538,Cc1cc(OCCN2CCC(C3CCc4ccccc4C3=O)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.53635013
8539,Cc1cc(OCCNC(=O)Cc2ccccc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.02148156
8540,Cc1cc(OCCNC=S(C)(=O)O)ccc1OCCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.12832084
8541,Cc1cc(OCCNCCCC2COc3ccc(cc3)CC2F)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.20435548
8542,Cc1cc(OCCNS(C)(=O)=O)ccc1OC(C)COc1ccc2c(c1)CCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.1765101
8543,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCC(Cc2ccc(OC3CCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1738891
8544,Cc1ccc(C)c(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2O)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.18527998
8545,Cc1ccccc1N1CCN(CCN2CCC(n3c(O)nc4cc(F)ccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6613855
8546,FC(F)(F)c1ccc(CCCN2CCN(Cc3cccc(Cl)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7181637
8547,Fc1cccc(CN2CCN(CCCCc3ccco3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6307656
8548,NCCON=Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6902122
8549,O=C1CCCC(=O)N1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67542386
8550,O=c1cc2c(-c3cccc(CN4CCN(CCCCl)CC4)c3)c(s1)C=CC=C2,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.40217134
8551,Oc1cccc2c1CN1CCc3cc(C4=CC=CC=CO4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.579416
8552,C=Cc1ccccc1OC1CCC(CNCCOc2ccc(OSC)c(C)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.10042477
8553,CC(=O)NCCCN1CCN(Cc2cccc(CNC(=O)c3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3618219
8554,CCC(=O)c1cc2c(cc1C)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49122706
8555,CCCCOc1ccc(OOC)c(CN2CCN(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7226692
8556,CCCCc1ccc(CCOc2ccc(OC)c(COCc3ccc(SC)cc3)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.11338734
8557,CCCOc1ccc(OCNS(C)(=O)=O)c(N2CCC(Oc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3092252
8558,CCCOc1ccc(ON)c(N2CCCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27684757
8559,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(Oc3ccc4oc(C(N)=O)cc4c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11074455
8560,CCCOc1ccc(OOC)c(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24413906
8561,CCCOc1ccc(OS(C)(=O)=O)c(-c2ccc(C3CCN(C)CC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4043242
8562,CCCOc1ccc(OS(C)(=O)=O)c(NCc2ccc(S(C)(=O)=O)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03006301
8563,CCCOc1ccc(OSC)c(NC(=O)Cc2ccc(OC3CCCCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.025557946
8564,CCCc1ccn(CCCOc2ccc(OC)c(S(C)(=O)=O)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09848674
8565,CCOc1cc2c(cc1O)C1Cc3cccc(NC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4854034
8566,CCc1ccc(OC2CCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.5104556
8567,CCc1ccccc1OC1CCCN(Oc2ccc(OCCN=S(C)(=O)O)cc2C)C1,[*]CCOc1ccc(O[*])c([*])c1,0.15964308
8568,COC(=O)C1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.740261
8569,COC1CCN(CCN2CCN(c3ccccc3-c3ncccc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7823512
8570,COCCOc1ccc(OC)c(N2CCc3oc(CCCF)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3228905
8571,COOc1ccc(OCCF)cc1CN1CCCC(CCc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.45390904
8572,COS(=O)(=O)NOc1ccc(OCCNS(=O)(=O)c2ccccc2F)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.105296664
8573,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccccc1Br,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31835267
8574,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1C1Cc2ccccc2N(C)C1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.5362307
8575,COc1cc2c(cc1C(C)=O)CCN1Cc3c(cccc3Oc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44794863
8576,COc1cc2c(cc1NC(=O)c1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3676355
8577,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(COC5CCCC5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6534321
8578,COc1cc2c(cc1O)C1Cc3cccc(-c4cccc(OC(C)C)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4783778
8579,COc1cc2c(cc1O)C1Cc3cccc(Oc4cccc(F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.84720814
8580,COc1cc2c(cc1O)CCN1Cc3c(Cc4cccc([N+](=O)[O-])c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5060239
8581,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3ccc(O)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7082511
8582,COc1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8148803
8583,COc1ccc(OCCC=Cc2cccs2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.089859076
8584,COc1ccc(OCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.7888647
8585,COc1ccc(OCCCS(C)(=O)=O)cc1CCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.25835794
8586,COc1ccc(OCCF)cc1NC(=O)c1ccccc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.04370926
8587,COc1ccc(OCCN2CCC(=O)C(c3ccccc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.6348655
8588,COc1ccc(OCCN2CCC(c3ccccc3C)CC2)cc1S(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.44317698
8589,COc1ccc(OCCN2CCCC(c3ccccc3)C2)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4105092
8590,COc1ccc(OCCN2CCCC2=O)cc1NC(=O)Cc1ccc(S(N)(=O)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.033699196
8591,COc1ccc(OCCN=S(C)(=O)O)cc1-c1ccc(C2CCN(C)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.31024405
8592,COc1ccc(OCCNS(C)(=O)=O)cc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.07201418
8593,COc1ccc(OCCS(=O)(=O)Cc2ccc(F)cc2)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08055147
8594,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(Cc2ccc(Cl)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.28033826
8595,COc1cccc(CN2CCN(CCCCc3ccccn3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6798915
8596,COc1cccc2c1CN1CCc3cc(O)c(-c4ccc(C)cc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64856523
8597,COc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83219445
8598,COc1ccccc1N1CCN(CCNC(=O)c2ccc(S(C)(=O)=O)c(OC)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.8569233
8599,CSc1ccc(C(=O)C2CCN(COc3ccc(OCCF)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.3631153
8600,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(Cc2ccc3c(c2)CC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23434624
8601,Cc1cc(OCCN=S(C)(=O)O)ccc1ONCCc1ccccc1OC1CCC1,[*]CCOc1ccc(O[*])c([*])c1,0.079675525
8602,Cc1cc2c(cc1O)CCN1Cc3c(N)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64709044
8603,Cc1cccc(CN2CCN(CCCCc3coc(-c4ccccc4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6382807
8604,Fc1ccc(C#CCOCC2CCN(CCN3CCN(c4ccccc4F)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72512496
8605,Fc1ccccc1N1CCN(CCN2CCC(c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7224204
8606,N#Cc1cccc2c1CN1CCc3cc(O)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7346818
8607,O=C(c1cc2ccccc2cn1)c1ccccc1N1CCN(CCN2CCC(O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65332127
8608,O=C(c1cccc(CN2CCN(CCCCl)CC2)c1)C1OCCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54886097
8609,O=C(c1ccccc1)n1cnc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7215468
8610,O=[N+]([O-])C1CCN(CCN2CCN(c3ccccc3-c3ccc(O)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.613491
8611,O=[N+]([O-])c1ccccc1N1CCN(CCN2CCC(n3ccc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.561507
8612,c1ccc(-c2ccccc2N2CCN(CCN3CCC(c4cccnc4)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85031325
8613,c1ccc(CCCN2CCN(Cc3cccc(Cn4cccc4)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7178367
8614,C=C(C)c1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71645606
8615,CC(=O)c1ccc(OC2CCN(CCCOc3ccc(ONS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.4635325
8616,CC(C)Oc1ccccc1N1CCN(CCN2CCC(C(=O)c3cccc(F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8745209
8617,CC1(c2cccc(CN3CCN(CCCCl)CC3)c2)CC(=O)Oc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56092495
8618,CC1CCN(CCN2CCN(c3ccccc3-n3cnc4ccccc4c3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6022739
8619,CCCCN1CCN(Oc2ccc(OCCOC)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.51190674
8620,CCCCc1ccc(-c2cc(OCCC)ccc2OS(C)(=O)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.069082424
8621,CCCOc1ccc(OC(C)=O)c(N2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19192418
8622,CCCOc1ccc(OC=[SH]O)c(Nc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06223074
8623,CCCOc1ccc(OOC)c(CNS(=O)(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07503866
8624,CCc1ccccc1C(CCCOc1ccc(OC)c(S(C)(=O)=O)c1)CCN1CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4606766
8625,CNCCOc1ccc(OC)c(N2CCC(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25472885
8626,COC(=O)c1ccccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3301543
8627,COC1CCN(CCN2CCN(c3ccccc3-c3ccnc4cc(O)ccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6939779
8628,COCCCN1CCN(Cc2cccc(N3c4ccccc4CC3C(=O)OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54920304
8629,COOc1ccc(OCCCC(=O)c2ccc3ccccc3c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.05662978
8630,COc1cc(OCCCF)ccc1ON1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4058604
8631,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3ccccc3Cl)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7139753
8632,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(OCC(F)(F)F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6348407
8633,COc1cc2c(cc1OC)C1Cc3cccc(CC=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7333485
8634,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc(COC(C)=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4489482
8635,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc5ccc(C#N)cc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55652475
8636,COc1cc2c(cc1OCc1ccc(CO)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7766421
8637,COc1ccc(Cc2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7784197
8638,COc1ccc(OC)c(C(=O)NC2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87839097
8639,COc1ccc(OCCF)cc1CS(=O)(=O)C1CCCN1,[*]CCOc1ccc(O[*])c([*])c1,0.17074688
8640,COc1ccc(OCCN2C=CC(=O)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.20029478
8641,COc1ccc(OCCN2CC(c3ccc(SC)cc3)CC2=O)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.14143017
8642,COc1ccc(OCCN2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5266369
8643,COc1ccc(OCCN2CCC(c3ccccc3)CC2)cc1[SH](C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.61807114
8644,COc1ccc(OCCN2CCN(C)CC2)cc1Oc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.5923733
8645,COc1ccc(OCCN2CCN(CC(=O)c3ccc(F)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.37289444
8646,COc1ccc(OCCN2CCN(CCc3ccccc3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.52276576
8647,COc1ccc(OCCN2CCN(c3cccc(C(C)=O)c3)C2=O)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.35357568
8648,COc1ccc(OCCN2CCN(c3ccccc3OC(C)C)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.88403946
8649,COc1ccc(OCCNS(=O)(=O)Cc2ccc(F)cc2)cc1N1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.19667195
8650,COc1ccc(OCCOS(C)(=O)=O)cc1NC(=O)COc1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.007697174
8651,COc1ccc(OCCS(N)(=O)=O)cc1N1CCC(Oc2ccc3c(c2)CCC(=O)N3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.32226992
8652,COc1ccc(OCCSC)cc1CN1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.53891784
8653,COc1ccc2c(c1)C(=O)N(c1cccc(CN3CCN(CCCc4ccccc4)CC3)c1)CC2,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6561223
8654,COc1cccc(CN2CCN(CCCCCC(=O)NC3CCCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5398062
8655,COc1cccc(COc2cccc3c2CN2CCc4cc(OCc5ccccc5)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62662804
8656,COc1cccc2c1CN1CCc3cc(COCc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70723605
8657,COc1ccccc1C1CCN(CCOc2ccc(O[N+](C)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6286473
8658,COc1ccccc1N1CCN(CCN2CCC(c3ccc4cc(F)ccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8059484
8659,C[N+]c1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.80562997
8660,Cc1cc(OCCCS(=O)(=O)c2ccc(F)cc2)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.06539772
8661,Cc1cc(OCCF)ccc1ONC1CCc2cc(CC(C)C)ccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.38920233
8662,Cc1cc(OCCN2CCC(NC(=O)c3ccc(F)cc3)C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.418415
8663,Cc1cc(OCCN2CCN(c3ccccc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.74663645
8664,Cc1cc(OCCNC=Cc2cccc(Cl)c2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.05032091
8665,Cc1cc(OCCSCCCc2ccc3c(c2)CC(=O)CC3)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.17402811
8666,Cc1ccccc1N1CCN(CCN2CCC(Oc3ccc4nc(O)oc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.59969807
8667,FC(F)(F)CCCN1CCN(Cc2cccc(Nc3ccccn3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.47620985
8668,Fc1cccc(CN2CCN(CCCC=Cc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7101081
8669,Fc1cnc(C2CCN(CCN3CCN(c4ccccc4F)CC3)CC2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69003665
8670,O=C(Nc1ccccc1Cl)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40098327
8671,O=C1CCc2ccc(CC3CCN(CCN4CCN(c5ccccc5F)CC4)CC3)cc2N1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7818071
8672,ONCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6567886
8673,C=Cc1cc2c(cc1COC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.541694
8674,CC(C)Oc1ccccc1N1CCN(CCN2CCC(Sc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7841233
8675,CC1CCN(CCN2CCN(c3ccccc3-n3cccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7969825
8676,CCCOc1ccc(OC(=O)C2CCNCC2)c(C(C)Cc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14845413
8677,CCCOc1ccc(OC(F)COc2ccccc2)c(CN2CCN(c3cccc(OC)c3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.60622245
8678,CCCOc1ccc(OCCCc2ccccc2)c(Nc2cccc(OC)c2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11859858
8679,CCCOc1ccc(ON2CCN(C(C)=O)CC2)c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09782409
8680,CCCOc1ccc(ONC(=O)COc2ccccc2N2CCN(C)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38601297
8681,CCCOc1ccc(ONC)c(N2CCCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28990388
8682,CCCOc1ccc(OOC)c(-c2cccn2CCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21355583
8683,CCCOc1ccc(OS(C)(=O)=O)c(CC2CCc3cc(F)ccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4653956
8684,CCCOc1ccc(OS(C)(=O)=O)c(Cc2ccc(Cl)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.096262544
8685,CCCOc1ccc(OSC)c(CCCc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19215958
8686,CCOC(=O)N1CCN(CCNC(=O)c2ccc(OC)c(C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.12360545
8687,CCOc1ccc2c(c1)CC(Nc1cc(OCCS(C)(=O)=O)ccc1OC)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.3945492
8688,CCOc1ccccc1N1CCN(CCN2CCC(O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80758864
8689,COC1CCN(CCN2CCN(c3ccccc3-n3cc4cccc(O)c4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79623485
8690,COOc1ccc(OCCF)cc1CN1CCN(C(C)c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.45915112
8691,COOc1ccc(OCCN2CCC(F)(S(=O)(=O)c3ccccc3F)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5347779
8692,COc1cc(CCc2ccccc2)ccc1OCCOc1ccc(OC)c(S(N)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.086491525
8693,COc1cc2c(cc1CO)CCN1Cc3c(Cc4ccc(C#N)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6766957
8694,COc1cc2c(cc1O)C1Cc3cccc(CC(=O)NCc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39038497
8695,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)NCc3cccc(Cl)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4295001
8696,COc1cc2c(cc1OC)C1Cc3cccc(C4CN(C)CCO4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6581525
8697,COc1cc2c(cc1OC)C1Cc3cccc(OC4CC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8043809
8698,COc1cc2c(cc1SC)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73106676
8699,COc1ccc(Br)cc1C(=O)Nc1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.41203645
8700,COc1ccc(CCOc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78751504
8701,COc1ccc(OCCC(=O)c2cccc(F)c2F)cc1CN1CCC(S(=O)(=O)O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.37023896
8702,COc1ccc(OCCC(C)=O)cc1C1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.23353341
8703,COc1ccc(OCCCC(=O)c2ccc(SC)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.038717523
8704,COc1ccc(OCCCN(C)C)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.15006642
8705,COc1ccc(OCCN2CCC(Cc3ccc(OC4CCCC(=O)C4)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4328833
8706,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC(=O)C4)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5522659
8707,COc1ccc(OCCN2CCCC(c3ccc(OC4CCCCC4)cc3)C2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.48052016
8708,COc1ccc(OCCNS(C)(=O)=O)cc1CN1CCC(Cc2ccc(SC)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.37734973
8709,COc1ccc(OCCOS(C)(=O)=O)cc1S(=O)(=O)N(C)CCc1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.09835159
8710,COc1ccc(OCCS(C)=O)cc1N1CCCC(Oc2ccc(CC(F)(F)F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.25524083
8711,COc1ccc(OCCS(N)(=O)=O)cc1N1CCCC(c2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2521414
8712,COc1cccc(CN2CCN(CCCCC(=O)c3cc4ccccc4s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59523696
8713,COc1cccc(CN2CCN(CCCCCN3C(=O)C(=O)c4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6909137
8714,COc1cccc(CN2CCN(CCCCNC(=O)C3(C)CCCc4ccccc4C3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5735721
8715,COc1cccc(CN2CCN(CCCc3cccc(S(=O)(=O)N(C)C)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5257748
8716,COc1cccc(CN2CCN(CCCc3ccccc3S(=O)(=O)[O-])CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5291509
8717,COc1ccccc1CN(C)Oc1ccc(OCCF)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.13347292
8718,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(N(C)C)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84741277
8719,CSc1ccc(C(=O)NCCOc2ccc(ON(C)S(C)(=O)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.017600315
8720,CSc1ccc(C=CCCOc2ccc(ON=S(C)(=O)O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.048213925
8721,CSc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3cc4ccccc4o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.63894236
8722,Cc1cc(OCCNC(=O)Cc2ccc(CF)cc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.014115244
8723,Cc1cc(OCCNC2CC(=O)C=C2c2ccccc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.12857804
8724,Cc1cc(OCCNCc2cccs2)ccc1OCNS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.12798204
8725,Cc1cc(OCCNS(C)(=O)=O)ccc1OC(=O)CCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.040151488
8726,Cc1ccc(-c2cccc(CN3CCN(CCCCl)CC3)c2)s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.630656
8727,FC(F)(F)c1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccccc4)ccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8132746
8728,FCCCN1CCN(Cc2cccc(-c3cc(-c4ccccc4)no3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6218742
8729,O=C(Nc1cccc(Cl)c1)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.29891485
8730,O=C(Nc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2)Nc1cccc2ccccc12,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32186007
8731,O=C1C(c2ccccc2)=CCN1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.74948317
8732,CC(C)(Oc1ccccc1)c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69819885
8733,CC(C)Oc1ccccc1N1CCN(CCN2CCC(NC(=O)Nc3ccc(F)c(F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7509475
8734,CCCOc1ccc(OCN=S(C)(=O)O)c(N2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18704093
8735,CCCOc1ccc(ON2CCN(Cc3ccccc3OC)CC2)c(C(=O)OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23050055
8736,CCCOc1ccc(ON2CCN(c3ccccc3CCC)CC2)c(C(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1973759
8737,CCCOc1ccc(OS(C)(=O)=O)c(CCCc2ccc(OC3CCCNC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19164757
8738,CCCOc1ccc(OSCC)c(-c2ccccc2F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16458587
8739,CCCc1csc(C(=O)NCCOc2ccc(OC)c(S(C)(=O)=O)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.047806904
8740,CCOOc1ccc(OCCN2CCN(c3ccccc3OC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.76922673
8741,CCOc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6562217
8742,CCSCCCOc1ccc(OC)c(C(C)CCc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19623074
8743,COC(=O)c1cccc(-c2cc(C(=O)NCCN3CCN(Cl)CC3)ccc2C)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.22987863
8744,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(S(=O)(=O)O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6972257
8745,COC1CCN(CCN2CCN(c3ccccc3-c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84582216
8746,COC1CCN(CCN2CCN(c3ccccc3-n3cc(Br)c4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6740138
8747,COC1CCN(CCN2CCN(c3ccccc3C3Cc4ccc(F)cc4NC3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75527775
8748,COCCCN1CCN(Cc2cccc(-c3cc4ccccc4n3C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6226843
8749,COCCCOc1ccc(OC)c(N2CCCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2928897
8750,COc1cc2c(cc1O)CCN1Cc3c(COCc4cccc(C#N)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.740826
8751,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc(O)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7160639
8752,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccoc4COc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65086854
8753,COc1ccc(Br)cc1C(=O)NC1CCN(CCN2CCN(c3ccccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83393073
8754,COc1ccc(NC(=O)c2ccccc2N2CCN(CCN3CCC(C)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5323956
8755,COc1ccc(OCCCCOc2ccccc2C2CCCCC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.14043386
8756,COc1ccc(OCCCCSc2ccc(F)cc2)cc1NC(=O)CSc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.018710347
8757,COc1ccc(OCCCS(=O)(=O)c2cccc(C(C)C)c2)cc1N1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.3284765
8758,COc1ccc(OCCN2CCC(=O)CC2)cc1S(=O)(=O)Cc1ccc(S(C)(=O)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.39712816
8759,COc1ccc(OCCN2CCC(c3ccccc3F)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.65636766
8760,COc1ccc(OCCN=S(C)(=O)O)cc1CCCc1nc2ccccc2s1,[*]CCOc1ccc(O[*])c([*])c1,0.06984031
8761,COc1ccc(OCCNCCCc2ccc(F)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.23581345
8762,COc1ccc(OCCOS(C)(=O)=O)cc1-n1ccc(C2CCCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17729793
8763,COc1ccc(OCCS(C)(=O)=O)cc1NCC1CCC(Oc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.12478696
8764,COc1ccc2ccnc(C3CCN(CCN4CCN(c5ccccc5OC)CC4)CC3)c2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85242546
8765,COc1cccc(CCOc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70545095
8766,COc1cccc(CN2CCN(CCCC(=O)N3Cc4ccccc4C3(C)C)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58004946
8767,COc1cccc(CN2CCN(CCCCNC(=O)C3CCCCC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55986625
8768,COc1cccc(CN2CCN(CCCNC(=O)C3Cc4ccccc4N3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.39890683
8769,COc1cccc(Cc2cc3c(cc2OCc2ccccc2)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6686746
8770,COc1cccc2c1CN1CCc3cc(-c4cccc(C#N)c4)c(CO)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53197217
8771,COc1ccccc1-c1cc(C(=O)NCCN2CCN(C)CC2)ccc1F,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.37823522
8772,COc1ccccc1C(=O)NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7893344
8773,COc1ccccc1N1CCN(CCN2CCC(c3cc(Cl)ccc(=O)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8263227
8774,COc1ccccc1N1CCN(CCN2CCC(c3ccc(C(F)(F)F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7877331
8775,COc1ccccc1N1CCN(CCN2CCC(n3cc(O)c4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8399701
8776,Cc1cc(OCCCN2CCCC(Cc3ccc(F)cc3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.46727577
8777,Cc1cc(OCCNC(=O)OCC2CCc3ccccc3C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.19315323
8778,Cc1cc(OCCNC(=O)c2ccc(C(C)C)cc2)ccc1ON1CCC(=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.07849233
8779,ClCCCN1CCN(Cc2cccc(CNc3ncc(-c4ccccc4)o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49880788
8780,Clc1cccc(CN2CCN(CCCC3CCCCC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7171331
8781,FCCCN1CCN(Cc2cccc(-c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.76126844
8782,Fc1cccc(CN2CCN(CCCCc3cc4ccccc4s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7251725
8783,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)N1CCCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5975171
8784,O=C(CO)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5764206
8785,O=C(Cc1cccc(CN2CCN(CCCCl)CC2)c1)NC1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3442379
8786,O=[N+]([O-])c1cccc(NCc2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4228473
8787,O=c1ccc2cc(-c3cccc(CN4CCN(CCCF)CC4)c3)ccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7161121
8788,Oc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(Cc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69786024
8789,Oc1cc2cc(-c3cccc(CN4CCN(CCCCl)CC4)c3)ccc2[nH]1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.682937
8790,CC(=O)OCCOc1ccc(ONS(C)(=O)=O)c(C(=O)CCc2ccc(C)s2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.021880345
8791,CC(C)OC1CCN(CCN2CCN(c3ccccc3-c3cc(-c4ccccc4)ncn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7500814
8792,CC(C)c1ccccc1N1CCN(CCN2CCC(CNC(=O)c3cc4ccccc4s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7131031
8793,CC1Cc2ccccc2N1C(=O)CCCN1CCN(Cc2cccc(OC(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6769841
8794,CCCOc1ccc(OC)c(N2CCC(NC(C)=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18639281
8795,CCCOc1ccc(OCN)c(NC(=O)c2ccc(Cl)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.039218694
8796,CCCOc1ccc(OCN2CCC(c3ccccc3OC)CC2)c(C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.52004874
8797,CCCOc1ccc(ON(C)CCc2ccccc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23243657
8798,CCCOc1ccc(ON=S(C)(=O)O)c(NCC2CCc3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3394776
8799,CCCOc1ccc(ON=S(C)O)c(N2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38577175
8800,CCCOc1ccc(ONC(=O)c2ccc3c(c2)NC(=O)CC3)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14329474
8801,CCCOc1ccc(OS(C)(=O)=O)c(N2CCN(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07596734
8802,CCCOc1ccc(OS(N)(=O)=O)c(CCOc2ccc(C(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.096919715
8803,CCOc1cc2c(cc1OC)CCN1Cc3c(Cc4cccc(C#N)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5394116
8804,CCOc1cccc(CN2CCN(CCCc3ccccc3O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.47558674
8805,CCOc1ccccc1N1CCN(CCN2CCC(c3c[nH]c4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7753512
8806,COC1CCN(CCN2CCN(c3ccccc3NC(=O)Cc3cc(O)nc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.34638113
8807,COCCCN1CCN(Cc2cccc(C(=O)c3ccc4ccccc4n3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5015897
8808,COCCCN1CCN(Cc2cccc(N3c4ccccc4CC3(C)C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6570525
8809,COCCCN1CCN(Cc2cccc(Oc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5947922
8810,COCCOc1ccc(OC)c(CNC(=O)c2ccc(Cl)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.021811917
8811,CON1CCN(CCNC(=O)c2ccc(CO)c(-c3ccccc3[N+](=O)[O-])c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29706198
8812,COOc1ccc(OCCN2CCC(Cc3ccc4c(c3)CCC(=O)N4)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.46608165
8813,COOc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.64542854
8814,COOc1ccc(OCCN2CCC(c3noc4cc(F)ccc34)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.7391655
8815,COc1cc2c(cc1-c1ccc3cc[nH]c3c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7332297
8816,COc1cc2c(cc1Cl)CCN1Cc3c(C=O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6337605
8817,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)OCc3ccc([N+](=O)[O-])cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3782482
8818,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc[nH]4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7193465
8819,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)c4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5343906
8820,COc1ccc(CCc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8322095
8821,COc1ccc(OCCCC2CCN(c3ccccc3OC)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.37131894
8822,COc1ccc(OCCCCCSc2ccccc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.10764633
8823,COc1ccc(OCCCF)cc1CN1CCN(C(=O)c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.10161782
8824,COc1ccc(OCCN2CCC(OC(=O)c3ccccc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.44479612
8825,COc1ccc(OCCN2CCN(Cc3ccc(C(C)(C)C)cc3)CC2)cc1SO,[*]CCOc1ccc(O[*])c([*])c1,0.4752567
8826,COc1ccc(OCCNC(=O)c2ccc(Cl)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.022911452
8827,COc1ccc(OCCNCCc2ccc3c(c2)CCC(=O)N3)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1393346
8828,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28046602
8829,COc1ccc(OCCS(C)(=O)=O)cc1NCCc1ccc2c(c1)CCC(=O)N2,[*]CCOc1ccc(O[*])c([*])c1,0.13281979
8830,COc1ccc(OCCS(C)(=O)=O)cc1OC1=CC=CCC2CCCCC2C1,[*]CCOc1ccc(O[*])c([*])c1,0.09925913
8831,COc1ccc(Oc2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.92398846
8832,COc1cccc(C(=O)NCCCCOc2ccc(OC)c(S(C)(=O)=O)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0492079
8833,COc1cccc(CCNCCOc2ccc(OSC)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24735773
8834,COc1cccc2c1CN1CCc3cc(OC=Cc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70238465
8835,COc1ccccc1N1CCN(CCCOc2ccc(ON=S(C)(=O)O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7448231
8836,CSc1ccc(C2CCN(CCOc3ccc(ON=S(C)(=O)O)c(C)c3)C2=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.18749382
8837,Cc1cc(OCCF)ccc1ONC=O,[*]CCOc1ccc(O[*])c([*])c1,0.05394854
8838,Cc1cc(OCCN2CCC(NS(=O)(=O)c3cccc(C(C)C)c3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.66439766
8839,Cc1cc(OCCNC2CCC(Oc3ccc4c(c3)NC(=O)CC4)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.29936448
8840,Cc1cc(OCCNc2ccccc2)ccc1OCN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.19956826
8841,Fc1ccc(-c2cccn2C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81258124
8842,NS(=O)(=O)Cc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55782485
8843,O=C(CCCCN1CCN(Cc2cccc(Cl)c2)CC1)c1cccs1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7243091
8844,O=C(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1ccc(O)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.46913385
8845,O=Cc1coc(-c2cccc(CN3CCN(CCCC(F)(F)F)CC3)c2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51062363
8846,OCCc1ccc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8175306
8847,Oc1cc2c(cc1CC1CCCCN1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67279106
8848,Oc1nc2cc(F)ccc2n1C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84471697
8849,C=Cc1ccccc1-c1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6189887
8850,CC(C)Oc1ccccc1N1CCN(CCN2CCC(n3nc(-c4ccccc4)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8231361
8851,CC(C)c1ccccc1N1CCN(CCN2CCC(NC(=O)c3cc4ccccc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69339067
8852,CCCC1CCCC1c1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7133651
8853,CCCOc1ccc(OC)c(C(=O)Nc2ccccc2OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.024117228
8854,CCCOc1ccc(OC)c(CN2CCN(C(=O)c3ccc(C)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06044937
8855,CCCOc1ccc(OC)c(CN2CCN(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.097962335
8856,CCCOc1ccc(OCCOC(=O)c2ccccn2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.047754947
8857,CCCOc1ccc(ON2CCC(c3ccccc3)CC2)c(C(=O)OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14924836
8858,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3ccc(F)cc3F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28645685
8859,CCCOc1ccc(OSC)c(C=Cc2ccccc2OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1269063
8860,CCCOc1ccc(OSC)c(NC(=O)COc2ccccc2N2CCNC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10511048
8861,CCOc1ccc(C2CCN(Oc3ccc(OCCOS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.19716579
8862,CCOc1cccc2c1CN1CCc3cc(-c4ccccc4)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6957833
8863,CCc1ccc(S(=O)(=O)NCCOc2ccc(ON)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.037318762
8864,CN(C)c1ccc(Cc2cc3c(cc2O)C2Cc4cccc(OCc5ccccc5)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6422438
8865,CNc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6226419
8866,COC(=O)c1cc(OCCCCCc2ccc3c(c2)NC(=O)CC3)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.16476157
8867,COC1CCN(CCN2CCN(c3ccccc3-c3cnc4cc(Cl)ccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7327794
8868,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccc(N(C)C)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6530159
8869,COC1CCN(CCN2CCN(c3ccccc3Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8139777
8870,COC1CCN(CCN2CCN(c3ccccc3NCc3ccc(O)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.44797888
8871,COCCCN1CCN(Cc2cccc(C(=O)N3C(=O)COc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.47835454
8872,COCCOc1ccc(OC)c(Cn2cccn2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10055669
8873,COCCOc1ccc(OC)c(NC(=CCOc2ccccc2)c2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.087385245
8874,CON1CCN(CCNC(=O)c2ccc(O)c(-c3cccc4nc(O)oc34)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29332253
8875,COOc1ccc(OCCC(O)COc2ccc3c(c2)NCCC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.18653107
8876,COc1cc(F)cc(-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74522305
8877,COc1cc2c(cc1O)C1Cc3cccc(CC=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72966665
8878,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc5cc(C#N)ccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62479496
8879,COc1cc2c(cc1O)CCN1Cc3c(cccc3C3CC3C)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.80205345
8880,COc1cc2c(cc1OC)C1Cc3cccc(OC(=O)Nc4cccc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32964134
8881,COc1ccc(CNCCOc2ccc(ONc3ccc(SC)cc3)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.11885587
8882,COc1ccc(Cc2cccc3c2CN2CCc4cc(OCc5ccccc5)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7026832
8883,COc1ccc(OCCC(=O)COc2ccccc2)cc1N1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.116605416
8884,COc1ccc(OCCN2CCC(c3ccccc3OC3CC3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.7432935
8885,COc1ccc(OCCN=S(C)(=O)O)cc1CCCc1ccc(F)cn1,[*]CCOc1ccc(O[*])c([*])c1,0.07036748
8886,COc1ccc(OCCNS(C)(=O)=O)cc1NC(=O)COc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.008887992
8887,COc1cccc(CN2CCN(CCCc3cc4cc(OC)ccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64496243
8888,COc1cccc(CN2CCN(CCCc3ccc4sccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6207454
8889,COc1cccc2c1CN1CCc3cc(NC(=O)Nc4cccc(Cl)c4Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34751043
8890,COc1ccccc1C1CCN(Oc2ccc(OCCNS(=O)(=O)O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21774653
8891,COc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3ccc4ncccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7620422
8892,COc1ccccc1N1CCN(CCN2CCC(c3cccc(-c4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9091335
8893,COc1ccccc1N1CCN(CCN2CCC(n3cnc(-c4ccc(F)cc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.823998
8894,CS(=O)(=O)c1cc(OCCNCc2ccccc2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.35542232
8895,CSc1cccc(CN2CCN(CCCN3C(=O)CCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7636637
8896,C[N+]CC(=O)Oc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50555044
8897,Cc1cc(OCCCC2CCc3ccccc3C2=O)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.25429377
8898,Cc1cc(OCCCN2CCC(Cc3ccc4ccccc4c3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.6583389
8899,Cc1cc(OCCNC(=O)COc2ccccc2)ccc1ONCC1CCCO1,[*]CCOc1ccc(O[*])c([*])c1,0.028620385
8900,Cc1cc(OCCNCc2ccccc2)ccc1OCl,[*]CCOc1ccc(O[*])c([*])c1,0.33261722
8901,Cc1cc(OCCNc2ccccc2OCC(F)(F)F)ccc1OS(=N)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.04999254
8902,Cc1cc(OCC[SH](C)(=O)O)ccc1ON1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21851991
8903,FC(F)(F)c1ccc(Oc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84700567
8904,Nc1ccc2cccc(-c3cccc(CN4CCN(CCCF)CC4)c3)c2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6056008
8905,O=C1N(Cc2cccc(CN3CCN(CCCF)CC3)c2)CCN1c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64534
8906,O=C1c2ccccc2S(=O)(=O)N1c1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6299449
8907,OCCC1CCN(CCN2CCN(c3ccccc3-c3cc(O)nc4cc(O)ccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7009584
8908,Oc1cccc(CN2CCN(CCCCc3cccc4occc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.71025014
8909,CC(=O)Cc1ccc(S(=O)(=O)NCCOc2ccc(OS(C)(=O)=O)c(C)c2)nc1,[*]CCOc1ccc(O[*])c([*])c1,0.02385976
8910,CC(=O)N1c2ccccc2CCC1c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6444001
8911,CCCCNCCOc1ccc(OOC)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7462171
8912,CCCOc1ccc(OC)c(N2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39568302
8913,CCCOc1ccc(OCF)c(CN2CCN(CC(=O)N3c4ccccc4CC3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7988213
8914,CCCOc1ccc(OCN)c(N2CCN(Cc3cccc(NC(C)=O)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.45105278
8915,CCCOc1ccc(OCN2CCC(C(N)=O)CC2)c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32203308
8916,CCCOc1ccc(OF)c(CNS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06605893
8917,CCCOc1ccc(ON2CCC(C(=O)c3ccc(F)cc3)CC2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19322285
8918,CCCOc1ccc(ON=S(C)(=O)O)c(C2CCC(Cc3ccc4c(c3)NC(=O)CCC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24651356
8919,CCCOc1ccc(ON=S(C)(=O)O)c(CCCCc2cccc3c2CCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26669073
8920,CCCOc1ccc(ONCC2CCc3ccccc3O2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.50087196
8921,CCCOc1ccc(OOC)c(NC(=O)c2ccc3c(c2)N(CC)C(=O)c2ccccc2CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07712529
8922,CCCOc1ccc(OOC)c(NC2CCN(C(=O)c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08982665
8923,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(c3ccc(SC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2710885
8924,CCCc1cccc(-c2cc(OCCF)ccc2OOC)c1OC,[*]CCOc1ccc(O[*])c([*])c1,0.15266818
8925,CCOc1cccc2c1CN1CCc3cc(C)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69545555
8926,CCOc1ccccc1N1CCN(CCN2CCC(Cc3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77443093
8927,CCc1cc2c(cc1-c1ccncc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6197082
8928,COC(=O)NCc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50891817
8929,COC1CCN(CCN2CCN(c3ccccc3-c3cccc(-c4ccc(O)cc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7795018
8930,COC1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84649205
8931,CON1CCN(CCNC(=O)c2ccc(C)c(-c3cccs3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30059832
8932,COOc1ccc(OCCC(=O)COc2ccc3c(c2)NCCC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.148039
8933,COc1cc2c(cc1Cc1ccc(C#N)cc1)CCN1Cc3c(cccc3Oc3c(OC)cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63464034
8934,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc(C#N)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6781511
8935,COc1ccc(-c2cc(C(=O)NCCN3CCN(OC)CC3)ccc2OC(C)=O)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.28051135
8936,COc1ccc(C(=O)Nc2ccccc2N2CCN(CCN3CCC(C)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.39516515
8937,COc1ccc(COc2ccc(-c3cccc4c3CN3CCc5cc(OC)c(OC)cc5C3C4)cc2)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59998053
8938,COc1ccc(OCCC(=O)Cc2ccc3c(c2)NC(=O)CC3)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.18295532
8939,COc1ccc(OCCC(F)CCc2ccc3c(c2)NC(=O)CC3)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.16322643
8940,COc1ccc(OCCCF)cc1N=S(C)(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07788038
8941,COc1ccc(OCCF)cc1S(=O)(=O)Cc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.14410517
8942,COc1ccc(OCCN2CCC(F)C2)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5450411
8943,COc1ccc(OCCS(C)(=O)=O)cc1C(F)Cc1ccc(C2CCCCN2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.15560855
8944,COc1ccc(OCCS(C)(=O)=O)cc1C1CCC(Cc2ccc3c(c2)NC(=O)CC3)CC(=O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.30207273
8945,COc1ccc2c(NC(=O)c3cccc4c3CN3CCc5cc(OC)c(OC)cc5C3C4)cccc2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.28985438
8946,COc1cccc(CN2CCN(CCCc3cnc(-c4ccccc4)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61308414
8947,COc1cccc2c1CN1CCc3cc(-c4ccc(CNC(C)=O)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49765706
8948,COc1cccc2c1CN1CCc3cc(C)c(N)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7165676
8949,COc1cccc2c1CN1CCc3cc(C4CCCCC4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5551384
8950,COc1cccc2c1CN1CCc3cc(CNCc4cccc(C#N)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5872148
8951,COc1cccc2c1CN1CCc3cc(Cc4cccc(C#N)c4)c(CO)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56097895
8952,COc1ccccc1N1CCN(CCN2CCC(n3cc(Cl)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.88197225
8953,CSCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6557828
8954,Cc1cc(OCCF)ccc1OCNCc1ccc(S(C)(=O)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.0534783
8955,Cc1cc(OCCN2CCC(Cc3ccccc3)CC2)ccc1OCS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5408586
8956,Cc1cc(OCCN2CCC(NCc3ccccc3)C2=O)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.27638942
8957,Cc1cc(OCCN2CCC(c3ccccc3OC3CCC3)C2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.54620844
8958,Cc1cc(OCCN2CCCC(Cc3ccccc3)C2)ccc1ON=S(=O)(O)O,[*]CCOc1ccc(O[*])c([*])c1,0.3889827
8959,Cc1cc(OCCN2CCOC(CCc3ccc(F)cc3)C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.30058423
8960,Cc1cc(OCCN=S(C)(=O)O)ccc1OCCCc1ccccc1OC1CCNC1,[*]CCOc1ccc(O[*])c([*])c1,0.22349134
8961,Cc1cc(OCCNC(=O)c2ccc(CCCF)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.03651026
8962,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(c2ccc(OC3CCCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19998235
8963,Cc1cccc(CN2CCN(CCCN3C(=O)c4ccccc4C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62486535
8964,FC(F)(F)c1cccc(CN2CCN(CCCc3ccc(Cl)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.696824
8965,N#Cc1ccc2[nH]cc(-c3cc4c(cc3O)C3Cc5cccc(O)c5CN3CC4)c2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72301894
8966,O=C(Cc1cccc(CN2CCN(CCCF)CC2)c1)c1cc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65742326
8967,Oc1cccc2c1CN1CCc3cc(-c4ccco4)c(Br)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6755018
8968,CC(=O)Nc1cccc(CC2CCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3464028
8969,CC(O)=Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74249697
8970,CC1CCCN1c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6300473
8971,CCCCN1CCN(Cc2cccc(C(=O)OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.34584823
8972,CCCOc1ccc(ONCCCc2ccccc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15554625
8973,CCCOc1ccc(ONS(C)(=O)=O)c(NCCc2ccc(S(C)(=O)=O)c3ccccc23)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09609522
8974,CCCOc1ccc(OOC)c(CNC(=O)c2ccc(N3CCN(C)CC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20545536
8975,CCCOc1ccc(OOC)c(OC(C)COc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31064263
8976,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)Cc2ccc3c(c2)N(CCC)C(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05490249
8977,CCCc1cc2c(cc1Oc1cccc(OC)c1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7576152
8978,CCN1CCN(Oc2ccc(OCCN=S(C)(=O)O)cc2C)C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.1322482
8979,CCOc1cc2c(cc1O)C1Cc3cccc(CNc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5842189
8980,CCOc1cc2c(cc1OC)CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6518855
8981,CCOc1cccc(Cc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71640515
8982,CCOc1ccccc1C1CCN(CCOc2ccc(OC)c(NS(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6233849
8983,CCOc1ccccc1C1CCN(CCOc2ccc(OOC)c(C)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.5164246
8984,COC(=O)C1(c2cccc(CN3CCN(CCCCl)CC3)c2)Cc2ccccc2C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5479723
8985,COC(=O)c1cc2c(cc1OC)C1Cc3cccc(Cc4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38721195
8986,COC(=O)c1cc2c(cc1OCc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53600365
8987,COC1CCN(CCN2CCN(c3ccccc3-c3ccc([N+](=O)[O-])cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6342114
8988,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3cccc4ncccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6755379
8989,COC1CCN(CCN2CCN(c3ccccc3C3CCC(NC(=O)c4ccccc4)CC3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78984314
8990,COCCCN1CCN(Cc2cccc(CN3CCc4cc(OC)ccc4C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6759226
8991,COc1cc2c(cc1-c1ccc(COC(C)=O)cc1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38606584
8992,COc1cc2c(cc1O)C1Cc3cccc(-c4cccc(OCc5[nH]cc6ccccc56)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48716775
8993,COc1cc2c(cc1O)C1Cc3cccc(COC4CCCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7800321
8994,COc1cc2c(cc1O)CCN1Cc3c(COCc4ccc(CN(C)C)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7542914
8995,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccccc3Cc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63567734
8996,COc1cc2c(cc1OC)C1Cc3cccc(Cc4cc(C)c[nH]4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7443595
8997,COc1cc2c(cc1OC)C1Cc3cccc(NC(=O)c4cc5ccccc5[nH]4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.2730018
8998,COc1ccc(NC(=O)c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36491612
8999,COc1ccc(OCCC(N)=O)cc1C1CCN(CCc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5876082
9000,COc1ccc(OCCC2CCC(NC(=O)c3ccc(SC)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06138781
9001,COc1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1CS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.59716046
9002,COc1ccc(OCCS(N)(=O)=O)cc1N1CCC(Cc2ccc(C(C)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.16626325
9003,COc1ccc2cn(C3CCN(CCN4CCN(c5ccccc5OC)CC4)CC3)cc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8131885
9004,COc1cccc(C(=O)NC2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78166676
9005,COc1cccc(CN2CCN(CCCCNC(=O)c3cc4cccc(OC)c4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5642114
9006,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(OC)CC2)cc1N,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33869687
9007,COc1ccccc1CC1CCN(Oc2ccc(OCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.35713536
9008,COc1ccccc1N1CCN(COc2ccc(OCCNC(=O)CCc3ccccc3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4545952
9009,COc1ccccc1N1CCN(Oc2ccc(OCCCn3cccn3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28515056
9010,CS(=O)(=O)OOc1ccc(OCCF)cc1N1CCN(CCc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6508768
9011,CSc1ccc(C2(O)CCN(CCOc3ccc(OS(=O)(=O)O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.47320905
9012,Cc1cc(OCCNC(=O)COc2ccc3c(c2)NC(=O)C3)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.04880151
9013,Cc1cc(OCCNC2CCC(Oc3ccc(Cl)cc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.14269303
9014,Cc1cc(OCCNCCc2ccc3c(c2)SCCC(=O)N3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13404228
9015,Cc1cc(OCCOS(C)(=O)=O)ccc1OC(C)COc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.22818603
9016,Cc1cc(OCCSC(N)=O)ccc1ON1CCOC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.10142478
9017,ClCCCN1CCN(Cc2cccc(-c3cc4ccccn4n3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6410698
9018,FC(F)(F)c1ccccc1N1CCN(CCN2CCC(c3cccnn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8170144
9019,FCCCN1CCN(Cc2cccc(-c3ccc(-c4cccs4)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6765529
9020,Fc1ccc(-c2cccnc2-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70293754
9021,N#Cc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8398387
9022,N#Cc1ccccc1N1CCN(CCN2CCC(Cc3cc4ccccn4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.783767
9023,O=C(C=Cc1ccccc1)NCCCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67829645
9024,Oc1cccn1C1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8171268
9025,CC1(C)Cc2ccccc2C(=O)N1CCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5862214
9026,CC1CC(=O)N(c2cccc(CN3CCN(CCCCl)CC3)c2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65288913
9027,CC1Cc2ccccc2C(=O)N1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6536466
9028,CCCOc1ccc(OCS(C)(=O)=O)c(N2CCC(c3ccc(OC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34114873
9029,CCCOc1ccc(OOC)c(CNC(=O)c2c(OC)cccc2N2CCN(C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.365554
9030,CCCOc1ccc(OS(C)(=O)=O)c(C=Cc2ccccc2OC2CCCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20996378
9031,CCCOc1ccc(OS(N)(=O)=O)c(NCC2CCc3ccc(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.42442802
9032,CCCOc1ccc(OSC)c(CF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.103772916
9033,CCCOc1ccc(OSC)c(CN2CCC(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.61865026
9034,CCCOc1cccc2c1CN1CCc3cc(OCc4ccccc4)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7735786
9035,CNC(=O)CCOc1ccc(OC)c(N2CCC(Cc3ccc4c(c3)NC(=O)CCC4)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16084667
9036,CNC(=O)c1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4736521
9037,COC(=O)C(=O)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4088261
9038,COC(=O)Nc1ccc(COc2cc3c(cc2OC)CCN2Cc4c(cccc4OC)CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.31639037
9039,COCCCN1CCN(Cc2cccc(-c3cc(-c4ccc(Cl)cc4)no3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5334204
9040,COCc1cc2ccccc2cc1Cc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7460593
9041,COc1cc(C(=O)NCCN2CCN(C)CC2)ccc1-c1ccccc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31074673
9042,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1S(=O)(=O)O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.24575944
9043,COc1cc2c(cc1-c1[nH]cc3ccccc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71738595
9044,COc1cc2c(cc1O)C1Cc3cccc(C(C)c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7324177
9045,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccc5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6879951
9046,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc5cc(C=O)ccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6374599
9047,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc5cccc(OC)c5c4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6671489
9048,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(-c4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56374633
9049,COc1ccc(C(=O)NCCN2CCN(N)CC2)cc1-c1ccc(C)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.12801184
9050,COc1ccc(OCCC2CCN(Cc3ccccc3C)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5826546
9051,COc1ccc(OCCCCNC(=O)c2cccc(S(C)(=O)=O)c2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.0650822
9052,COc1ccc(OCCCF)cc1CN1CCCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7312418
9053,COc1ccc(OCCF)cc1NS(=O)(=O)c1cc(C(C)C)ccc1C=O,[*]CCOc1ccc(O[*])c([*])c1,0.050853036
9054,COc1ccc(OCCN2CCC(C(=O)c3ccccc3)CC2)cc1S(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.4685279
9055,COc1ccc(OCCN2CCC(CCc3ccccc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.6869087
9056,COc1ccc(OCCN2CCN(c3ccc(CC(F)(F)F)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.7239443
9057,COc1ccc(OCCN=S(C)(=O)O)cc1-c1ccc(CCc2ccccc2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06465178
9058,COc1ccc(OCCN=S(C)(=O)O)cc1C1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.1452766
9059,COc1ccc(OCCNCc2ccccc2)cc1NS(=O)(=O)c1cccc(OC(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2208545
9060,COc1ccc(OCCOS(C)(=O)=O)cc1CCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.110637896
9061,COc1ccc(OCCSCCCc2ccc3c(c2)NC(=O)CC3)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2583396
9062,COc1cccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2OC)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27897653
9063,COc1cccc(CO)c1-c1cc2c(cc1O)CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67450327
9064,COc1cccc2c1CN1CCc3cc(-c4ccc(CC#N)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72113955
9065,COc1cccc2c1CN1CCc3cc(-c4cccc(Br)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66706043
9066,COc1ccccc1-c1cc(C(=O)NCCN2CCN(CO)CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32566294
9067,COc1ccccc1C1CCN(c2cc(OCCNS(C)(=O)=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.33640188
9068,COc1ccccc1N1CCN(CCN2CCC(NC(=O)C=Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8283758
9069,COc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3cc4ccc(F)cc4nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66235805
9070,CSc1ccc2cc1NC(=O)CCC(CNCCOc1ccc(OS(C)(=O)=O)c(C)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.08523443
9071,Cc1cc(OCCF)ccc1OCS(=O)(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.036713902
9072,Cc1cc(OCCN2C(=O)CCc3ccc(OCC4CCC4)cc32)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.20296723
9073,Cc1cc(OCCN2CCC(c3ccc(Cl)cc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.7032735
9074,Cc1cc(OCCNS(C)(=O)=O)ccc1OC(=O)CCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.07759168
9075,Cc1cc(OCCOc2ccc(C(C)C)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.05432693
9076,Cc1cccc(CN2CCN(CCCC3=CC(=O)CC3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56608367
9077,ClCCCN1CCN(Cc2cccc(Cc3ccco3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59375846
9078,Clc1ccccc1N1CCN(CCN2CCC(c3csc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8308089
9079,O=C1C=CCC1C(=O)CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6789739
9080,O=Nc1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6184038
9081,O=c1c(C(F)(F)F)cc(C(F)(F)F)cn1CCCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5954652
9082,O=c1ccc2ccccc2c(=O)n1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56195897
9083,Oc1cccc2c1CN1CCc3cc(CNc4cc(Cl)cc(Cl)c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48233572
9084,CCC(=O)NCc1cc2c(cc1C)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.33668226
9085,CCCOc1ccc(OC(N)=O)c(C2CCN(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.51681054
9086,CCCOc1ccc(OC)c(NC(=O)C2CCN(Cc3ccc(Cl)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31360707
9087,CCCOc1ccc(ON)c(N2CCN(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.77165943
9088,CCCOc1ccc(ON2CCN(c3cccc(C(C)C)n3)CC2)c(OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2835678
9089,CCCOc1ccc(ON=S(C)(=O)O)c(CN2CCC(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.43514657
9090,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3482428
9091,CCCOc1ccc(ON=S(C)(=O)O)c(NCCc2cccc3c2NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15877256
9092,CCCOc1ccc(ONC(C)=O)c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15273306
9093,CCCOc1ccc(ONC=S(C)(=O)O)c(N2CCCC(Oc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17256705
9094,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3ccccc3OC3CCC3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29803318
9095,CCCOc1ccc(OS(C)(=O)=O)c(N2CCN(c3ccccc3OCC(F)(F)F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2945409
9096,CCNC(=O)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50002176
9097,CCOCCCN1CCN(Cc2cccc(Cc3cccs3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58375055
9098,CCOc1ccc(CN2CCN(CCOc3ccc(OC)c(SC)c3)CC2)o1,[*]CCOc1ccc(O[*])c([*])c1,0.4211036
9099,CCc1ccc(C2CCN(Oc3ccc(OCCS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.21299744
9100,CCc1ccc(CCCc2cc(OCCS(N)(=O)=O)ccc2OC)c2ccccc12,[*]CCOc1ccc(O[*])c([*])c1,0.10932139
9101,CN(C)C(=O)NC1CCN(CCN2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.58329046
9102,CNOc1ccc(OCCCS(=O)(=O)c2ccc(C(C)C)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.06342113
9103,COC1CCN(CCN2CCN(c3ccccc3-c3nc(O)nc4ccc(O)cc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69765425
9104,COCCCN1CCN(Cc2cccc(C3Oc4ccccc4NC3(C)C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53830975
9105,COCCOc1ccc(OC)c(-c2ccccc2OCC2CCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2625535
9106,COc1cc(C)ccc1OCc1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67671394
9107,COc1cc2c(cc1CC(F)(F)F)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7767482
9108,COc1cc2c(cc1O)C1Cc3cccc(C(=O)NCc4cccc(C)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.465985
9109,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccccc3CNc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46439734
9110,COc1ccc(C(=O)NCCN2CCN(F)CC2)cc1-c1ccc(C)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.14905502
9111,COc1ccc(OCCC(=O)CCc2ccccc2)cc1N1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29885495
9112,COc1ccc(OCCCCN2CCN(c3ccccc3OC)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.9302694
9113,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCCS4)CC2)cc1O[SH](C)(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.52967453
9114,COc1ccc(OCCN=S(C)(=O)O)cc1CN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.16289946
9115,COc1ccc(OCCN=S(C)(=O)O)cc1N1C(=O)CC(Cc2ccc(F)cc2)Cc2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.16405974
9116,COc1ccc(OCCNC(C)=O)cc1C(O)CCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.10633524
9117,COc1ccc(OCCNC2CCC(c3ccccc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.24866186
9118,COc1ccc(OCCS(C)(=O)=O)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07057496
9119,COc1cccc(C(C)c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73691
9120,COc1cccc(CNCc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61103565
9121,COc1cccc2c1CN1CCc3cc(C)c(-c4ccc5ccccc5c4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65362334
9122,COc1ccccc1C1CCN(CCN2CCN(c3ccccc3C(C)C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7439165
9123,COc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7669449
9124,COc1ccccc1N1CCN(c2cc(OCCS(C)(=O)=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2911076
9125,CSOc1ccc(OCCN2CCC(c3ccc(F)cc3)C(=O)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5253313
9126,Cc1cc(OCCCN2CCC(Cc3ccc4ccccc4c3)CC2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.576691
9127,Cc1cc(OCCCN2CCC(Cc3ccc4sc(S(C)(=O)=O)cc4c3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.6281715
9128,Cc1cc(OCCN2CCC(CCc3ccc(F)cc3)CC2)ccc1OCS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.57207507
9129,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)CCC(=O)N4)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.49829945
9130,Cc1cc(OCCN=S(C)(=O)O)ccc1OCN,[*]CCOc1ccc(O[*])c([*])c1,0.05097799
9131,ClOCCCN1CCN(Cc2cccc(-c3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7346842
9132,FC(F)(F)C1CCN(CCN2CCN(c3ccccc3-c3cc(-c4cccs4)ccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82869416
9133,Fc1ccc2ccc(Oc3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)nc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.741577
9134,Fc1ccccc1N1CCN(CCN2CCC(c3ncc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67676634
9135,Fc1cnc(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)nc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.86594355
9136,O=C1CCc2cc(-c3cccc(CN4CCN(CCCF)CC4)c3)ccc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.74265546
9137,O=C1c2ccccc2N(c2cccc(CN3CCN(CCCC(F)(F)F)CC3)c2)S1(=O)=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49215075
9138,O=S(O)(=Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)Oc1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6339122
9139,O=[N+](Cc1ccccc1)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60792637
9140,Oc1cccc(CCCCN2CCN(Cc3cccc(Cl)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.8200372
9141,Oc1cccc(Cc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72588485
9142,C#Cc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79878736
9143,CC(=O)NOc1ccc(OCCN2CCC(Oc3ccc4c(c3)NC(=O)CC4)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.4643676
9144,CC(C)Oc1ccccc1-c1cc(C(=O)NCCN2CCN(F)CC2)ccc1F,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3629835
9145,CCCOc1ccc(OC(=O)OCC)c(N2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.116263814
9146,CCCOc1ccc(OCCOc2cccc(CCC)n2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1280055
9147,CCCOc1ccc(OCOc2ccccc2C(C)C)c(NC2CCCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22380291
9148,CCCOc1ccc(ON)c(NC(=O)c2ccc(Cl)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.024153635
9149,CCCOc1ccc(ON2CCN(c3ccccc3OC)CC2)c(C(N)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23415263
9150,CCCOc1ccc(ONS(C)(=O)=O)c(C(F)CCc2ccc(C3CCC(O)(F)C3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13247769
9151,CCCOc1ccc(OOS(C)(=O)=O)c(NCCc2ccc(C(C)C)cn2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.033641636
9152,CCCOc1ccc(OS(C)(=O)=O)c(NC2CCC(Oc3ccc(CC4CCCCC4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10530335
9153,CCCSc1ccccc1N1CCN(CCN2CCC(c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7055248
9154,CCCc1cccc2c1CN1CCc3cc(OCC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78509974
9155,CCOCCCN1CCN(Cc2cccc(C(=O)N3Cc4ccccc4C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5588108
9156,CCOCCCOc1ccc(OC)c(N2CCCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25738028
9157,CCOc1cccc(CN2CCN(CCCc3cccs3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58616924
9158,CCOc1ccccc1C(=O)C1CCN(CCOc2ccc(OC)c(S(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.51183915
9159,CNOc1ccc(OCCNCc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.29650936
9160,COCCOc1ccc(OC)c(N2CCCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3041774
9161,CON1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(-c3ccccc3Cl)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33502874
9162,COOc1ccc(OCCOc2ccccc2CCc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.28173742
9163,COc1cc2c(cc1OC)C1Cc3cccc(-c4c[nH]c5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6578027
9164,COc1cc2c(cc1OC)C1Cc3cccc(-c4cccnc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6063691
9165,COc1ccc(C(=O)NCCN2CCN(O)CC2)cc1-c1cccs1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3342269
9166,COc1ccc(OCCC(=O)Cc2ccc(F)cc2)cc1N1CCN(C=S(C)(=O)O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2060446
9167,COc1ccc(OCCC2CCCCN2CCc2ccccc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.33906037
9168,COc1ccc(OCCCNCC2CCc3ccc(F)cc32)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.34426853
9169,COc1ccc(OCCF)cc1CN1CCC(NS(=O)(=O)c2ccc(C(C)C)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.37137634
9170,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(CC(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24097936
9171,COc1ccc(OCCS(C)(=O)=O)cc1NC(=O)Cc1ccc(OC2CCNCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.045118075
9172,COc1ccc2ccc(CC3CCN(CCOc4ccc(ONC(C)=O)c(C)c4)CC3)cc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.37981224
9173,COc1cccc2c1CN1CCc3cc(-c4cc(CO)ccc4Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.668789
9174,COc1cccc2c1CN1CCc3cc(C(=O)NCc4ccc(F)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49592912
9175,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3cnc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7848028
9176,COc1ccccc1N1CCN(CCN2CCC(COc3cccc(-c4ccccn4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8194666
9177,COc1ccccc1N1CCN(CCN2CCC(c3cc(O)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8834679
9178,Cc1cc(OCCCO)ccc1ON1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.32315496
9179,Cc1cc(OCCCS(=O)(=O)c2ccc(C(C)C)cc2)ccc1ON1CCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.08880404
9180,Cc1cc(OCCCS(C)(=O)=O)ccc1ONC(=O)Cc1ccc(C2CCN(C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.17666195
9181,Cc1cc(OCCF)ccc1ON1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.43356574
9182,Cc1cc(OCCF)ccc1ONC(=O)Cc1ccc2c(c1)CCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.043964013
9183,Cc1cc(OCCN2CC(O)CCc3c(C=O)cccc32)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.28972888
9184,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCC4)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.660665
9185,Cc1cc(OCCN2CCC(Cc3ccc4sccc4c3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.54795396
9186,Cc1cc(OCCN2CCCC(Cc3ccc(OC4CCCNC4)cc3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.36433154
9187,Cc1cc(OCCNC(=O)Sc2ccc(F)cc2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.029077772
9188,Cc1cc(OCCNS(=O)(=O)c2ccc(F)cc2)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.044593845
9189,Cc1cc(OCCNS(=O)(=O)c2ccc(F)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.0420892
9190,Cc1cc(OCCOS(C)(=O)=O)ccc1ONC(=O)C1CCCNC1,[*]CCOc1ccc(O[*])c([*])c1,0.0651835
9191,Cc1cc2c(cc1-c1ccc(O)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6917031
9192,Cc1cc2ccccc2n1-c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62829834
9193,Cc1ccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2Cl)s1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.21402733
9194,Cc1cccc(CN2CCN(CCCc3cccc(C(F)(F)F)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6436659
9195,FC(F)(F)Oc1ccccc1N1CCN(CCN2CCC(c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84876925
9196,Fc1ccnc(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8726516
9197,O=C1CC(CCCN2CCN(Cc3cccc(Cl)c3)CC2)Cc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66499776
9198,O=S(=O)(NCc1cccc(CN2CCN(CCCCl)CC2)c1)c1cccc2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48933646
9199,OCc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)o1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66920185
9200,Oc1cccc(CN2CCN(CCCc3cc4ccccc4s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68068606
9201,CC(=O)N(C)c1ccccc1N1CCN(CCN2CCC(c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6645632
9202,CCCOC(=O)c1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62710404
9203,CCCOc1ccc(OC(N)=O)c(N2CCC(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13529055
9204,CCCOc1ccc(ON)c(N2CCN(C(C)c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32649627
9205,CCCOc1ccc(OOC)c(CNC(=O)c2ccc(CCN3CCCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25707248
9206,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(c3ccc(OC)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2283368
9207,CCCOc1ccc(OS(N)(=O)=O)c(NCCc2ccc(OC3CCCCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13340257
9208,CCCOc1ccc(O[SH](C)(N)=O)c(NCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.091483295
9209,CCCOc1ccc(O[SH]=N)c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28166646
9210,CCOc1ccccc1N1CCCN(c2cc(OCCN)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3138823
9211,CNCCOc1ccc(ONC(=O)COc2ccc(CF)cc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.015746644
9212,COC1CCN(CCN2CCN(c3ccccc3-c3cc4ccccn4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7320772
9213,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(O)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.812502
9214,COC1CCN(CCN2CCN(c3ccccc3-c3cnoc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8082118
9215,COCCCN1CCN(Cc2cccc(Cc3ccc4oc(=O)ccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.612015
9216,COCCOc1ccc(OC)c(C(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05497497
9217,COCCOc1ccc(OC)c(N2CCN(c3ccccc3C(C)=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1689216
9218,COOc1ccc(OCCCS(=O)(=O)Cc2ccc(SC)cc2)cc1CC1CCCN(C)C1,[*]CCOc1ccc(O[*])c([*])c1,0.3430294
9219,COc1cc2c(cc1-c1ccc3c[nH]cc3c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6234898
9220,COc1cc2c(cc1C)CCN1Cc3c(cccc3OCc3cccnc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63152987
9221,COc1cc2c(cc1O)C1Cc3cccc(NC(=O)c4cccc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3756373
9222,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccc(C(C)O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6845475
9223,COc1cc2c(cc1O)CCN1Cc3c(CC(=O)N(C)Cc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5391147
9224,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc(N5CCCCC5)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50861585
9225,COc1cc2c(cc1OC)C1Cc3cccc(-c4c(OC)ccc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68973094
9226,COc1cc2c(cc1OCc1ccc(CO)cc1)C1Cc3cccc(C(=O)Nc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3368727
9227,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(CF)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7944302
9228,COc1ccc(NC2CCN(CCN3CCN(c4ccccc4C(C)=O)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.630647
9229,COc1ccc(OCCCCOc2ccc3c(c2)NC(=O)CC3)cc1CCO,[*]CCOc1ccc(O[*])c([*])c1,0.25554186
9230,COc1ccc(OCCN2CCC(c3ccc(Br)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.61451
9231,COc1ccc(OCCN2CCC(c3cccc(C(C)=O)c3)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.6288241
9232,COc1ccc(OCCNC(=O)c2ccc(SC)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.017054008
9233,COc1ccc(OCCNCCc2ccc(F)cc2)cc1C(=O)NC=O,[*]CCOc1ccc(O[*])c([*])c1,0.0790415
9234,COc1ccc(OCCNCCc2ccc3c(c2)C(=O)CC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.17657734
9235,COc1ccc(OCCNCc2ccccc2)cc1CN=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.29920048
9236,COc1ccc2cccc(COc3cccc4c3CN3CCc5cc(OC)c(OC)cc5C3C4)c2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73053664
9237,COc1cccc(-c2ccc(C(=O)NCCN3CCN(OC)CC3)cc2OC)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.25796393
9238,COc1cccc(-c2ccccc2C(=O)Nc2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.43506894
9239,COc1cccc(CN2CCN(CCCCOc3ccc(F)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6922855
9240,COc1cccc(OC)c1C(=O)Nc1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.44594538
9241,COc1cccc2c1CN1CCc3cc(-c4cccc(CO)c4)c(C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5235107
9242,COc1cccc2c1CN1CCc3cc(CN(C)C)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70874333
9243,COc1ccccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1N,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.39408818
9244,COc1ccccc1C(=O)NCC1CCN(CCN2CCN(c3ccccc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.62274015
9245,COc1ccccc1N1CCN(CCN2CCC(CCc3ccc4nc(O)ccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75529873
9246,COc1ccccc1NC1CCN(CCOc2ccc(OCS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5238307
9247,Cc1cc(OCCC(O)CCc2ccc3c(c2)CC(=O)CC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13251573
9248,Cc1cc(OCCN2CCC(Cc3ccccc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5431511
9249,Cc1cc(OCCN=S(C)(=O)O)ccc1ONCCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.08181757
9250,Cc1cc(OCCNC(=O)COc2ccc3c(c2)NCCC3)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.050712846
9251,Cc1cc(OCCNS(=O)(=O)c2ccc(F)cc2)ccc1ON1CCCC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.094209515
9252,Cc1cc(OCCS(C)(=O)=O)ccc1OCCCc1ccc(C2CCNC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.16578905
9253,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCC(Oc2ccc(CC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21802792
9254,Cc1cc(OCCSCc2ccc(F)cc2)ccc1ON(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.053644508
9255,Cc1cc(OCC[SH](C)N(C)C)ccc1ONC(=O)COc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.023399733
9256,Cc1cccc(-c2cc(C(=O)NCCN3CCN(F)CC3)ccc2F)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2751738
9257,Cc1ccccc1Cc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.707035
9258,Fc1ccc(-c2ccccc2-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67796415
9259,Fc1ccc(C2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)cc1F,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8179591
9260,O=C(Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2)C1CC1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39082998
9261,O=C(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)OCCF,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.43790594
9262,O=Cc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63737136
9263,C#CCC1CCN(CCN2CCN(c3ccccc3-c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8510915
9264,C#Cc1cccc(Cc2cc3c(cc2C)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57309675
9265,CC(=O)NCCOc1ccc(OCN2CCC(C(N)=O)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22654536
9266,CC(=O)NCCOc1ccc(ON2CCCCC2C)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0729651
9267,CC(C)Oc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78806305
9268,CC(C)c1ccccc1N1CCN(CCN2CCC(c3ccccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7495885
9269,CCCOc1ccc(OC(C)=O)c(N2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13438877
9270,CCCOc1ccc(ON2CCC(Cc3ccc(F)cc3)CC2)c(NS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27173308
9271,CCCOc1ccc(ON2CCN(C(=O)O)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06488397
9272,CCCOc1ccc(ON2CCN(CCc3ccccc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6122187
9273,CCCOc1ccc(ONS(C)(=O)=O)c(CCCc2ccc(OC3CCCCN3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1301023
9274,CCCOc1ccc(OOS(C)(=O)=O)c(NCCc2ccc(CCO)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07891635
9275,CCOc1ccccc1C(=O)NCc1cc(OCCOC)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.030252425
9276,CCc1cccc(-c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71562177
9277,COC1CCN(CCN2CCN(c3ccccc3-c3ncc(Cl)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8453571
9278,COCCCN1CCN(Cc2cccc(NCc3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.47391444
9279,COOc1ccc(OCCCCCCc2ccc3c(c2)CC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.2400615
9280,COc1cc2c(cc1-c1ccccc1Cl)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6800656
9281,COc1cc2c(cc1-c1ccco1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6969428
9282,COc1cc2c(cc1-c1cnc[nH]1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6096019
9283,COc1cc2c(cc1CCOc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74214244
9284,COc1cc2c(cc1C[N+](=O)c1ccco1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6479795
9285,COc1cc2c(cc1O)C1Cc3cccc(CC4CC4c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.80897194
9286,COc1cc2c(cc1O)C1Cc3cccc(CCc4ccc(NC(C)=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40299615
9287,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccccc4Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70698506
9288,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(-c4ccccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60282296
9289,COc1ccc(Cl)cc1NS(=O)(=O)c1cc(OCCF)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.076708846
9290,COc1ccc(OCCCNS(C)(=O)=O)cc1N1CCC(Cc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3367812
9291,COc1ccc(OCCN2CCC(c3ccccc3C)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6283703
9292,COc1ccc(OCCN=S(C)(=O)O)cc1C(O)CCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.17448708
9293,COc1ccc(OCCNC(=O)Cc2cc3ccccc3s2)cc1N(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.010757876
9294,COc1ccc(OCCNC(=O)Cc2ccc3ccccc3c2)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.61855626
9295,COc1ccc(OCCNS(=O)(=O)c2cc(F)ccc2F)cc1N1CCCC(C)C1,[*]CCOc1ccc(O[*])c([*])c1,0.30127078
9296,COc1ccc(OCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1CN(C)S,[*]CCOc1ccc(O[*])c([*])c1,0.09760454
9297,COc1ccc(OCCOC(C)=O)cc1CC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.24757728
9298,COc1ccc2ccnc(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)c2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8078352
9299,COc1cccc(CN2CCN(CCCc3ccc(=O)oc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60653794
9300,COc1cccc2c1CN1CCc3cc(OCc4ccco4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6337283
9301,COc1ccccc1CC1CCN(CCOc2ccc(OS(N)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.58198947
9302,COc1ccccc1N1CCN(CCN2CCC(Cc3cccc4nccnc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8458653
9303,COc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3cc(F)ccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79281974
9304,COc1ccccc1N1CCN(CCN2CCC(c3ccc4c(-c5ccccc5)cccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7740452
9305,COc1ccccc1N1CCN(COc2ccc(OCCNC(=O)Cc3ccccc3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.45911598
9306,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC(=O)C4)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6564059
9307,Cc1cc(OCCNC(=O)COc2ccc3ccccc3c2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.013221542
9308,Cc1cc(OCCNCc2ccccc2F)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.120141104
9309,Cc1cc(OCCS(C)(=O)=O)ccc1ONCC(C)Cc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.09371354
9310,Cc1nnc(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)n1-c1ccccc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6982916
9311,Cn1ccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7357408
9312,N#Cc1ccc(CNC(=O)c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49663296
9313,NCCc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75664103
9314,O=C(NCCCCN1CCN(Cc2cccc(Cl)c2)CC1)c1cccnc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.603063
9315,O=C(Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)c1ccc(F)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35452887
9316,O=C(c1ccc(F)cc1)c1ccc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7828922
9317,O=C1C(CCCN2CCN(Cc3cccc(F)c3)CC2)N(c2ccccc2)C(=O)N1c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63320196
9318,O=C1c2ccccc2CC1c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7129675
9319,O=S(=O)(c1ccccc1)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.59475785
9320,Oc1cccc2c1CN1CCc3cc(-c4cccnc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5787868
9321,Oc1cccc2c1CN1CCc3cc(C=Nc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6904601
9322,CC(=O)N(C)c1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4791934
9323,CC(C)Oc1ccccc1N1CCN(CCN2CCC(NC(=O)NCc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8419651
9324,CCCN1CCC(CCOc2ccc(OC)c(CS(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.64594793
9325,CCCOc1ccc(OC(N)=O)c(N2CCCC(Cc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16824915
9326,CCCOc1ccc(OC)c(N2CCC(NS(=O)(=O)c3cccc(Cl)c3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29782078
9327,CCCOc1ccc(OCCCn2cc(CCC)c(OC)c2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15077998
9328,CCCOc1ccc(OF)c(CN2CCN(c3ccccc3OC)C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24235246
9329,CCCOc1ccc(ON2CCN(c3ccccn3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35260263
9330,CCCOc1ccc(OOC)c(CC(=O)Nc2ccccc2OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0061817835
9331,CCNC(=O)c1cc2c(cc1O)C1Cc3cccc(Br)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51834625
9332,CCOc1cccc(CCCOc2ccc(OC)c(S(C)(=O)=O)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09798999
9333,CCOc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75714296
9334,CCOc1ccccc1N1CCN(CCN2CCC(n3ccc(-c4cc(O)ccc4OC)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7854706
9335,CCc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccc(F)cc4)ccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7389156
9336,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3cc4ccccc4s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6986128
9337,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc(C(F)(F)F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.89802563
9338,COCCOc1ccc(OC)c(N2CCN(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7975928
9339,COc1cc2c(cc1O)C1Cc3cccc(Cc4cccc5ccc(C#N)cc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7078515
9340,COc1cc2c(cc1O)C1Cc3cccc(N=S(C)(=O)O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7052158
9341,COc1cc2c(cc1OC)C1Cc3cccc(NCc4cccc(F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4225266
9342,COc1cc2c(cc1OC)C1Cc3cccc(OCc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7401083
9343,COc1cc2c(cc1Oc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7585792
9344,COc1ccc(-c2ccco2)nc1-c1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68603474
9345,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1cccc(Cl)c1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27067408
9346,COc1ccc(C(=O)NCCN2CCN([N+](=O)[O-])CC2)cc1-c1cccc(C)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.18043046
9347,COc1ccc(Cc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7055425
9348,COc1ccc(OCC2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)c(OC)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6103824
9349,COc1ccc(OCCN2CCC(c3cc4ccccc4o3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.6993487
9350,COc1ccc(OCCN=S(C)(=O)O)cc1C(=O)Nc1ccccc1OC(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.022585303
9351,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1CNCC1Cc2ccccc2CO1,[*]CCOc1ccc(O[*])c([*])c1,0.1342635
9352,COc1ccc(OCCNCCc2ccc3c(c2)NC(=O)CC3)cc1C(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1304987
9353,COc1ccc(OCCS(=O)(=O)N=O)cc1CCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.22813514
9354,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(CCc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.31673512
9355,COc1ccc(OCCS(N)(=O)=O)cc1N1CCCCC1Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.23480639
9356,COc1cccc(CN2CCN(CCCC3Oc4ccccc4C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58594024
9357,COc1cccc(COc2cccc3c2CN2CCc4cc(Cl)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5942033
9358,COc1cccc2c1CN1CCc3cc(-c4ccc(O)cc4)c(C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.641177
9359,COc1ccccc1Cc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.36318216
9360,COc1ccccc1N1CCN(CCN2CCC(C(=O)NCc3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82334787
9361,COc1ccccc1N1CCN(CCN2CCC(Cc3ccc4nc(S)[nH]c4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7936246
9362,COc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81404763
9363,COc1ccccc1N1CCN(CCN2CCC(c3nc4sc(C(N)=O)cc4c4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73568165
9364,CSOc1ccc(OCCN2CCC(Oc3ccc(C(C)=O)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.43055806
9365,Cc1cc(C(=O)Nc2cccc(CN3CCN(CCCCl)CC3)c2)sc1-c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.23364393
9366,Cc1cc(OCCN)ccc1ON1CCC(COc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29738966
9367,Cc1cc(OCCN2CCCC(c3ccccc3)C2)ccc1OCS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4246374
9368,Cc1cc(OCCNCCc2ccc3c(c2)CCC(=O)N3)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13849008
9369,Cc1cc(OCCNCc2cccs2)ccc1ONS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06826999
9370,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccsc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69729763
9371,Cc1nc(=O)c2ccccc2n1-c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5856435
9372,ClCCCN1CCN(Cc2cccc(-c3cc(-c4ccccc4)on3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62398833
9373,ClCCCN1CCN(Cc2cccc(CNC3CCCCC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5706965
9374,N#Cc1ccc(CCc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7561554
9375,O=C(c1ccnc(F)c1)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6750632
9376,Oc1cc2c(cc1OC=Nc1ccccc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58792275
9377,Oc1nc2ccccc2n1-c1ccccc1N1CCN(CCN2CCC(Br)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71443695
9378,CCCCN1CCN(Cc2cccc(N3c4ccccc4CCS3(=O)=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6998344
9379,CCCOc1ccc(OC)c(CNc2ccccc2OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.097131185
9380,CCCOc1ccc(ONS(C)(=O)=O)c(NC(=O)Cc2ccc3c(c2)CCC(=O)C3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.090196915
9381,CCCOc1ccc(OS(N)(=O)=O)c(C(C)Cc2ccc(OC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06520271
9382,CCCc1ccc(OC2CCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.5217841
9383,CCOc1ccccc1N1CCN(CCN2CCC(c3nc(-c4ccccc4)cs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7508623
9384,CCc1cc2c(cc1OC)C1Cc3cccc(C(=O)Nc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3808613
9385,CNc1ccc(Cc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5184873
9386,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4cc(Br)ccc4O)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72377676
9387,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3cccc(C#Cc4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8266211
9388,COCCCN1CCN(Cc2cccc(C3CC3c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6158504
9389,COCCCN1CCN(Cc2cccc(Cc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6075716
9390,COCCOc1ccc(OC)c(-c2cccc(OC)c2C(C)c2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16792174
9391,COCCOc1ccc(OC)c(N2CCN(c3cccc(C(F)(F)F)c3)C(=O)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28125444
9392,COc1cc2c(cc1-c1cccnc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55633384
9393,COc1cc2c(cc1C#N)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.84882087
9394,COc1cc2c(cc1O)C1Cc3cccc(-c4cnccc4CO)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6467701
9395,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)NCc3ccc(C)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4481956
9396,COc1cc2c(cc1O)CCN1Cc3c(cccc3C3CCCN(C)C3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79418844
9397,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75771385
9398,COc1cc2c(cc1OCCc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73648983
9399,COc1cc2c(cc1Oc1ccc(C#N)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.84149826
9400,COc1ccc(OCCC2CCN(Cc3ccccc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4913633
9401,COc1ccc(OCCCNC(=O)Cc2cccnc2)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.54906523
9402,COc1ccc(OCCCOc2ccc(F)cc2)cc1NC(=O)c1ccc(SC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.039916124
9403,COc1ccc(OCCN(C)C)cc1CCNC(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.041094303
9404,COc1ccc(OCCN2CCC(OCc3ccccc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5852898
9405,COc1ccc(OCCN2CCCC(c3ccccc3OC3CC3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5860494
9406,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1CNCC1=[SH]CNC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.039670058
9407,COc1ccc(OCCS(N)(=O)=O)cc1Cc1ccc(OC2CCNCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.18897457
9408,COc1ccc(OCCS(N)(=O)=O)cc1NCC1CC(=O)c2cc(CC(C)C)ccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.18291251
9409,COc1ccc(OCCSC)cc1N1CCC(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3839397
9410,COc1cccc(CN2CCN(CCCC3=NC(=O)c4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49900612
9411,COc1cccc2c1CCC(CNCCOc1ccc(ONS(C)(=O)=O)c(C)c1)C2,[*]CCOc1ccc(O[*])c([*])c1,0.40084946
9412,COc1cccc2c1CN1CCc3cc(Cc4cccc(F)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7261188
9413,COc1cccc2c1CN1CCc3cc(OCc4ccccc4)c(SC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7107926
9414,COc1cccc2c1CN1CCc3cc([N+](=O)c4cccc(F)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6100672
9415,COc1ccccc1C1CCN(CCOc2ccc(OC)c(S(=O)(=O)O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5792761
9416,COc1ccccc1N1CCN(CCCOc2ccc(ONS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8495809
9417,COc1ccccc1N1CCN(CCN2CCC(n3ccc4cc(CO)ccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82320815
9418,COc1ccccc1N1CCN(CCNC(=O)c2ccc(S(C)(=O)=O)c(O)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.8961249
9419,CS(=O)(O)=NOc1ccc(OCCF)cc1CCN1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.53645813
9420,Cc1cc(OCCN2CCC(Oc3ccc4c(c3)NC(=O)CCC4)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.534458
9421,Cc1cc(OCCN2CCC(Oc3ccc4ccccc4c3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6038851
9422,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(Cc2cccc3c2NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25255606
9423,Cc1cc(OCCN=S(C)(C)=O)ccc1ON1CCC(Oc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.26013947
9424,Cc1cc(OCCN=S(C)O)ccc1ON1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28937578
9425,Cc1cc(OCCNC(=O)COc2ccc3c(c2)NCCC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.050836965
9426,Cc1cc(OCCNC(=O)COc2ccccc2)ccc1ON1CCC(C)C1,[*]CCOc1ccc(O[*])c([*])c1,0.060514096
9427,Cc1cccc2c1CN1CCc3cc(C(=O)Nc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.27756268
9428,Cc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccc4Cl)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76271975
9429,ClCCCN1CCN(Cc2cccc(-c3ncc(-c4ccccc4)s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61704594
9430,Fc1ccccc1N1CCN(CCN2CCC(c3nc4ccccc4s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71083945
9431,O=C(NCCN1CCN(Cl)CC1)c1ccc(F)c(-c2ccc(Cl)cc2)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3584628
9432,O=C(Oc1ccccc1)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49602887
9433,O=c1c2cc(F)ccc2n(CCCN2CCN(Cc3cccc(Cl)c3)CC2)c(=O)n1-c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6079024
9434,O=c1ncc(F)cn1-c1ccccc1N1CCN(CCN2CCC(F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.542478
9435,Oc1ccccc1N1CCN(CCN2CCC(c3ncc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73532325
9436,Oc1ccn(-c2ccccc2N2CCN(CCN3CCC(C(F)(F)F)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81396496
9437,C#Cc1cccc(OCc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.678292
9438,C=Cc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67768496
9439,C=Cc1ccc(COCc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76602745
9440,CC(=O)NC1CCN(CCN2CCN(c3ccccc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8392474
9441,CC1(C)C(=O)N(CCCCN2CCN(Cc3cccc(Cl)c3)CC2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49005768
9442,CCCOc1ccc(OC(=O)N2CCC(Cc3ccc(F)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08298099
9443,CCCOc1ccc(OC(C)COc2ccc(F)cc2)c(N=S(C)(=O)O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.056572452
9444,CCCOc1ccc(OC(F)COc2ccccc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10672379
9445,CCCOc1ccc(OCCF)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8602638
9446,CCCOc1ccc(OCS(N)(=O)=O)c(N2CCC(Oc3ccc4c(c3)NC(=O)CCC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4893399
9447,CCCOc1ccc(OOC)c(CC(F)(F)F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11237346
9448,CCCOc1ccc(OOC)c(NC2CCN(Cc3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4852681
9449,CCCOc1ccc(OS(=O)(=O)c2ccc(C(C)=O)cc2)c(C2CCN(C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2651613
9450,CCCOc1ccc(OS(C)(=O)=O)c(Cc2ccc(C(F)(F)F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.089181714
9451,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)COc2ccccc2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.005010924
9452,CCCOc1ccc(OS(N)(=O)=O)c(N2CCCC(CCc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24732846
9453,CCCOc1ccc(Oc2cc(NC(C)=O)ccc2F)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.020774744
9454,CCCc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(OC)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7033284
9455,CCc1ccc(CNCCOc2ccc(ON=S(C)(=O)O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.16352561
9456,CCc1ccccc1C1CCCN(c2cc(OCCSC)ccc2OC)C1,[*]CCOc1ccc(O[*])c([*])c1,0.30163783
9457,COC(=O)Nc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2735049
9458,COC1=CC=C(C)CN=CC(C2CCN(CCN3CCN(c4ccccc4O)CC3)CC2)=C1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.55539584
9459,COCCOc1ccc(OCNc2ccc(F)cc2OC)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.115692094
9460,COOc1ccc(OCCCN2CCN(c3ccccc3F)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6923061
9461,COc1cc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)ccc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.9218696
9462,COc1cc2c(cc1CCCN)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7464902
9463,COc1cc2c(cc1Cc1ccc3[nH]ccc3c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7084015
9464,COc1cc2c(cc1O)CCN1Cc3c(C=NOc4cccc(CO)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6210336
9465,COc1cc2c(cc1O)CCN1Cc3c(cccc3N3CCN(OCc4ccccc4)CC3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62723315
9466,COc1cc2c(cc1OC)C1Cc3cccc(OC=Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71663254
9467,COc1ccc(OCCC(=O)CCc2ccccc2)cc1CN1CCN(C(C)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18401904
9468,COc1ccc(OCCC(N)=O)cc1N1CCCC(S(=O)(=O)c2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.14256553
9469,COc1ccc(OCCN(C)C)cc1NCc1cccs1,[*]CCOc1ccc(O[*])c([*])c1,0.15117034
9470,COc1ccc(OCCNCCc2ccc3c(c2)SC(=O)CC3)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.1292269
9471,COc1ccc(OCCNS(C)(=O)=O)cc1NC1CCC1Cc1ccc(OC2CCCCN2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.11757347
9472,COc1ccc(OCCS(=O)(O)=CO)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.031215888
9473,COc1ccc(OCCS(C)(=O)=O)cc1OCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.09681263
9474,COc1ccc(OCCc2cc(C(C)C)ccc2C=S(C)O)cc1CN(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.03553146
9475,COc1ccc(OCCc2csc(C(=O)C3CCCCC3)c2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.042431433
9476,COc1cccc(CCc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78230345
9477,COc1cccc2c1CN1CCc3cc(C(=O)c4cccs4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49829173
9478,COc1cccc2c1CN1CCc3cc(Cc4cccc(O)c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6502685
9479,COc1ccccc1N1CCN(CCN2CCC(COc3ccc4[nH]ccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7679724
9480,COc1ccccc1N1CCN(CCN2CCC(n3cnc(-c4ccccc4)c3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7684918
9481,CSOc1ccc(OCCN=S(=O)(O)c2cccc(C(C)=O)c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.016531449
9482,CSc1cccc(CN2CCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.41133583
9483,Cc1cc(OCCN2CCN(c3ccccc3OCC(C)C)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.68582857
9484,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(Cc2ccc(OC3CCCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.12686454
9485,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)CCC(O)C3)ccc1OC=S(=O)(O)O,[*]CCOc1ccc(O[*])c([*])c1,0.13741143
9486,Cc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6409884
9487,Cc1ccccc1N1CCN(CCN2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6546544
9488,Clc1cccc(CN2CCN(CCCCc3ncc(-c4ccccc4)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6965064
9489,Fc1cccc(Oc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8575195
9490,O=C(NCc1ccccc1)C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7987154
9491,O=C1Cc2ccccc2N1C(=O)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6059981
9492,O=S(=O)(CCCN1CCN(Cc2cccc(Cl)c2)CC1)c1cccs1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6109228
9493,Oc1cccc(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.826327
9494,CC(C)c1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccccc4)cc(O)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65563786
9495,CC(C)c1ccccc1N1CCN(CCN2CCC(c3cccc(O)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75597674
9496,CCC(=O)NCc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.33434105
9497,CCC(C)(C)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65823734
9498,CCCN1CCCC(c2cc(OCCF)ccc2OS(C)(=O)=O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.5806735
9499,CCCOc1ccc(OC)c(C(=O)Nc2cccc(CN3CCc4ccccc4C3)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22499865
9500,CCCOc1ccc(OCN(C)Cc2ccccc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17445004
9501,CCCOc1ccc(OCOCC)c(CN2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.75985587
9502,CCCOc1ccc(OF)c(CN2CCN(c3cccc(OC)c3)C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34199566
9503,CCCOc1ccc(OF)c(NC(=O)CN2CCC(C(=O)OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05621486
9504,CCCOc1ccc(ON2CCC(C(=O)c3ccc(F)cc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2287867
9505,CCCOc1ccc(ON2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c(C(=O)OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26743987
9506,CCCOc1ccc(OOC)c(N2CCC(c3ccco3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32377958
9507,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCCC(Cc3ccc(OC4CCCCC4)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21658349
9508,CCCOc1ccc(OS(C)(=O)=O)c(C=Cc2ccccc2CC2CCNCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20261963
9509,CCCOc1ccc(OS(C)(=O)=O)c(CN2CCN(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.45110288
9510,CCCc1ccccc1N1CCN(CCN2CCC(n3c(O)cc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65198314
9511,CCOc1ccccc1N1CCN(CCCOc2ccc(OS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.828328
9512,CN(C(=O)Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2)c1c(Cl)cccc1Cl,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40404862
9513,CNC(=O)CCOc1ccc(ON2CCN(c3ccccc3OC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1608836
9514,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccc(O)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.45902398
9515,COC1CCN(CCN2CCN(c3ccccc3Oc3cnc4ccc(O)cc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75021625
9516,COCCCN1CCN(Cc2cccc(-c3ccccc3N=S(=O)(O)c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48888895
9517,COCCCN1CCN(Cc2cccc(CNC(=O)c3csc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.40764076
9518,COCCOc1ccc(ON2CC=C(c3ccccc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37892252
9519,COCCOc1ccc(ON2CCN(CCc3ccccc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.527572
9520,COCCOc1ccc(Oc2ccc(OC)c(C(C)C)c2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.089463435
9521,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ncccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.28900954
9522,COc1cc(C(=O)NCCN2CCN(c3ccccc3)CC2)ccc1S(C)(=O)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.73276484
9523,COc1cc2c(cc1C(=O)NCc1ccc(O)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47697484
9524,COc1cc2c(cc1C(=O)Nc1cccc(Cl)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32615814
9525,COc1cc2c(cc1Cl)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7011533
9526,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(CNC5CCCCC5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51935947
9527,COc1cc2c(cc1OC)C1Cc3cccc(OCc4cccnc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.703497
9528,COc1ccc(C(=O)NCCN2CCN(c3ccccc3O)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.7612367
9529,COc1ccc(C2CCN(CCN3CCN(c4ccccc4F)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6883411
9530,COc1ccc(OCCCc2ccc(S(C)(=O)=O)cc2)cc1N=S(C)(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07476181
9531,COc1ccc(OCCN2CCCC2=O)cc1NCCC1C(=O)CCc2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.33632702
9532,COc1ccc(OCCN=S(C)(=O)O)cc1CCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.047058973
9533,COc1ccc(OCCNC(=O)c2cccc(C)c2)cc1OC1CCN(CCF)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.39666474
9534,COc1ccc(OCCS(C)(=O)=O)cc1N1C(=O)C(=O)Cc2ccc(CC3CCCC3)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.17591752
9535,COc1cccc(-c2cccc(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)n2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7758089
9536,COc1cccc(CN2CCN(CCCc3ccc4c(c3)CCC(=O)N4)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61718005
9537,COc1cccc2c1CN1CCc3cc(C(=O)c4ccc5[nH]ccc5c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48118654
9538,COc1ccccc1C1CCCN(C2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)C1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80007476
9539,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3cccc4ccc(O)nc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7783097
9540,COc1ccccc1N1CCN(CCN2CCC(Cc3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.89782643
9541,COc1ccccc1N1CCN(CCN2CCC(c3cc(C(=O)F)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8592184
9542,CSc1ccc(C2CCN(CCOc3ccc(OOS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.6621491
9543,CSc1ccc(CN2CCN(Oc3ccc(OCCN(C)S(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.419065
9544,Cc1cc(OCCCN2CCC(Cc3ccccc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5998896
9545,Cc1cc(OCCF)ccc1ONC(=O)COc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.018482253
9546,Cc1cc(OCCN2CCC(CCc3ccccc3)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5149936
9547,Cc1cc(OCCN2CCC(c3ccc(F)cc3)C(=O)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.55728257
9548,Cc1cc(OCCN2CCCC(Cc3ccccc3)C2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.45746946
9549,N#CC1CCN(CCN2CCN(c3ccccc3-n3cccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8752226
9550,OCc1cc2c(cc1Cc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6258924
9551,Oc1cc2c(cc1Cl)CCN1Cc3c(COCc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77227694
9552,Oc1nc2cc(Cc3cccc(CN4CCN(CCCC(F)(F)F)CC4)c3)ccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.518122
9553,CC(C)c1ccccc1N1CCN(CCN2CCC(n3cccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64677966
9554,CCC(C)c1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73933864
9555,CCCOc1ccc(OC(F)COc2ccc(F)cc2)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.67685384
9556,CCCOc1ccc(OCCc2ccccc2)c(CN2CCCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7367962
9557,CCCOc1ccc(OCN2CCN(Cc3ccccc3OC)CC2)c(N=S(C)(=O)O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34184253
9558,CCCOc1ccc(OCS(N)(=O)=O)c(N2CCCC(CCc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23613685
9559,CCCOc1ccc(ON=S(C)(=O)O)c(NCC2CCc3ccc(C(C)=O)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23202297
9560,CCCOc1ccc(OS(C)(=O)=O)c(NCCc2ccc3c(c2)CC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13596307
9561,CCCOc1ccc(O[SH](C)(=O)O)c(N2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24690688
9562,CCOC(=O)NCCOc1ccc(OC)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6117616
9563,CCOCCCN1CCN(Cc2cccc(-c3ccc4ccccc4n3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58556736
9564,CCOc1ccccc1C1CCN(Cc2cc(OCCNC(C)=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.39653987
9565,CCc1cc2c(cc1O)C1Cc3cccc(Oc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6675014
9566,CCc1cccc(-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7179538
9567,CN(C(=O)c1ccccc1)C1CCN(CCN2CCN(c3ccccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7328984
9568,CNCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6349165
9569,COC(C=O)=Cc1ccc(CCCN2CCN(Cc3cccc(F)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.42398652
9570,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3cccc4ccc(O)cc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73995566
9571,COC1CCN(CCN2CCN(c3ccccc3NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5069094
9572,COCCOc1ccc(OC)c(-c2cc3ccccc3n2CCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17837885
9573,CONCc1ccc(-c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49651816
9574,COc1cc(OCCF)ccc1OCN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8430218
9575,COc1cc2c(cc1C(=O)Cc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54157877
9576,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7235043
9577,COc1cc2c(cc1O)C1Cc3cccc(CNC(=O)c4ccc5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5142355
9578,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccco4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72186893
9579,COc1cc2c(cc1OC)C1Cc3cccc(NC(=O)OCc4ccc5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.31128052
9580,COc1ccc(CC2CCN(Oc3ccc(OCCN=S(C)(=O)O)cc3C)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.14089768
9581,COc1ccc(OCCC(N)=O)cc1CN1CCC(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4832656
9582,COc1ccc(OCCCS(N)(=O)=O)cc1CCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.10495985
9583,COc1ccc(OCCF)cc1NCC1CCN(S(C)(=O)=O)c2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.25152194
9584,COc1ccc(OCCF)cc1S(=O)(=O)C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.029593905
9585,COc1ccc(OCCN2CCCC2C(=O)OCc2ccc(F)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.18868408
9586,COc1ccc(OCCN2CCN(c3cc(C(C)=O)ccc3F)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5709933
9587,COc1ccc(OCCN=S(C)(=O)O)cc1-c1ccc(OC(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.05997836
9588,COc1ccc(OCCNC(=O)c2ccc3c(c2)C(=O)CCC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.097977
9589,COc1cccc(-c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5931443
9590,COc1cccc(CN2CCN(CCOc3ccc(OC)c(OS(C)(=O)=O)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.48346683
9591,COc1cccc2c1CN1CCc3cc(C=O)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7088354
9592,COc1cccc2c1CN1CCc3cc(N)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76802427
9593,COc1cccc2c1CN1CCc3cc(OC(F)(F)F)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.80166477
9594,COc1ccccc1COc1cccc2c1CN1CCc3cc(Cc4ccccc4)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7285542
9595,COc1ccccc1Cc1ccccc1N1CCN(CCN2CCC(O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71034867
9596,COc1ccccc1N1CCCCC1CNCCOc1ccc(OC)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2031491
9597,COc1ccccc1N1CCN(CCCOc2ccc(OSCCO)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8228753
9598,CSOc1ccc(OCCN2CCC(c3ccc(NS(C)(=O)=O)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.58288854
9599,Cc1cc(OCCN)ccc1OCN1CCN(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.49498582
9600,Cc1cc(OCCOS(C)(=O)=O)ccc1OCCOc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.09690635
9601,Cc1cc2c(cc1O)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6244615
9602,Cc1ccc(COC(=O)c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5317864
9603,FC(F)(F)Oc1ccccc1N1CCN(CCN2CCC(c3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80797964
9604,FC(F)(F)c1ccccc1N1CCN(CCN2CCC(c3nccc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8421104
9605,FCCCN1CCN(Cc2cccc(-c3cc(-c4ccccc4)ccn3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7169347
9606,FCCCN1CCN(Cc2cccc(-c3cccc4occc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67636937
9607,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)C(=O)c1cccs1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.495869
9608,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)C1Cc2ccccc2C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61529523
9609,O=C(NCCCCN1CCN(Cc2cccc(F)c2)CC1)C1(c2ccccc2)CCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5107306
9610,O=C1N(CCCN2CCN(Cc3cccc(F)c3)CC2)c2ccccc2S1(=O)=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6665584
9611,O=C1c2ccccc2C(=O)N1Cc1cccc(CN2CCN(CCCO)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55182314
9612,O=c1ncc(F)cn1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.607069
9613,OC1CCN(CCN2CCN(c3ccccc3-c3nc4ccccc4n3-c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66544217
9614,Oc1cc2c(cc1Cl)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8019574
9615,Oc1cnc2ccc(Oc3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)cc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.63260514
9616,CC(=O)NOc1ccc(OCCF)cc1CCCN1CCC(=O)Nc2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.37826404
9617,CC(C)(C)c1ccccc1N1CCN(CCN2CCC(c3nccc(-c4ccc(F)cc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7067716
9618,CC(C)CNCc1cc(OCCF)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07199501
9619,CC1CCN(CCN2CCN(c3ccccc3OCc3cc4ccccc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7754868
9620,CCCOc1ccc(OC)c(CNCCS(=O)(=O)c2cccc(Cl)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.101567715
9621,CCCOc1ccc(OCN2CCN(c3ccccc3OC)CC2)c(N=S(C)(=O)O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6387382
9622,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22333506
9623,CCCOc1ccc(OOC)c(NC(=O)c2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.034649726
9624,CCCOc1ccc(OS(C)(=O)=O)c(CC(O)COc2ccc3c(c2)NCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24761713
9625,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Oc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.49815148
9626,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22158676
9627,CCCOc1ccc(OSC)c(CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7605794
9628,CCCOc1ccc(Oc2ccc(F)cc2)c(NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.031401902
9629,CCNC(=O)Nc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40696517
9630,CCOc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccc(F)cc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7822759
9631,CCSc1ccccc1N1CCN(CCN2CCC(Oc3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6362748
9632,COC1CCN(CCN2CCN(c3ccccc3[O-])CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7961921
9633,COCCOc1ccc(OC)c(CN2CCC(Nc3ccccc3S(C)(=O)=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36261424
9634,COCCOc1ccc(OCN2CCN(c3ccc(C(C)=O)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2737769
9635,CON1CCN(CCNC(=O)c2ccc(C(C)=O)c(C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.21299331
9636,COOc1ccc(OCCF)cc1CN1CCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.88759583
9637,COc1cc2c(cc1Cn1cccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7438814
9638,COc1cc2c(cc1O)C1Cc3cccc(C(=O)C(F)(F)F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6042153
9639,COc1cc2c(cc1O)C1Cc3cccc(CCNC(=O)c4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4220228
9640,COc1cc2c(cc1O)C1Cc3cccc(CN=Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76190823
9641,COc1cc2c(cc1OC)C1Cc3cccc(OC(=O)NCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35919717
9642,COc1cc2c(cc1OCCN(C)C)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7586716
9643,COc1ccc(C(=O)NCCN2CCN(O)CC2)cc1-c1ccc(O)o1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.20164672
9644,COc1ccc(C(=O)NCCN2CCN(O)CC2)cc1-c1ccccc1OC(C)C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32351065
9645,COc1ccc(COc2cc3c(cc2OC)C2Cc4cccc(C)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6682213
9646,COc1ccc(Cc2cccc3c2CN2CCc4cc(OC)c(C)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6392794
9647,COc1ccc(OCCC(=O)COc2cccc(F)c2)cc1N1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.13144524
9648,COc1ccc(OCCC(C)N=O)cc1N1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.23466666
9649,COc1ccc(OCCCCCc2ccc3ccc(=O)[nH]c3c2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.108282134
9650,COc1ccc(OCCCNS(=O)(=O)c2cccc(F)c2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.12891218
9651,COc1ccc(OCCN2CCC(C(F)F)CC2)cc1CS(=O)(=O)N(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.5184605
9652,COc1ccc(OCCN2CCCC(Cc3ccc(OC4C=CCC4)cc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3847028
9653,COc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1N1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.26915172
9654,COc1ccc(OCCOC(=O)CCc2ccc(F)cc2)cc1CN(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.03817343
9655,COc1cccc(-c2ccc(C(=O)NCCN3CCN(O)CC3)cc2C)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.23021106
9656,COc1cccc(CN2CCN(CCCCNc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67381054
9657,COc1cccc(CN2CCN(CCCS(=O)(=O)C3CCCCC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6048808
9658,COc1cccc2c1CN1CCc3cc(-c4cccc5ccccc45)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5997553
9659,COc1cccc2c1CN1CCc3cc(C(O)c4cccc5ccccc45)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60187185
9660,COc1cccc2c1CN1CCc3cc(C4CCC4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63284814
9661,COc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3ccc(-c4ccccn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82015556
9662,COc1ccccc1N1CCN(CCN2CCC(OCc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8911935
9663,CSOc1ccc(OCCCN2C(=O)CCc3ccc(CC4CCCCC4)cc32)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.23168531
9664,Cc1cc(OCCCN2CCc3ccccc3C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5629206
9665,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)CCC(=O)N4)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.49482584
9666,Cc1cc(OCCNC(=O)COc2ccc3c(c2)CC(=O)CC3)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.055507764
9667,Cc1cc(OCCNC(=O)OCc2ccc(C(F)(F)F)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.024029614
9668,Cc1cc(OCCNC2c3ccccc3CCC2C)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2514363
9669,Cc1cc(OCCNS(=O)(=O)c2ccc(C(C)C)cc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.05823854
9670,Cc1ccc(OCCOc2ccc(OCCNS(C)(=O)=O)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07128285
9671,Cc1ccc(S(=O)(=O)NOc2ccc(OCCF)cc2C)cc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.09384112
9672,O=C(NCc1cccc(CN2CCN(CCCCl)CC2)c1)C1CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54048103
9673,O=CC(=O)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46194896
9674,O=c1sn(Cc2cccc(CN3CCN(CCCCl)CC3)c2)cc1-c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.654059
9675,Oc1cc2c(cc1CN1CCCCC1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59725416
9676,C=S(O)Oc1ccc(OCCC)cc1NCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07558299
9677,CC(=O)c1ccc(OC2CCN(CCOc3ccc(OS(N)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.41527584
9678,CC1(C)c2ccccc2N1C(=O)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5027844
9679,CCCCN1CCN(Cc2cccc(C3Cc4ccccc4C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63915515
9680,CCCCc1ccc(C2CCN(c3cc(OCCC)ccc3OS(C)(=O)=O)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.2487672
9681,CCCOc1ccc(OC(=O)CCc2ccccn2)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5000855
9682,CCCOc1ccc(OCNS(C)(=O)=O)c(CCOc2ccc3c(c2)NC(=O)CCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2309298
9683,CCCOc1ccc(ON2CCC(C(=O)c3ccccc3)CC2)c(N)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17830801
9684,CCCOc1ccc(OOC)c(CNC(=O)c2ccoc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03637673
9685,CCCOc1ccc(OOCC)c(NCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.104658
9686,CCCOc1ccc(OS(C)(=O)=O)c(C(F)CCc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22170757
9687,CCCOc1ccc(OS(C)(=O)=O)c(CNCc2ccc(OCC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07008007
9688,CCCOc1ccc(OS(C)(=O)=O)c(OC(C)CCc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26195604
9689,CCCOc1ccc(OS(C)(=O)=O)c(OC2CCc3ccc(CC4CCC(=O)C4)cc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38530514
9690,CCCOc1ccc(Oc2ccccc2OCCF)c(CNC=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14208882
9691,CCCc1ccc(S(=O)(=O)NCCOc2ccc(OS(C)(=O)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.05948084
9692,CN(C=Cc1ccccc1)Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62401366
9693,COC1CCN(CCN2CCN(c3ccccc3-n3cncc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7325632
9694,COCCCN1CCN(Cc2cccc(-c3ccc(-c4cc5ccccn5c4)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5511591
9695,COCCOc1ccc(OC)c(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5022128
9696,COOc1ccc(OCCNC(=O)c2ccc(F)c(NS(C)(=O)=O)c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.015230674
9697,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccc[s+]1[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.24258173
9698,COc1cc2c(cc1C(=O)NCc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44675446
9699,COc1cc2c(cc1O)C1Cc3cccc(COc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7886788
9700,COc1cc2c(cc1O)C1Cc3cccc(N(C)Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79734826
9701,COc1cc2c(cc1OC)OC(CNOc1ccc(OCCF)cc1C)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.39570686
9702,COc1ccc(-c2cc(C3CCN(CCN4CCN(c5ccccc5OC)CC4)CC3)no2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85153544
9703,COc1ccc(N)c(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7308168
9704,COc1ccc(OCCCN2CCCCC2)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.48898143
9705,COc1ccc(OCCN2CCCN(c3cccc(Cl)c3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.87121105
9706,COc1ccc(OCCNC(=O)CCc2ccc3c(c2)NC(=O)CC3)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.074988954
9707,COc1ccc(OCCNC(=O)c2cccs2)cc1OC1CCCCN1,[*]CCOc1ccc(O[*])c([*])c1,0.060014166
9708,COc1ccc(OCCS(=O)(=O)N=O)cc1N1CCCC(CCc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2593484
9709,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(c2ccc(CC(F)(F)F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.28237453
9710,COc1ccc2ccc(CC3CCN(CCOc4ccc(ON=S(C)(=O)O)c(C)c4)CC3)cc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.47890687
9711,COc1cccc(CN2CCN(CCCc3cc4ccccc4sc3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53060013
9712,COc1cccc(CN2CCN(CCCc3ccc(C(F)(F)F)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6445058
9713,COc1ccccc1-c1ccccc1N1CCN(CCN2CCC(C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77552444
9714,COc1ccccc1N1CCN(CCN2CCC(c3cnccc3-c3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7880032
9715,CS(=O)(=O)c1cccc(CN2CCN(CCCc3ccc(F)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58795995
9716,CSc1ccc(C(=O)N2CCC(CNCOc3ccc(OCCOC(C)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06835664
9717,Cc1cc(OCCCS(=O)(=O)c2ccc(C(C)C)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.059233427
9718,Cc1cc(OCCF)ccc1OCN1CCC(CNC(=O)c2ccc(C(C)(C)C)cc2)C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.121813625
9719,Cc1cc(OCCN2CCC(c3ccccc3)C(CF)C2)ccc1OO[SH](=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.47459072
9720,Cc1cc(OCCN=S(C)(=O)O)ccc1OC=CCc1ccccc1OC1CCNC1,[*]CCOc1ccc(O[*])c([*])c1,0.1698299
9721,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(Oc2ccc(CC3CCCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.148639
9722,Cc1cc(OCCNS(C)(=O)=O)ccc1OC(O)Cc1ccc(OC2CCCNC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.11428324
9723,Cc1cccc2c1CN1CCc3cc(-c4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5891718
9724,Fc1ccc(-c2ccc(-c3ccccc3N3CCN(CCN4CCC(F)CC4)CC3)nc2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71694136
9725,N#Cc1cccc2c1CN1CCc3cc(O)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7449681
9726,O=C(NC1CCCCC1)c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49289092
9727,O=C1CCN(c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)O1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5347673
9728,O=C1c2ccccc2NCC1CCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67073286
9729,Oc1ccc(CC2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.776138
9730,Oc1cccc2c1CN1CCc3cc(-c4cccc(CF)c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7042002
9731,Oc1cncn1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72645617
9732,[O-]C1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccccc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7379903
9733,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3ccccc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7943428
9734,CC1CCN(CCN2CCN(c3ccccc3NS(=O)(=O)c3cc(F)ccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.50058717
9735,CCC(=O)Nc1cccc2c1CN1CCc3cc(O)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.30914527
9736,CCCOc1ccc(ON2CCC(c3ccccc3OC)CC2)c(SC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39972436
9737,CCCOc1ccc(ONS(C)(=O)=O)c(CCOc2ccc(CCC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0752059
9738,CCCOc1ccc(OS(N)(=O)=O)c(CCCOc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12026222
9739,CCCOc1ccc(OSC)c(N2CCC(Cc3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38775307
9740,CCOCCCN1CCN(Cc2cccc(-c3cc(-c4ccc(F)cc4)no3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53011847
9741,CCOc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6450057
9742,CCOc1ccccc1N1CCN(CCN2CCC(n3c(O)nc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73386675
9743,CCSC(=O)CCOc1ccc(OC)c(N2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21698485
9744,CCc1ccc(CNCCOc2ccc(OOC)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.19423613
9745,CNC(c1ccccc1)c1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6322156
9746,COC(=O)c1cccc(CN2CCN(CCCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.45866898
9747,COC1CCN(CCN2CCN(c3ccccc3-c3cccc4nc(O)cc-4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72900736
9748,COC1CCN(CCN2CCN(c3ccccc3-n3ccc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7211878
9749,COC1CCN(CCN2CCN(c3ccccc3Cc3ccc4ccc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66284704
9750,COCCOc1ccc(OC)c(N2CCCC(c3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39958268
9751,COCCOc1ccc(ON2CCC(NC(=O)c3cccc(CCF)c3)C2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14267007
9752,COc1cc(C(=O)NCCN2CCN(c3ccccc3)CC2)ccc1-c1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.5939911
9753,COc1cc2c(cc1C)CCN1Cc3c(cccc3OCc3ccncc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.631797
9754,COc1cc2c(cc1CNc1ccc(C)cc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41753125
9755,COc1cc2c(cc1Cc1ccc(CF)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6946517
9756,COc1cc2c(cc1Cc1cccc(OC(C)C)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57036
9757,COc1cc2c(cc1O)C1Cc3cccc(OC(=O)NCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43494987
9758,COc1cc2c(cc1OC)C1Cc3cccc(NC(=O)c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.28089723
9759,COc1ccc(OCCN2CCC(Cc3ccccc3)C2=O)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.30939084
9760,COc1ccc(OCCN2CCN(c3ccc(Cl)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.77913266
9761,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(Cc2ccccc2OC2CC2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.17864463
9762,COc1ccc(OCCOC(C)=O)cc1N1CCC(C(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2076709
9763,COc1ccc(OCCS(C)(=O)=O)cc1C1CCC(CN2CCC(c3ccc(F)cc3)CC2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5498542
9764,COc1ccc(OCCS(C)(=O)=O)cc1CC(=O)Nc1ccc(C(F)(F)F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.007897043
9765,COc1ccc(OCCS(N)(=O)=O)cc1Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07081243
9766,COc1ccc(OCCc2ccccc2CS(C)(=O)=O)cc1CN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.22360262
9767,COc1cccc(CN2CCN(CCCC3Oc4ccccc4CC3(C)C)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6374894
9768,COc1cccc(CN2CCN(CCCCc3ccc(C)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6782518
9769,COc1cccc(CN2CCN(CCCN3C(=O)CC(O)c4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49594244
9770,COc1cccc(NC(=O)c2cccc(CN3CCN(CCCC(F)(F)F)CC3)c2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.23915054
9771,COc1ccccc1CN1CCC(CCOc2ccc(ONS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.38206664
9772,COc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3ccc(Cl)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7993346
9773,COc1ccccc1N1CCN(CCN2CCC(n3c(O)cc4c(F)cccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80061173
9774,COc1ccccc1N1CCN(CCOc2ccc(OCF)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.81907165
9775,CSc1ccc(CN2CCN(Oc3ccc(OCCF)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.4476809
9776,Cc1cc(OCCC=CCOc2ccccc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09035903
9777,Cc1cc(OCCCN2CCC(Cc3ccc4ccccc4n3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.54490376
9778,Cc1cc(OCCF)ccc1ONS(=O)(=O)c1ccccc1C(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.06860689
9779,Cc1cc(OCCN2C=CC(Cc3ccc4ccccc4c3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.40004292
9780,Cc1cc(OCCN2CCC(Oc3ccc(CC4CCCCC4)cc3)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4063037
9781,Cc1cc(OCCN2CCCC(CCc3ccccc3)C2)ccc1ONS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.30015638
9782,Cc1cc(OCCN2CCCC2C(=O)c2ccc(F)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.22172275
9783,Cc1cc(OCCN2CCN(c3ccc(C(C)C)cc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.42021498
9784,Cc1cc(OCCNC(=O)Cc2ccc3ccccc3c2)ccc1ON1C(=O)CS1(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.02255218
9785,Cc1cccc2c1CN1CCc3cc(C#N)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62816805
9786,Cc1cccc2c1CN1CCc3cc(CO)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56832206
9787,ClCCCN1CCN(Cc2cccc(Cn3ccc(-c4ccccc4)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5948014
9788,O=C(Nc1c(Cl)cccc1Cl)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4562601
9789,Oc1ccc2c(-c3ccccc3N3CCN(CCN4CCC(O)CC4)CC3)c(F)ccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7002349
9790,Oc1cccc2c1CN1CCc3cc(-c4cc(Cl)ccc4Cl)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6752213
9791,C#CC1CCN(CCN2CCN(c3ccccc3-c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8581225
9792,CC(=O)NCCOc1ccc(ON2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16144729
9793,CC(=O)NCCOc1ccc(ONCCc2ccc3c(c2)NC(=O)CC3)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06217747
9794,CC(=O)NCCOc1ccc(ONS(C)(=O)=O)c(CS(=O)(=O)c2ccc(C(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.037334997
9795,CCC(=O)NCCc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35275257
9796,CCCOc1ccc(OC(F)Cc2ccccc2)c(CCOC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.115836784
9797,CCCOc1ccc(OCNS(C)(=O)=O)c(CC2CCc3cc(N)ccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.41656345
9798,CCCOc1ccc(OF)c(N2CCC(c3ccc(OC4CCCCC4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27903482
9799,CCCOc1ccc(ONC(=O)c2cccc(N3CCNC3)c2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.123361155
9800,CCCOc1ccc(ONCCC(=O)c2ccccn2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.037588377
9801,CCCOc1ccc(ONCc2ccc(F)cc2)c(N(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.101975404
9802,CCCOc1ccc(ONS(C)(=O)=O)c(CCCc2cc3ccccc3s2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11789353
9803,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40165544
9804,CCCOc1ccc(OOC)c(C(=O)Nc2ccccc2OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.024289338
9805,CCCOc1ccc(OOC)c(CN2CCC(Cc3ccc4c(c3)NC(=O)CCS4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.49892616
9806,CCCOc1ccc(OOC)c(N2CCC(OCc3ccc4c(c3)NC(=O)CCC4)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35146388
9807,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)CCN2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16022904
9808,CCCOc1ccc(OS(N)(=O)=O)c(CCCc2ccc(C3CCNC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20134352
9809,CCOc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccccc4)ccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82406807
9810,CCOc1ccccc1N1CCN(CCN2CCC(c3cnc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78540534
9811,CCc1ccc(-c2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75977176
9812,CCc1ccc(CS(=O)(=O)NCCOc2ccc(OC)c(NC)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.09227033
9813,COC(=O)c1ccccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2869938
9814,COCCOc1ccc(OC)c(CN(C)c2ccc(F)cn2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.087462716
9815,COOc1ccc(OCCNCC2CCc3cc(OC)c(OC)cc3C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.2944242
9816,COc1cc2c(cc1CO)C1Cc3cccc(Cc4ccc5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61948335
9817,COc1cc2c(cc1Cc1ccc3cccc(OC)c3c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7672687
9818,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)OCc3ccc4ccccc4c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52370363
9819,COc1cc2c(cc1OC)C1Cc3cccc(OCc4cccc(OC(F)(F)F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6816141
9820,COc1cc2c(cc1OC)CC(CNCCOc1ccc(OC)c(S(C)(=O)=O)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.28121382
9821,COc1cc2c(cc1OCc1cccc(C#N)c1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63099444
9822,COc1ccc(CN(C)C(=O)c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5071779
9823,COc1ccc(OCCC=Cc2cccs2)cc1NC(C)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.13855553
9824,COc1ccc(OCCCCCc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.29244956
9825,COc1ccc(OCCCN2CCN(Cc3ccccc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.7019846
9826,COc1ccc(OCCN2CCC(CCc3cccs3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.54639596
9827,COc1ccc(OCCNCc2ccccn2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.15811303
9828,COc1ccc(OCCNCc2cccs2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1588052
9829,COc1ccc(OCCNS(C)(=O)=O)cc1-c1ccc2cccc(S(=O)(=O)CC(F)(F)F)c2n1,[*]CCOc1ccc(O[*])c([*])c1,0.07053851
9830,COc1ccc(OCCS(C)(=O)=O)cc1CCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.08242201
9831,COc1ccc2c(c1)CC(CNc1cc(OCCSC)ccc1OC)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.43445146
9832,COc1ccc2c(c1)CCCN(c1ccccc1N1CCN(CCN3CCC(Cl)CC3)CC1)C2=O,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6682113
9833,COc1cccc(CN2CCN(CCCNC(=O)c3ccc4ccccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.40062284
9834,COc1cccc2c1CN1CCc3cc(-c4cccnc4)c(C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52853113
9835,COc1cccc2c1CN1CCc3cc(N(C)S(C)(=O)=O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59869576
9836,COc1cccc2c1CN1CCc3cc(O)c(-c4cccc(CO)c4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6331819
9837,COc1ccccc1N1CCN(CCN2CCC(n3ccc(Br)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8401921
9838,CS(=O)(=O)C1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.760218
9839,Cc1cc(OCCF)ccc1OC(O)COc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.20233417
9840,Cc1cc(OCCF)ccc1OCS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.044392485
9841,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCCC1COc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.1462529
9842,Cc1cc(OCCNCCc2ccco2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.113808505
9843,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(c2ccc(CC3CCCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19760008
9844,ClC1CCN(CCN2CCN(c3ccccc3-c3cn(-c4ccccc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74267083
9845,Fc1ccc(C2CCN(CCN3CCN(c4ccccc4F)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76812196
9846,N#Cc1cc2c(cc1F)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78447855
9847,NC=Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7096937
9848,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)N=CC1Nc2ccc(F)cc2C(=O)N1c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5790989
9849,Oc1cccc(CN2CCN(CCCCc3ncc(-c4ccccc4)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6635143
9850,Oc1cccc2c1CN1CCc3cc(-c4cccc5[nH]ccc45)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66515964
9851,CC1(C(=O)Nc2cccc(CN3CCN(CCCCl)CC3)c2)Cc2ccccc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.37961245
9852,CC1Oc2ccccc2N1C(=O)c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5356961
9853,CCCOc1ccc(OC=O)c(N2CCC(O)(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28572157
9854,CCCOc1ccc(OCNS(C)(=O)=O)c(Cc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07457146
9855,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCCC(Cc3ccc(OC)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11082407
9856,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30190918
9857,CCCOc1ccc(OSC)c(CC(=O)COc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16127491
9858,CCNc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65400696
9859,CCOc1cc2c(cc1OC)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67778367
9860,CCOc1ccccc1N1CCN(CCN2CCC(Cc3cccs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7867704
9861,CCS(=O)(=O)Nc1cc2c(cc1O)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39015073
9862,CCc1ccccc1N1CCN(CCN2CCC(c3ncc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79175013
9863,CN(C)Oc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6920567
9864,COC(=O)N1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(-c3ccccc3OC)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.1795645
9865,COC1CCN(CCN2CCN(c3ccccc3C(O)c3ccc(O)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6264834
9866,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3cnc4ccccn34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.41222295
9867,COC1CCN(CCN2CCN(c3ccccc3Nc3ccc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5198987
9868,COC1CCN(CCN2CCN(c3ccccc3Oc3cccc4c(O)nccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7460362
9869,COCCCN1CCN(Cc2cccc(C3=COc4ccccc4N3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54552126
9870,COCCOc1ccc(ON2CCN(c3cccc(F)c3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3333502
9871,COc1cc2c(cc1-c1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.81522065
9872,COc1cc2c(cc1O)C1Cc3cccc(CCNOCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66521823
9873,COc1cc2c(cc1OC)C1Cc3cccc(-c4c(CO)cccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67942333
9874,COc1ccc(-c2cc(C(=O)NCCN3CCN(C#N)CC3)ccc2F)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31610414
9875,COc1ccc(OCCC(C)=O)cc1CN1CCC(Oc2ccccc2CF)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.38842487
9876,COc1ccc(OCCCC2CCc3ccccc3C2F)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.46185666
9877,COc1ccc(OCCCNS(=O)(=O)c2cc(C(C)C)ccc2F)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.034045175
9878,COc1ccc(OCCN2CCC(CCc3ccc4c(c3)NC(=O)CC4)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.67612004
9879,COc1ccc(OCCN2CCC(NS(=O)(=O)c3cccc(F)c3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6760835
9880,COc1ccc(OCCN2CCCN(c3ccccc3OCC(F)(F)F)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.70615274
9881,COc1ccc(OCCNC(=O)Cc2ccc3ccccc3c2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.03036115
9882,COc1ccc(OCCNS(=O)(=O)c2cccc(C(C)C)c2)cc1CC1CCCCO1,[*]CCOc1ccc(O[*])c([*])c1,0.08878223
9883,COc1ccc(OCCS(C)(=O)=O)cc1CC1CCCC(Cc2ccc3c(c2)NC(=O)CC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.30241552
9884,COc1ccc2ccc(C(=O)Nc3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)cc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.46370527
9885,COc1cccc(CN(C)Cc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7068681
9886,COc1cccc(CN2CCN(CCCC3N=C(c4ccccc4)C(=O)N3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56071943
9887,COc1cccc(CN2CCN(CCCCN3c4ccccc4C(C)S3(=O)=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72059244
9888,COc1cccc(COC(=O)c2cccc3c2CN2CCc4cc(O)c(C)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38153768
9889,COc1cccc(N2CCN(CCNC(=O)c3ccc(OC)c(C)c3)CC2)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.63378316
9890,COc1ccccc1-c1cc(C(=O)NCCN2CCN(CO)CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29784665
9891,COc1ccccc1N=CNc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5366824
9892,CSC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4731393
9893,Cc1cc(OCCCN2CCC(C(=O)O)(c3ccc(F)cc3)CC2)ccc1OF,[*]CCOc1ccc(O[*])c([*])c1,0.4741168
9894,Cc1cc(OCCN2CCc3ccccc3C2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3858063
9895,Cc1cc(OCCNCCc2ccccc2)ccc1OS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.13671744
9896,Cc1cc(OCCNS(=O)(=O)c2cccc(Cl)c2F)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.07228963
9897,Cc1ccccc1N1CCN(CCN2CCC(CCOCC#Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6985475
9898,ClC1CCN(CCN2CCN(c3ccccc3Oc3cc4ccccc4nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83991784
9899,Clc1cccc(CN2CCN(CCCCNc3cccc4ccccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6058507
9900,FCCCN1CCN(Cc2cccc(-c3cccc(-c4ccccc4)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7408664
9901,N#Cc1cccc([N+](=O)c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54477704
9902,O=C(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)C1COc2ccc(O)cc2C1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.29741502
9903,O=C1NCc2ccccc2N1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.75414145
9904,OC1=Nc2ccc(Oc3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)cc2CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73564124
9905,Oc1cc2c(cc1OCc1ccccc1Cl)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6622346
9906,Oc1cccc2c1CN1CCc3cc(-c4cccc(Cl)c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6729006
9907,Oc1cccc2c1CN1CCc3cc(OCc4cccs4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7596673
9908,CC(=O)c1cccc(NC(=O)C2CCN(COc3ccc(OCCF)cc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13433853
9909,CC(C)c1ccc(C(=O)C2CCN(Cc3cc(OCCF)ccc3ONS(C)(=O)=O)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.36661988
9910,CCCC(=O)Oc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5481372
9911,CCCOc1ccc(OC)c(CS(=O)(=O)NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.028921697
9912,CCCOc1ccc(OF)c(CCN2CCC(C(=O)O)=CC2c2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27842802
9913,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(Cc3ccc4c(c3)CCNC4=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31062296
9914,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(Oc3ccc(CC4CCCCN4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24708423
9915,CCCOc1ccc(ONS(C)(=O)=O)c(NCC2CCc3cc(OC)c(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4329817
9916,CCCOc1ccc(OS(C)(=O)=O)c(CNCC2CCc3cc(OC)c(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4202995
9917,CCCOc1ccc(O[SH](C)(=O)O)c(NCc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19202754
9918,CCOc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccc(F)cc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7952838
9919,CCOc1ccccc1N1CCN(CCN2CCC(c3ccc(Br)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76913494
9920,CNCCOc1ccc(OC)c(N2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37201262
9921,COC1CCN(CCN2CCN(c3ccccc3-c3cc4cc(O)ccc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6764868
9922,COC1CCN(CCN2CCN(c3ccccc3-c3cc4ccccc4s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7236922
9923,COC1CCN(CCN2CCN(c3ccccc3C3CCc4ccc(O)cc4C3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6529131
9924,COCCCN1CCN(Cc2cccc(CN3c4ccccc4CC3C=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7110882
9925,COCCOc1ccc(OC)c(COc2ccc(NC(C)=O)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.01772068
9926,COCc1cc2c(cc1OC)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70786744
9927,COc1cc(C(=O)NCCN2CCN(O)CC2)ccc1-c1cccc2ccccc12,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31704336
9928,COc1cc2c(cc1-c1cc(C)co1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7548492
9929,COc1cc2c(cc1Cl)C1Cc3cccc(C(=O)OCc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50129163
9930,COc1cc2c(cc1O)C1Cc3cccc(N4CCC(OCc5ccccc5)CC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65950584
9931,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(F)(F)OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66288316
9932,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1c[nH]c2ccccc12,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.41024408
9933,COc1ccc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)cc1[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.93588704
9934,COc1ccc(CCCOc2ccc(ON=S(C)(=O)OC)c(CNC(C)=O)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.033990636
9935,COc1ccc(OCCC2CCC(CNC(C)=O)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.05112013
9936,COc1ccc(OCCN2CCC(c3coc4ccccc34)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.72615814
9937,COc1ccc(OCCN=S(C)(=O)O)cc1C1CCCN(CCc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.46125838
9938,COc1ccc(OCCOS(C)(=O)=O)cc1N1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29341084
9939,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(S(=O)(=O)c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27640355
9940,COc1ccc(OCCS(N)(=O)=O)cc1CCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.10298679
9941,COc1ccc(OCC[SH](C)(=O)O)cc1N1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25435454
9942,COc1ccc2c(c1)CC(CNc1cc(OCCS(C)(=O)=O)ccc1OC)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.3444634
9943,COc1cccc(CN2CCN(CCCc3oc(=O)ccc3Cl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60047054
9944,COc1ccccc1CCCCN1CCN(Cc2cccc([N+](=O)[O-])c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5345213
9945,COc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccccc4)cc(N)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7930398
9946,COc1ccccc1N1CCN(CCN2CCC(c3ccc4nc(O)ccc4c3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80112976
9947,COc1ccccc1N1CCN(CCN2CCC(c3nccc(F)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.89123
9948,COc1ccccc1NC(=O)c1ccccc1N1CCN(CCN2CCC(C(C)C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.41993624
9949,CS(=O)(=O)NOc1ccc(OCCF)cc1CN1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.41213164
9950,CSOc1ccc(OCCN2CCC(NS(=O)(=O)c3cccc(C(N)=O)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.54405785
9951,CSOc1ccc(OCCN2CCC(O)(c3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6348626
9952,CSOc1ccc(OCCN2CCC(c3ccc(F)c(F)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.65598124
9953,CSc1ccc(C2CCN(CCOc3ccc(ON=S(C)(=O)O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.54355067
9954,Cc1cc(OCCC(O)CCc2ccc3c(c2)CC(=O)CC3)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.15981174
9955,Cc1cc(OCCCC(=O)Cc2ccc3c(c2)CCNC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13280375
9956,Cc1cc(OCCN2CCC(NC(=O)c3ccc(F)c(F)c3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4982534
9957,Cc1cc(OCCNS(=O)(=O)Cc2ccc(Cl)cc2)ccc1ON1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.10926625
9958,Cc1cc(OCCNS(=O)(=O)c2ccc(F)cc2)ccc1OCC1CCCN1,[*]CCOc1ccc(O[*])c([*])c1,0.13695198
9959,Cc1cc2c(cc1CO)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55609006
9960,Cc1cc2c(cc1Oc1cccnc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65202636
9961,Cc1cn(CCCCN2CCN(Cc3cccc(F)c3)CC2)c(=O)oc1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6122811
9962,Clc1cccc(CN2CCN(CCCCNc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7505528
9963,Oc1cc2c(cc1Cl)C1Cc3cccc(CCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79206306
9964,Oc1ccc2cccc(C3CCN(CCN4CCN(c5ccccc5Cl)CC4)CC3)c2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78083557
9965,Oc1cccc2c1CN1CCc3cc(OSc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5813302
9966,CC(=O)NOc1ccc(OCCN2CCC(COc3ccc4c(c3)NC(=O)CC4)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5107528
9967,CC=S(O)(O)=NCc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5999826
9968,CCCC(=O)Oc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5516334
9969,CCCOc1ccc(OC=O)c(N2CCN(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.283906
9970,CCCOc1ccc(ON2CC=C(c3ccccc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.45668948
9971,CCCOc1ccc(ON2CCCC(Cc3ccc4c(c3)NC(=O)CC4)C2)c(NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22163296
9972,CCCOc1ccc(OOC)c(CNC(=O)c2ccn(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03906593
9973,CCCOc1ccc(OOS(C)(=O)=O)c(NC2CCC(Oc3ccc(CCC)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1523582
9974,CCNC(=O)Cc1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34454846
9975,CCOc1ccccc1N1CCN(Cc2cc(OCCOC=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.81376135
9976,CCc1ccc(CCCc2cc(OCCS(C)(=O)=O)ccc2OC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.065490425
9977,CNC(Cc1ccc(OC)cc1)c1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56977767
9978,CNOc1ccc(OCCNCc2cccs2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.11051754
9979,COC(=O)Nc1cccc(Cc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3182911
9980,COC(=O)c1cc2c(cc1Cl)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4714061
9981,COC(=O)c1ccccc1N1CCN(CCN2CCC(c3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6006762
9982,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccc(O)nc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76398623
9983,COC1CCN(CCN2CCN(c3ccccc3-c3nc(O)nc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68374175
9984,COC1CCN(CCN2CCN(c3ccccc3C(=NO)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8114543
9985,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3cc4ccc3CCc3ccc(cc3)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4510837
9986,COCCCN1CCN(Cc2cccc(-c3ccc(S)nc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53829306
9987,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1cccc(Cl)c1[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.24731739
9988,COc1cc2c(cc1-c1cccc(Cl)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6759136
9989,COc1cc2c(cc1O)C1Cc3cccc(OCc4c(OC)cccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79403555
9990,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3ccc(C=O)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6556543
9991,COc1cc2c(cc1OC)C1Cc3cccc(NCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46414244
9992,COc1ccc(-c2cc3c(cc2OC)CCN2Cc4c(O)cccc4CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.80616117
9993,COc1ccc(CNCCOc2ccc(ONC(C)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.070874944
9994,COc1ccc(OCCCOC(C)=O)cc1NC(=O)c1ccc(N(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.022123335
9995,COc1ccc(OCCN2CCC(Oc3ccc(SC)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5066839
9996,COc1ccc(OCCN2CCCC(CCc3ccc(F)cc3)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5188818
9997,COc1ccc(OCCN2CCN(c3cccc(CC(F)(F)F)c3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.74698347
9998,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(c2ccc(NC(C)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.11155254
9999,COc1ccc(OCCNC(C)=O)cc1CS(=O)(=O)c1cccc(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.018355042
10000,COc1ccc(OCCNS(=O)(=O)c2ccccc2F)cc1N1CSCC(C)C1,[*]CCOc1ccc(O[*])c([*])c1,0.22103032
10001,COc1ccc(OCCOS(C)(=O)=O)cc1NC1CCC(Oc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1771271
10002,COc1ccc(OCCS(C)(=O)=O)cc1CCCc1ccc2c(c1)CC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.21098217
10003,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(c2ccc(CCF)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.32810107
10004,COc1cccc(-c2cc3c(cc2OC)C2Cc4cccc(Cc5ccccc5)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6359976
10005,COc1cccc(C2CCN(CCN3CCN(c4ccccc4F)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71621305
10006,COc1ccccc1C1CCN(COc2ccc(OCCc3ccc(F)cc3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4342252
10007,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87652856
10008,COc1ccccc1N1CCN(CCN2CCC(c3cc(C(F)F)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8509662
10009,Cc1cc(OCCCOc2ccc(F)cc2)ccc1ON1CCC(O)CN1,[*]CCOc1ccc(O[*])c([*])c1,0.35849953
10010,Cc1cc(OCCN2CCC(Oc3ccc(C4CCCCC4)cc3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.5971913
10011,Cc1cc(OCCNC(=O)c2cccc(C3CCCCC3)c2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.032658894
10012,Cc1cc(OCCNCc2ccc(OC3CCCCC3)cc2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.16295093
10013,Cc1cc(OCCNS(C)(=O)=O)ccc1OCCCc1ccc(C2CCNCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.18257658
10014,Cc1cc2c(cc1OC(C)N(C)C)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7728606
10015,Cc1cccc(CN2CCN(CCCc3cccc(-c4cccs4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62242615
10016,N#Cc1ccc(ON=Cc2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7124269
10017,O=C(Nc1ccccc1N1CCN(CCN2CCC(O)CC2)CC1)c1ccccc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.43625462
10018,O=C1CCN(CCCN2CCN(Cc3cccc(Cl)c3)CC2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.686392
10019,O=C1c2ccccc2NC1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6249346
10020,O=S(=O)(c1ccccc1)c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.44565207
10021,O=[N+]([O-])c1ccccc1N1CCN(CCN2CCC(c3ccon3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5293135
10022,Oc1cc2c(cc1O)C1Cc3cccc(CNc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54309136
10023,C=CCc1cccc2c1CN1CCc3cc(Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74486935
10024,CC(=O)CCCN1CCN(Cc2cccc(-c3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55015665
10025,CC1(C)Nc2ccccc2OC1c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5753584
10026,CCC(=O)c1cc2c(cc1Cl)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5718925
10027,CCCOc1ccc(OC=O)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.731514
10028,CCCOc1ccc(OF)c(C2CCN(CCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6916772
10029,CCCOc1ccc(ON2CCC(c3cccc(OC)c3)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.45901927
10030,CCCOc1ccc(ON=S(C)(=O)O)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.054368056
10031,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(c3ccc(CC(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17539684
10032,CCCOc1ccc(OOC)c(-c2ccccc2N2CCNCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40152693
10033,CCCOc1ccc(OOC)c(CNC(=O)c2ccc(NC)cc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.015358062
10034,CCCOc1ccc(OS(C)(=O)=O)c(NCC(C)CC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03458462
10035,CCCOc1ccc(OSC)c(N2CCC(COCCF)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34840214
10036,CCCOc1cccc(-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52388525
10037,CCOCOc1ccc(OCCN2CCN(c3ccccc3OC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.7554293
10038,CCOc1ccccc1N1CCN(CCN2CCC(c3ccc(Br)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8600826
10039,CCOc1ccccc1OCCCOc1ccc(OCN2CCN(c3ccccc3OC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6050083
10040,CCc1ccc(C(=O)NCCOc2ccc(OC)c(N=S(C)(=O)O)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.02002218
10041,CNC(=O)CCOc1ccc(OC)c(CN2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31223327
10042,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccc(Cl)cc4)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81712323
10043,COCCCN1CCN(Cc2cccc(CCNC(=O)C=Cc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53584236
10044,COCCOc1ccc(OC)c(OCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15549374
10045,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1cc(C)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.17248562
10046,COc1cc2c(cc1C(=O)N(C)Cc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49313575
10047,COc1cc2c(cc1O)CCN1Cc3c(C#Cc4cccc(C(F)(F)F)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77485514
10048,COc1cc2c(cc1O)CCN1Cc3c(CCNc4cccc(C#N)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51031226
10049,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(cccc3Oc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70727724
10050,COc1ccc(C2CCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.628501
10051,COc1ccc(OCCCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.8517811
10052,COc1ccc(OCCN2CCC(S(=O)(=O)c3cccc(Cl)c3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.7501192
10053,COc1ccc(OCCN2CCN(Cc3ccc(F)c(F)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3820891
10054,COc1ccc(OCCN=S(C)(=O)O)cc1Cn1cc(C2CCCCC2)cc1O,[*]CCOc1ccc(O[*])c([*])c1,0.117082715
10055,COc1ccc(OCCNCc2ccc(OC3CCCCC3)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.21357599
10056,COc1ccc2ccc(CC3CCN(CCOc4ccc(ONS(C)(=O)=O)c(C)c4)CC3)cc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.5190938
10057,COc1cccc(-c2cccc3c2CN2CCc4cc(C)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.533288
10058,COc1cccc(C#Cc2cccc3c2CN2CCc4cc(C)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72861755
10059,COc1cccc(C2CCN(COc3ccc(OCCF)cc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5333898
10060,COc1cccc2c1CN1CCc3cc(N(C)Cc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70879465
10061,COc1cccc2c1CN1CCc3cc(OCc4ccc(CF)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6063554
10062,COc1cccc2c1CN1CCc3cc(ONCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66773117
10063,COc1ccccc1C1CCCN(CCOc2ccc(OOS(C)(=O)=O)c(C)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.47520968
10064,COc1ccccc1Cc1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.50170976
10065,COc1ccccc1N1CCN(CCN2CCC(Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8452916
10066,COc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3cccc(Cl)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8524868
10067,COc1ccccc1N1CCN(Oc2ccc(OCCNC=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31581977
10068,CS(=O)(=O)NOc1ccc(OCCF)cc1N1CCN(CCc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7105839
10069,CSC1CCN(CCN2CCN(c3ccccc3S(=O)(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6084762
10070,CSOc1ccc(OCCN2CCC(C(=O)c3ccc(C)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.42014086
10071,Cc1cc(OCCCN2CCC(c3ccccc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.6655534
10072,Cc1cc(OCCCOc2ccc(F)cc2)ccc1ON(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10859545
10073,Cc1cc(OCCN2CCC(Oc3ccc(CC4CCCCC4)cc3)C2)ccc1OCS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.36238047
10074,Cc1cc(OCCN2CCC(c3cccc(C(F)(F)F)c3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.69831026
10075,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)CCC(O)C3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.15307759
10076,Cc1cc(OCCNS(=O)(=O)Cc2ccccc2)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.08573259
10077,FCCCN1CCN(Cc2cccc(Cc3ccc(F)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6332972
10078,Fc1cc2c(cc1Cc1ccccc1)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5852144
10079,N#Cc1ccc2cc(-c3cc4c(cc3O)C3Cc5cccc(O)c5CN3CC4)ccc2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64354163
10080,O=C(NCc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1ccc(C#Cc2ccccc2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7247863
10081,O=C1CC(=O)N(CCCN2CCN(Cc3cccc(Cl)c3)CC2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6508521
10082,O=C1c2ccccc2CCN1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7493674
10083,O=[N+](Cc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2)c1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5176305
10084,OC1CCN(CCN2CCN(c3ccccc3Cc3cnc(-c4ccccc4)o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7315687
10085,Oc1cc2c(cc1F)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8217732
10086,CC(=O)Nc1cccc(C2CCN(CCN3CCN(c4ccccc4C(C)C)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.59872854
10087,CC(C)Oc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8340613
10088,CCCOc1ccc(ON(C)C)c(N2CCC(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.363829
10089,CCN(Cc1ccccc1)Cc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6957017
10090,CCOCc1cc2c(cc1Oc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6843611
10091,CCOc1cc2c(cc1-c1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66115075
10092,CCOc1ccccc1N1CCN(CCN2CCC(c3cccnc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6967734
10093,CCc1ccccc1C1CCN(CCCOc2ccc(OC)c(C(C)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6432361
10094,COC1CCN(CCN2CCN(c3ccccc3-n3c(O)cc4cc(O)ccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77140415
10095,COCCCN1CCN(Cc2cccc(NS(=O)(=O)c3cc4ccccc4s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4116139
10096,COCCOc1ccc(OCF)c(CN2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5733242
10097,COc1cc2c(cc1C(=O)N(C)Cc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4804747
10098,COc1cc2c(cc1C(=O)Nc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41043684
10099,COc1cc2c(cc1Cc1c[nH]c3ccccc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77933407
10100,COc1cc2c(cc1Cl)CCN1Cc3c(cccc3C(=O)OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4344266
10101,COc1cc2c(cc1O)C1Cc3cccc(CNCc4ccc(OC(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6649803
10102,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccccc1OCc1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.336376
10103,COc1ccc(COC(=O)Oc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52262866
10104,COc1ccc(OCCCCNC(=O)c2ccc(F)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.034272447
10105,COc1ccc(OCCN2CCC(CCc3ccc(F)cc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.71897674
10106,COc1ccc(OCCN2CCC(c3ccc(F)cc3)C2=O)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.34064096
10107,COc1ccc(OCCN2CCNC2=O)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.21585165
10108,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19646053
10109,COc1ccc(OCCOS(C)(=O)=O)cc1N1CCC(Oc2ccc(C(C)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.14768723
10110,COc1ccc(OCCS(C)(=O)=O)cc1CC1CCCCN1CCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.2561217
10111,COc1ccc(OCCS(C)(=O)=O)cc1CCC1CCc2ccccc2C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.2320091
10112,COc1ccc(OCCS(C)(=O)=O)cc1CCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.2598996
10113,COc1ccc(OCCS(C)(=O)=O)cc1COc1ccccc1CC(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.115971625
10114,COc1ccc(OCCc2ccc(CC(C)=O)cc2)cc1CN1CCNC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.14105947
10115,COc1ccc2nc(O)n(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)c2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65176934
10116,COc1cccc(CN2CCN(CCCC3OCCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6413148
10117,COc1cccc(CN2CCN(CCCCNC(=O)c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5752818
10118,COc1cccc2c1CN1CCc3cc(-c4ccc(COc5ccccc5)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6553717
10119,COc1cccc2c1CN1CCc3cc(-c4cccc(Cl)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6807081
10120,COc1cccc2c1CN1CCc3cc(C(=O)Oc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47865537
10121,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(C(C)=O)CC2)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.1922528
10122,COc1ccccc1N1CCN(CCN2CCC(n3c(O)nc4cccc(F)c43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82766277
10123,COc1ccccc1NCCOc1ccc(ONS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.034714464
10124,Cc1cc(OCCC(F)COc2ccccc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.047846332
10125,Cc1cc(OCCCF)ccc1ON1CCN(C(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.10314207
10126,Cc1cc(OCCF)ccc1OCN1CCN(C)C(=O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.32107744
10127,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCCC(c2ccc(OCC(F)(F)F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.12625265
10128,Cc1cc(OCCNC(=O)c2ccc(OC3CCNCC3)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.039417952
10129,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCN(c2ccc(C(C)C)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.17321414
10130,Cc1cccc2c1CN1CCc3cc(-c4cccc(OC(F)(F)F)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5027949
10131,FC(F)(F)CCCN1CCN(Cc2cccc(CSc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.47230878
10132,FC(F)(F)c1ccccc1N1CCN(CCN2CCC(c3cc4ccccn4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72679025
10133,Fc1ccccc1N1CCN(CCN2CCC(c3ccc(Oc4ccccc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6194978
10134,N#Cc1ccccc1N1CCN(CCN2CCC(c3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8770158
10135,O=C(Nc1cccc(Cl)c1)Nc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.24658589
10136,O=C(Nc1ccccc1N1CCN(CCN2CCC(O)CC2)CC1)c1cnc2ccccc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.40466768
10137,O=C(c1ccccc1)C1CCCCN1C(=O)CCCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48874775
10138,O=C1COc2ccc(CCCN3CCN(Cc4cccc(Cl)c4)CC3)cc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67440677
10139,O=S(O)(O)=Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5569824
10140,O=S1(=O)NC(CCCN2CCN(Cc3cccc(Cl)c3)CC2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6744086
10141,O=c1ccccn1-c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70087606
10142,O=c1nc(-c2ccccc2)ccn1-c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63701934
10143,Oc1cc2c(cc1Oc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79553944
10144,Oc1cc2cccc(-c3cccc(CN4CCN(CCCCl)CC4)c3)c2[nH]1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54146886
10145,C=Cc1ccc(Cc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6797136
10146,CC(C)c1ccccc1N1CCN(CCN2CCC(c3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7304398
10147,CCCCc1ccccc1CCOc1ccc(OC)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10375397
10148,CCCOc1ccc(OCN)c(CNC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.027129551
10149,CCCOc1ccc(ON=S(C)(=O)O)c(NCC2Cc3ccccc3CCC2O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3445516
10150,CCCOc1ccc(ON=S(C)(=O)O)c(NCc2cccs2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04465799
10151,CCCOc1ccc(OOC)c(CNC(=O)c2ccncc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.025536146
10152,CCCOc1ccc(OOC)c(N2CCC(C(=O)Nc3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07894895
10153,CCCOc1ccc(OS(=O)(=O)N(C)C)c(-c2cc(CCC)ccc2OC2CCNCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27579987
10154,CCCOc1ccc(OS(N)(=O)=O)c(OCCc2cccs2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12609196
10155,CCCOc1ccc(OSC)c(N2CCC(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3497426
10156,CCCc1cn(CCC)n(Cc2cc(OCCc3ccc(F)cc3)ccc2OOC)c1=O,[*]CCOc1ccc(O[*])c([*])c1,0.10921889
10157,CCOc1ccc(CN2CCN(CCOc3ccc(OC)c(OC)c3)CC2)o1,[*]CCOc1ccc(O[*])c([*])c1,0.44172928
10158,CCOc1ccccc1N1CCN(CCN2CCC(COc3ccc4ccc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71615213
10159,CN(C)C(=O)NCC1CCN(CCN2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.57186055
10160,COC1CCN(CCN2CCN(c3ccccc3Oc3cnn4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7810775
10161,COc1cc2c(cc1O)C1Cc3cccc(-c4ccccc4OC(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6204129
10162,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(Br)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7312946
10163,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74458665
10164,COc1cc2c(cc1OC)C1Cc3cccc(-c4cc(CO)ccn4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58074784
10165,COc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(OCc5ccccc5)cc4C2C3)c(OC)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6212702
10166,COc1ccc(OCCF)cc1CC1CCN(C(=O)c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.10105636
10167,COc1ccc(OCCF)cc1N1CCN(C(=O)c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.088505685
10168,COc1ccc(OCCN2CCC(NS(=O)(=O)c3cc(Cl)ccc3F)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.66034627
10169,COc1ccc(OCCN2CCC(c3ccccc3OC3CC3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6121679
10170,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(Oc2cc3c(cc2F)CCC(=O)N3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.32278025
10171,COc1ccc(OCCOS(C)(=O)=O)cc1N1CCC(Cc2ccc3c(c2)NC(=O)CCC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.34257975
10172,COc1ccc(OCCS(C)(=O)=O)cc1C1CCC(CN2CCC(=O)CC2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.40384105
10173,COc1ccc(OCCS(N)(=O)=O)cc1N1CCC(CCc2cc3c(s2)CCC(=O)N3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25999475
10174,COc1ccc2cc(CC3CCN(CCOc4ccc(OS(C)(=O)=O)c(C)c4)CC3)ccc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.5423394
10175,COc1cccc(CN2CCN(CCCNC(=O)c3cccc4ccccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.31636608
10176,COc1cccc(COc2cc3c(cc2O)CCN2Cc4c(O)cccc4CC32)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6673066
10177,COc1cccc2c1CN1CCc3cc(C4=CC(CCF)=CC=CO4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5923184
10178,COc1cccc2c1CN1CCc3cc(NC(=O)Nc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.33751154
10179,COc1ccccc1N1CCN(CCN2CCC(C3=CC(O)=Nc4ccc3cc4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68304056
10180,COc1ccccc1N1CCN(CCN2CCC([SH](O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7969132
10181,COc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccc(F)cc4)ncn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75269353
10182,COc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccc(F)cc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8394211
10183,COc1ccccc1N1CCN(CCN2CCC(c3ccc(O)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85271263
10184,COc1ccccc1N1CCN(CCN2CCC(c3cnc(C(F)(F)F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85279304
10185,Cc1cc(OCCC(C)COc2ccccc2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09259226
10186,Cc1cc(OCCF)ccc1ON1CCC(Cc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3775372
10187,Cc1cc(OCCN2CCC(C(=O)c3ccccc3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.50684166
10188,Cc1cc(OCCN2CCC(Cc3ccc(OC4CCC(=O)NC4)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.55458444
10189,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCC4)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5237707
10190,Cc1cc(OCCNC(=O)COc2ccccc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.021287538
10191,Cc1cc(OCCNC(=O)c2cccc(C3CCCN3)c2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.051340032
10192,Cc1cc(OCCNCCc2ccccc2OC2CCNC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2605653
10193,Cc1cc(OCCO)ccc1ONCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.06693657
10194,Cc1ccc(COc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58541477
10195,Cc1cccc(CN2CCN(CCCc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6993682
10196,Cc1ccn(C2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72073746
10197,Cc1cn(C2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)c(O)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68555284
10198,O=C1CCCN1c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5593388
10199,Oc1cc(-c2ccccc2)cn1C1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.88147384
10200,Oc1cc(-c2ccccc2)cn1C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8877372
10201,Oc1cccc2c1CN1CCc3cc(-c4c[nH]c5ccc(F)cc45)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6039597
10202,Oc1cccc2c1CN1CCc3cc(C=NOc4cccc(C(F)(F)F)c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64678824
10203,CC(=O)N1c2ccccc2CC1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7268377
10204,CC(C)c1ccccc1N1CCN(CCN2CCC(n3ccc(-c4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7164545
10205,CCCOc1ccc(OCC(=O)c2ccc(F)cc2)c(CNc2ccccc2OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.016499389
10206,CCCOc1ccc(OCCCOc2ccccc2)c(N(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20338622
10207,CCCOc1ccc(OCCOc2ccccc2C(C)C)c(CS(N)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12061744
10208,CCCOc1ccc(OCl)c(CCCc2ccc3ccccc3c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14829339
10209,CCOc1ccccc1N1CCN(CCN2CCC(n3cccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7720426
10210,CCc1ccccc1C1CCN(Oc2ccc(OCCNC)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31988788
10211,CN(C)S(=O)(=O)Oc1ccc(OCCF)cc1CC(=O)NCC1CCCCC1S(=O)(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.0273837
10212,CNC(=O)c1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4944616
10213,COC(=O)c1cc2c(cc1Cc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5089561
10214,COC1CCN(CCN2CCN(c3ccccc3-c3nc4ccccc4s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.758165
10215,COCCOc1ccc(OC)c(C2CC2Cc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25982845
10216,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccc2ccccc2c1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.34653628
10217,COc1cc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)ccc1C(C)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.9306761
10218,COc1cc2c(cc1O)CCN1Cc3c(C#Cc4cccc(F)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.80059
10219,COc1cc2c(cc1OC)C1Cc3cccc(C4CCN(OCc5ccccc5)CC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6772763
10220,COc1cc2c(cc1OC)C1Cc3cccc(CNCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68400174
10221,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(Br)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.799922
10222,COc1ccc(C(=O)NCCN2CCN(OC(C)=O)CC2)cc1-c1ccccc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.343367
10223,COc1ccc(N=Cc2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64777297
10224,COc1ccc(Nc2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52924573
10225,COc1ccc(OCCCNC(=O)c2ccc3c(c2)CCCC3)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.12527041
10226,COc1ccc(OCCN2CCC(c3ccccc3OC3CCCC3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.66662025
10227,COc1ccc(OCCOC2CCCCC2)cc1NC(=O)c1ccccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.055407744
10228,COc1ccc(OCCS(N)(=O)=O)cc1NCc1cccs1,[*]CCOc1ccc(O[*])c([*])c1,0.06851465
10229,COc1cccc(C(F)(F)F)c1C(=O)NC1CCN(CCN2CCN(c3ccccc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71055484
10230,COc1cccc(C(O)c2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64309615
10231,COc1cccc2c1CN1CCc3cc(-c4cccc(C(C)C)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5464096
10232,COc1cccc2c1CN1CCc3cc(C(=O)NCc4ccncc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44154462
10233,COc1cccc2c1CN1CCc3cc(C(=O)c4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49989912
10234,COc1cccc2c1CN1CCc3cc(OCc4ccc([N+](=O)[O-])cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45862946
10235,COc1ccccc1-c1cc(C(=O)NCCN2CCN(C#N)CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33241278
10236,COc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3cc(C)ccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78871137
10237,COc1ccccc1N1CCN(CCN2CCC(Oc3ccc4c(c3)CCC(=O)N4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7694829
10238,COc1ccccc1N1CCN(CCN2CCC(Oc3cccc4cc(O)nc-4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70988846
10239,COc1ccccc1N1CCN(CCN2CCC(c3cn(O)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.861474
10240,COc1ccccc1NC1CCN(CCOc2ccc(ON=S(C)(=O)O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.423186
10241,COc1ccccc1Nc1ccccc1N1CCN(CCN2CCC(C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.46267113
10242,CSOc1ccc(OCCN2CCC(C(=O)c3ccc(C(C)=O)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5219975
10243,CSOc1ccc(OCCN2CCC(c3ccc(SC)cc3C(C)=O)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.39177185
10244,CSc1ccc(C(C)CCCOc2ccc(ON3CCCCC3)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.15736191
10245,Cc1cc(OCCCN2C(=O)CCc3ccc(CCC(F)(F)F)cc32)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.27584115
10246,Cc1cc(OCCN2CCC(Cc3cccs3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5070917
10247,Cc1cc(OCCN2CCCC(Oc3ccc4ccccc4c3)C2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.37566003
10248,FC(F)(F)Oc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccccn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80487776
10249,FC(F)(F)c1cccc(CN2CCN(CCCCNc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5628376
10250,N#Cc1ccc(CCc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76581025
10251,N#Cc1cccc(Oc2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6965902
10252,O=C(NCc1ccc(F)cc1)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7475006
10253,O=C(c1cnc2ccccn12)C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6873313
10254,O=S1(=O)Cc2ccccc2N1CCCCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.800943
10255,O=S1(=O)Cc2ccccc2N1Cc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.74777526
10256,OC(c1ccccc1)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6235455
10257,OC1CCN(CCN2CCN(c3ccccc3-c3cnc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6984415
10258,Oc1[nH]c(-c2cccc(CN3CCN(CCCCl)CC3)c2)c2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5988757
10259,Oc1cc2c(cc1C=Cc1ccccc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6732835
10260,Oc1cc2ccccc2n1-c1cccc(CN2CCN(CCCOC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65488356
10261,C=CCN1CCCCC1C(=O)c1cc(OCCF)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.16100399
10262,CC(C)C1CCN(CCN2CCN(c3ccccc3C(=O)c3ccc(C#N)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6671049
10263,CC(C)Oc1ccccc1N1CCN(CCN2CCC(C(=O)Nc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67888856
10264,CC1C(=O)c2ccccc2N1c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6088244
10265,CC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccnc4ccc(O)cc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4221546
10266,CCCOCOc1ccc(OCCC)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8073839
10267,CCCOc1ccc(ONC)c(CCNC(=O)c2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.028145792
10268,CCCOc1ccc(ONS(C)(=O)=O)c(OC2CCC(Oc3ccc(CCC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16278014
10269,CCCOc1ccc(OOC)c(CNc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11810351
10270,CCCOc1ccc(OS(C)(=O)=O)c(C2CCC(CN3CCC(C(F)(F)F)CC3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.515864
10271,CCCOc1ccc(OS(N)(=O)=O)c(OC(=O)CCc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16814004
10272,CCCOc1ccc(OSC)c(C(=O)COc2ccccc2N2CCCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11141376
10273,CN(C)c1ccc(-c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67260087
10274,COC(=O)c1cc2c(cc1O)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5554799
10275,COCCCN1CCN(Cc2cccc(CC(=O)N3CCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3867331
10276,COCCCN1CCN(Cc2cccc(N=C3C(=O)Nc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5703689
10277,COCCOc1ccc(OCN2CCC(CF)c3c(C)cccc3C2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.52437043
10278,COOc1ccc(OCCC(=O)COc2ccc3c(c2)CCC(=O)N3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.10711594
10279,COOc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.85589236
10280,COc1cc2c(cc1O)C1Cc3cccc(CNCc4ccccc4[N+](=O)[O-])c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44703415
10281,COc1ccc(C2CCN(Oc3ccc(OCCOS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.20466787
10282,COc1ccc(COc2cc3c(cc2OC)C2Cc4cccc(OCc5ccccc5)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7580259
10283,COc1ccc(OCCC(C)=O)cc1CC1CCN(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.44052067
10284,COc1ccc(OCCCC(=O)c2ccc(F)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.110983305
10285,COc1ccc(OCCN(C)C)cc1CNC(=O)c1ccc(CF)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.028346095
10286,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCC4)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.65594625
10287,COc1ccc(OCCN2CCN(CCc3ccc(F)cc3)C2=O)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.298738
10288,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(COc2cccc3c2NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.35358626
10289,COc1ccc(OCCN=S(C)(C)=O)cc1N1CCC(COc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3548289
10290,COc1ccc(OCCNC(=O)CCc2ccc(F)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.025338538
10291,COc1ccc(OCCO)cc1NCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.093319446
10292,COc1ccc(OCCOCC(C)C)cc1NS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06217966
10293,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(CCOc2ccc3c(c2)NC(=O)CC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.36010534
10294,COc1ccc(OCCS(N)(=O)=O)cc1N1CCCC(COc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3046973
10295,COc1cccc(COc2cc3c(cc2OC)C2Cc4cccc(Cc5ccccc5)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67124677
10296,COc1cccc(COc2cc3c(cc2OCc2ccccc2)CCN2Cc4c(cccc4OC)CC32)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65479624
10297,COc1cccc2c1CN1CCc3cc(-c4cc(C)c[nH]4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6885271
10298,COc1cccc2c1CN1CCc3cc(OC(=O)Nc4ccccc4Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3396773
10299,COc1ccccc1NC1CCN(CCOc2ccc(OS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5652402
10300,CSc1ccc(C2CCN(CCCOc3ccc(OOS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.74202746
10301,CSc1ccc(C2CCN(CCOc3ccc(OCCS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.68798774
10302,CSc1ccc(CNCCOc2ccc(OS(C)(=O)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.121651515
10303,Cc1cc(OCCN2CCC(CCc3ccc4c(c3)NC(=O)CCC4)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6479758
10304,Cc1cc(OCCN2CCCC(Cc3ccc(F)cc3F)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.44436985
10305,Cc1cc(OCCNC(=O)COc2ccc3c(c2)CNCC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.065289475
10306,Cc1cc(OCCNC(=O)Cc2ccc(F)cc2)ccc1ON(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.013366386
10307,Cc1cc(OCCNCCc2ccc3c(c2)CCC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.19078341
10308,Cc1cc(OCCNCc2ccc(S(C)(=O)=O)cc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13355993
10309,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(Cc2ccc(OC3CCCS3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22186996
10310,Cc1cc(OCCOS(=O)(=O)C(F)(F)F)ccc1ON1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2615433
10311,Cc1cccc2c1CN1CCc3cc(C4CCCC4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46377504
10312,FC(F)(F)c1ccccc1N1CCN(CCN2CCC(c3ccco3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7422969
10313,NC(CCc1ccccc1)c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7262023
10314,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)C1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.568198
10315,O=C(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1ccc2ccc(O)cc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4354681
10316,O=C(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1cccs1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4366271
10317,O=C1c2c(F)cccc2CC1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6833467
10318,O=S1(=O)CCCN1c1ccccc1CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65836096
10319,O=S1(=O)Cc2ccccc2N1CCCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.800943
10320,OC1OC(CCCN2CCN(Cc3cccc(Cl)c3)CC2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.74116004
10321,OCCCCN1CCN(Cc2cccc(-c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7249022
10322,CC(C)OC1CCN(CCN2CCN(c3ccccc3-c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82002693
10323,CC1CCN(CCN2CCN(c3ccccc3COc3ccc4c(c3)NC(=O)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7200363
10324,CCCOc1ccc(OCNC(=O)c2ccc(C)o2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.012586459
10325,CCCOc1ccc(ONS(C)(=O)=O)c(NC(=O)COc2ccc(C=O)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0054863053
10326,CCCOc1ccc(OOC)c(CCNC(=O)c2ccc(N)cc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04543505
10327,CCCOc1ccc(OSC)c(N2CCC(Oc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4307033
10328,CCOc1cc2c(cc1O)C1Cc3cccc(-c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56334335
10329,CCOc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc(F)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7171205
10330,CCOc1ccccc1N1CCN(CCN2CCC(COc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8395886
10331,CNCCOc1ccc(OC)c(CN2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6055382
10332,COC(=O)C1C(=O)N(CCCN2CCN(Cc3cccc(Cl)c3)CC2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.44965988
10333,COC1CCN(CCN2CCN(c3ccccc3-c3nc(O)ncc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77105945
10334,COC1CCN(CCN2CCN(c3ccccc3C(O)c3ccc(-c4ccccc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7459975
10335,COC1CCN(CCN2CCN(c3ccccc3S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6339147
10336,COCCCN1CCN(Cc2cccc(CN(C(C)=O)C3CCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59834385
10337,COCCCN1CCN(Cc2cccc(Cn3ccc(C(F)(F)F)cc3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49029008
10338,COCCOc1ccc(OC)c(CNC(=O)c2ccccc2C2CCCN2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15406005
10339,COOc1ccc(OCCCCOc2ccccc2C(C)C)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.13936667
10340,COc1cc2c(cc1-c1ccc([N+](=O)[O-])cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4895495
10341,COc1cc2c(cc1C(=O)Nc1ccccc1C)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3112092
10342,COc1cc2c(cc1O)C1Cc3cccc(C(=O)OCc4cccc([N+](=O)[O-])c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41837695
10343,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(CNC(C)(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5929475
10344,COc1cc2c(cc1OC)C1Cc3cccc(OCc4ccc(SC)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7106676
10345,COc1cc2c(cc1OC1CC1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8214374
10346,COc1cc2c(cc1OCc1ccc(C)cc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5823378
10347,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(-c4ccccc4C#N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61668646
10348,COc1ccc(Cc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c(OC)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.809444
10349,COc1ccc(OCCC(C)C)cc1CN1CCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7153644
10350,COc1ccc(OCCCN2CCN(C(C)=O)CC2)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.40104768
10351,COc1ccc(OCCF)cc1CNS(=O)(=O)c1cccc(C(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09069546
10352,COc1ccc(OCCN(C)C)cc1NC(=O)Cc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.05982105
10353,COc1ccc(OCCN)cc1CCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.16173796
10354,COc1ccc(OCCN2CCC(Oc3ccc(CC(F)(F)F)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.6483432
10355,COc1ccc(OCCN2CCC(c3ccc(F)cc3)CC2)cc1NC(=O)C(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.44954458
10356,COc1ccc(OCCNC(=O)c2cccs2)cc1OC1CCN(CC=S(=O)(O)c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.33357522
10357,COc1ccc(OCCNC(C)=O)cc1CN1CCC(C(=O)c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3789219
10358,COc1ccc(OCCNC=O)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.69097424
10359,COc1ccc(OCCNS(C)(=O)=O)cc1C=Cc1ccccc1OC1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.20275109
10360,COc1ccc2c(c1)CC(c1ccccc1N1CCN(CCN3CCC(OC)CC3)CC1)CC2,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7427021
10361,COc1cccc(CN2CCN(CCCCc3nc(-c4ccccc4)cs3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5594319
10362,COc1ccccc1C(=O)c1cc(C(=O)NCCN2CCN(C)CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33045754
10363,COc1ccccc1N1CCN(CCN2CCC(Nc3cncnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83663434
10364,CSOc1ccc(OCCN2CCC(NS(=O)(=O)c3cccc(C(C)C)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.64232486
10365,Cc1cc(OCCCF)ccc1ONCCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.16727875
10366,Cc1cc(OCCN=S(C)(=O)O)ccc1ONCCc1ccc(OC2CCNCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.11374744
10367,Cc1cc(OCCN[SH](C)(=O)O)ccc1ONCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.057263717
10368,Cc1ccc(OCCCCOc2ccc(OS(C)(=O)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.08228528
10369,ClCCCN1CCN(Cc2cccc(Cc3cccc4c3Nc3ccccc3C4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6636547
10370,Fc1ccc(-c2ccccc2)nc1-c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6177724
10371,Fc1ccc(F)c(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8044041
10372,O=C(C=Cc1ccccc1)N(O)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6043714
10373,O=C(C=Cc1ccccc1)NCCCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6552997
10374,O=C(NCc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2)c1cccc(Cl)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36972463
10375,O=C1c2ccccc2C(=O)N1CCc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66778773
10376,O=C1c2ccccc2Cc2c1cccc2-c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6276173
10377,Oc1ccc2ccccc2c1-c1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62541443
10378,Oc1nc(-c2ccc(F)cc2)cn1C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7934991
10379,Oc1nc2cc(-c3cccc(CN4CCN(CCCCl)CC4)c3)ccc2[nH]1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6387116
10380,C#Cc1ccc(-c2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7047697
10381,C=S(O)(O)=NOc1ccc(OCCNCCc2cccs2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.12809123
10382,CC(C)Oc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80395657
10383,CCCOCc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7529706
10384,CCCOc1ccc(OCN)c(NC(=O)Cc2ccc3c(c2)CC(C)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18463203
10385,CCCOc1ccc(OF)c(COc2cccc(NC(C)=O)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.028483814
10386,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCCC(CCc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24865642
10387,CCCOc1ccc(ONS(C)(=O)=O)c(NCC2CCc3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40649647
10388,CCCOc1ccc(OS(C)(=O)=O)c(C=CCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08908859
10389,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(c3ccc(OCC(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28330317
10390,CCCOc1ccc(OSC)c(NCCc2ccc(OC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.094799146
10391,CCOc1cc2c(cc1OC)CCC(=O)N2CCOc1ccc(OSC)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20070292
10392,CCOc1cccc2c1CN1CCc3cc(C)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6304522
10393,COC(=O)c1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33656558
10394,COC1CCN(CCN2CCN(c3ccccc3-n3cc(C)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7295114
10395,COC1CCN(CCN2CCN(c3ccccc3Cc3ccc(O)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7067267
10396,COCc1ccc(-c2cc3c(cc2OC)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.699434
10397,CON=CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6229637
10398,COOc1ccc(OCCCN2CCN(c3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.812091
10399,COc1cc2c(cc1CNc1ccccn1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6519167
10400,COc1cc2c(cc1Cl)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75269043
10401,COc1cc2c(cc1O)C1Cc3cccc(Cc4c[nH]c5ccc(C(C)=O)cc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5519988
10402,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73349315
10403,COc1cc2c(cc1OC)C1Cc3cccc(C=CCO)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8076858
10404,COc1ccc(Cc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6973001
10405,COc1ccc(OCCC(C)=O)cc1CCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.1939443
10406,COc1ccc(OCCC(F)COc2ccc(F)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10002353
10407,COc1ccc(OCCC(N)=O)cc1N1CCC(c2coc3ccc(F)cc23)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.16722648
10408,COc1ccc(OCCCOCCc2ccc3c(c2)CC(=O)CC3)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.25607625
10409,COc1ccc(OCCN2CCCC2C(C)=O)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.17346935
10410,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(O)(c2ccc(SC)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18096457
10411,COc1ccc(OCCNC(=O)CCc2ccccc2)cc1N=S(C)(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.027243227
10412,COc1ccc(OCCNC(=O)c2ccc(C(C)C)cc2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.026663609
10413,COc1ccc(OCCS(C)(=O)=O)cc1C1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.17420839
10414,COc1ccc(OCCS(C)(=O)=O)cc1C=Cc1ccccc1OC1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.215633
10415,COc1ccc2c(c1)CC(Nc1ccccc1N1CCN(CCN3CCC(OC)CC3)CC1)CC2,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5209079
10416,COc1ccc2ccc(C(=O)Nc3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)cc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.42122492
10417,COc1cccc(CN2CCN(CCCCC3(C)CCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64334315
10418,COc1cccc(CN2CCN(CCCCNC(=O)c3ccc(C(C)(C)C)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5755385
10419,COc1ccccc1N1CCN(CCN2CCC(c3cccc(N)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7737481
10420,COc1ccccc1N1CCN(CCN2CCC(n3cc(F)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84299856
10421,CSOc1ccc(OCCNCCc2ccsc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.18637405
10422,Cc1cc(OCCCOc2ccccc2C(C)C)ccc1ON1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3793132
10423,Cc1cc(OCCN2CCC(c3ccccc3C)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5466931
10424,Cc1cc(OCCN2CCN(Cc3cccc(F)c3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.4873324
10425,Cc1cc(OCCc2ccc(F)cc2)ccc1ON1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.38969594
10426,Cc1cc2c(cc1C(=O)Nc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.26526007
10427,Cc1cccc(CN2CCN(CCCC3Nc4ccccc4C(=O)N3c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53657234
10428,FC(F)(F)OCCCN1CCN(Cc2cccc(-c3ncc(-c4ccccc4)s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5712463
10429,FC(F)(F)c1ccccc1N1CCN(CCN2CCC(Cc3cc4ccccn4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7579104
10430,Fc1ccccc1N1CCN(CCN2CCC(F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69577557
10431,O=C(C=Cc1ccccc1)Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35742867
10432,O=C(O)Nc1cccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.24328017
10433,O=C1c2ccccc2CCN1Cc1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.8164016
10434,O=[N+]([O-])C1CCN(CCN2CCN(c3ccccc3-n3c(O)nc4cc(F)ccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5831506
10435,OC1CCN(CCN2CCN(c3ccccc3-c3ccncc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7559927
10436,Oc1cc2c(cc1NCc1ccc(F)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40614387
10437,Oc1ccc(-c2ccccc2N2CCN(CCN3CCC(C(F)(F)F)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8291685
10438,Oc1cccc(CN2CCN(CCCc3ccc4c(c3)OCO4)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.47440773
10439,BrCCCN1CCN(Cc2cccc(C3OCCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65327215
10440,CC(=O)NCCOc1ccc(ON2CCC(c3ccc(F)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.114239715
10441,CCCC(=O)Oc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4927551
10442,CCCOc1ccc(OC)c(NC(=O)c2cccc(NC)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.016376428
10443,CCCOc1ccc(ON)c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32014784
10444,CCCOc1ccc(OOC)c(C2CCCN(Cc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5455009
10445,CCCOc1ccc(OOC)c(CC(C)Oc2ccccc2N2CCNCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.41896307
10446,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3ccccc3)C(=O)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27726918
10447,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(Oc3ccc(C)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20768781
10448,CCCOc1ccc(OS(N)(=O)=O)c(NCCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.086479396
10449,CCC[SH]=COc1ccc(OCCCN2CCN(c3ccccc3OC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.8356025
10450,CCOCCCN1CCN(Cc2cccc(-c3ccccc3O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5659806
10451,CCc1ccccc1N1CCN(CCN2CCC(c3cccc(OC)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8309083
10452,CN(Cc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2)OCc1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70074046
10453,COC1CCN(CCN2CCN(c3ccccc3-c3cc4ccc(F)cc4o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7425022
10454,COC1CCN(CCN2CCN(c3ccccc3-n3c(O)nc4c(O)cccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7329987
10455,COC1CCN(CCN2CCN(c3ccccc3C(=O)N(C)C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69496316
10456,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4c(c3)CCC(=O)N4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80455303
10457,COCCCN1CCN(Cc2cccc(CNC(=O)c3cc(C)ccc3C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3657819
10458,COCCCN1CCN(Cc2cccc(NC(=O)N3c4ccccc4CC3C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5365721
10459,CON1CCN(CCNC(=O)c2ccc(Cl)c(-c3ccc(Cl)cc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29364312
10460,COc1cc2c(cc1C(=O)NCCc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47051296
10461,COc1cc2c(cc1OC)C1Cc3cccc(Cc4cccc([N+](=O)O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61182165
10462,COc1cc2c(cc1OC)C1Cc3cccc(OCc4ccccn4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6884306
10463,COc1ccc(-c2cc(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)n[nH]2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7893083
10464,COc1ccc(OCCC(C)Cc2ccccc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.13732314
10465,COc1ccc(OCCC(O)CCc2ccc3c(c2)CC(=O)CC3)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.14633667
10466,COc1ccc(OCCCCNC(=O)c2ccc(F)cc2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.06433635
10467,COc1ccc(OCCN2CCN(Cc3ccc(Cl)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4722564
10468,COc1ccc(OCCN2CCN(c3ccccc3OC(C)C)CC2)cc1CSC,[*]CCOc1ccc(O[*])c([*])c1,0.7968045
10469,COc1ccc(OCCN=S(C)(=O)O)cc1Cc1ccc(CC(C)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.033663947
10470,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21400565
10471,COc1ccc(OCCNCC2CCc3ccccc3C2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.24738476
10472,COc1ccc(OCCOC(=O)CCc2ccccc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.049947098
10473,COc1ccc(OCCOCC(F)(F)F)cc1N1CCC(S(=O)(=O)c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28041
10474,COc1ccc(OCCOS(C)(=O)=O)cc1OC(C)Cc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.25432006
10475,COc1ccc(OCCS(C)(=O)=O)cc1C(O)COc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.05535805
10476,COc1cccc(CN2CCN(CCCc3cccc4c(C)cc(=O)oc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5077438
10477,COc1cccc(CN2CCN(CCCc3ccccc3OC)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7079742
10478,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3cc4cc(O)ccc4[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83705187
10479,COc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3cccc(C#N)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80594707
10480,COc1ccccc1S(=O)(=O)NC1CCN(CCN2CCN(c3ccccc3OC(C)C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8398291
10481,CSc1cccc(CN2CCN(CCCCNC(=O)c3cc4ccccc4s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6519453
10482,Cc1cc(OCCCN2CCN(c3ccc(Cl)cc3)CC2)ccc1OCF,[*]CCOc1ccc(O[*])c([*])c1,0.8494087
10483,Cc1cc(OCCN(C)C)ccc1ONS(=O)(=O)c1cccc(C(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.119893536
10484,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)C(=O)C4)CC2)ccc1ONS(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.53970563
10485,Cc1cc(OCCN2CCC(Oc3ccccc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.51206756
10486,Cc1cc(OCCNC(=O)Cc2ccccn2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.020793885
10487,Cc1cc2c(cc1[N+](=O)[O-])C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5538061
10488,Cc1cccc2c1C(=O)C(c1cccc(CN3CCN(CCCCl)CC3)c1)C2,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6717653
10489,Fc1ccccc1N1CCN(CCN2CCC(c3cccc(-c4cccnc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6847061
10490,N#Cc1cccc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8468921
10491,O=C(NCCN1CCN(O)CC1)c1ccc(-c2ccccc2)c([N+](=O)[O-])c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3311673
10492,O=C(c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2)C(F)(F)F,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5721492
10493,O=C1CCc2c(O)cccc2N1c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69025606
10494,O=c1c2ccccc2ncn1Cc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6152311
10495,Oc1cc2c(cc1-c1cccc(OCC(F)(F)F)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6556528
10496,Oc1cc2c(cc1O)C1Cc3cccc(Cc4cc[nH]c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.652745
10497,Oc1cc2c(cc1O)C1Cc3cccc(OCc4ccc(Oc5ccccc5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6081779
10498,CC(=O)c1cccc(S(=O)(=O)COc2ccc(OCCF)cc2CN(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.029957727
10499,CC(C)C1CCN(CCN2CCN(c3ccccc3-n3nc(-c4ccccc4)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76011336
10500,CCCC(=O)Oc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51558715
10501,CCCOc1ccc(OC)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09932451
10502,CCCOc1ccc(OC)c(N2CCC(Oc3ccc(SC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28131756
10503,CCCOc1ccc(OF)c(N2CCN(C(=O)c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.046099994
10504,CCCOc1ccc(OS(C)(=O)=O)c(Cn2cc(Cc3ccccc3)c3ccccc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12598957
10505,CCCOc1ccc(OS(C)(=O)=O)c(Oc2ccc(CCF)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.069797404
10506,CCCOc1ccc(O[SH](C)(N)=O)c(CCCc2ccc3c(c2)CC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27000752
10507,CCCSc1ccccc1N1CCN(Oc2ccc(OCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24369535
10508,CCCc1cn(-c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7538364
10509,CCNCCOc1ccc(ONS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.104455814
10510,CCOc1ccccc1N1CCN(Cc2cc(OCCNC(=O)Cc3ccc(F)cc3)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.552091
10511,CCc1ccccc1N1CCN(CCN2CCC(n3cccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7201904
10512,CN(C(=O)NCC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)c1ccccc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8176016
10513,CN1C(=O)C(CCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)Cc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68202525
10514,CNC(=O)CCOc1ccc(OC)c(NCC2CCc3cc(OC)c(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20374736
10515,CNCCOc1ccc(OC)c(CN2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7453715
10516,COC(=O)Oc1ccc(OCCN2CCN(c3cc(F)ccc3F)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.49781728
10517,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3cnn4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6854099
10518,COC1CCN(CCN2CCN(c3ccccc3Cc3cc(O)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.661421
10519,COCCCN1CCN(Cc2cccc(-c3ccc(-c4ccccc4OC)s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57383114
10520,COCc1ccc(-c2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69618666
10521,COOc1ccc(OCCN2CCC(Nc3cccc(C(C)C)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.35565564
10522,COc1cc2c(cc1-c1cc(Br)ccc1O)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.80302525
10523,COc1cc2c(cc1C)CCN1Cc3c(Cc4cccc5ccccc45)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71461505
10524,COc1cc2c(cc1N(C)C)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7034079
10525,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(COC(C)=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53472054
10526,COc1cc2c(cc1O)CCN1Cc3c(cccc3NC(C)C)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48131368
10527,COc1ccc(OCCCCNC(=O)c2ccc(F)cc2)cc1N(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.036938645
10528,COc1ccc(OCCCN2CCC(c3ccccc3F)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6761651
10529,COc1ccc(OCCN2CCC(Cc3ccc(F)cc3)CC2)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6306977
10530,COc1ccc(OCCN=S(C)(=O)O)cc1N1C=CC(=O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.067905046
10531,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1CN1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.1354483
10532,COc1ccc2cc(C(=O)c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)ncc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6544652
10533,COc1cccc(CNCCOc2ccc(OS(C)(=O)=O)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14567505
10534,COc1cccc(Cc2cc3c(cc2OC)CCN2Cc4c(O)cccc4CC32)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5479937
10535,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3568985
10536,COc1ccccc1Cc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.816826
10537,COc1ccccc1N1CCN(CCN2CCC(n3cc(C(F)(F)F)nc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78713125
10538,CSc1cccc(CN2CCN(CCCc3ccc(Cl)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7206792
10539,Cc1cc(OCCCCCc2ccccc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09152807
10540,Cc1cc(OCCF)ccc1ONC(=O)C1CCCNC1,[*]CCOc1ccc(O[*])c([*])c1,0.084935255
10541,Cc1cc(OCCN2CCC(c3ccccc3C)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.59831727
10542,Cc1cc(OCCNC(=O)COc2ccc3c(c2)NC(=O)CC3)ccc1ON[SH](C)(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.057044778
10543,Cc1cc(OCCNC(=O)Cc2ccccc2)ccc1ONCC1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.04281744
10544,Cc1cc(OCCNC2CCC(Cc3ccccc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.15099092
10545,Cc1cc(OCCNCCc2ccccc2)ccc1OCS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.19052233
10546,Cc1cc(OCCNS(=O)(=O)c2ccc(CC(F)(F)F)cc2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.040467165
10547,ClCCCN1CCN(Cc2cccc(-c3cccc(-c4cccs4)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65658593
10548,Clc1cccc(CN2CCN(CCCCNc3ccccn3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.78413945
10549,FC(F)(F)Oc1ccccc1N1CCN(CCN2CCC(c3cccc(C(F)(F)F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74122375
10550,N#Cc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccc4)nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79421026
10551,Nc1ccc(-c2cc3c(cc2Br)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6834303
10552,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)c1nc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69158787
10553,O=C(Nc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1)c1cc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.36786562
10554,O=C(Oc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2)N1C=CC=Cc2ccccc21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.31107563
10555,Oc1cc2c(cc1Cl)CCN1Cc3c(CNCc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6612932
10556,CC#Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7808218
10557,CC(=O)NCCOc1ccc(ON2CCc3ccccc3C2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16062205
10558,CCCCc1ccccc1OCCOc1ccc(OC)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14941226
10559,CCCOc1ccc(OCCC(=O)c2ccc(F)cc2)c(C(=O)Nc2cccc(OC)c2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.021896014
10560,CCCOc1ccc(OCN2CCN(c3ccccc3OC)C2=O)c(C(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11518915
10561,CCCOc1ccc(OOC)c(NCC2CCCC(Oc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12406502
10562,CCCOc1ccc(OS(=O)(=O)c2ccccc2)c(N2CCCC(Cc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18072641
10563,CCCOc1ccc(OS(N)(=O)=O)c(NCCc2ccccc2OC2CCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19697511
10564,CCCc1ccn(CCOc2ccc(OC)c(S(C)(=O)=O)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09316651
10565,CCOCCCN1CCN(Cc2cccc(NC(=O)c3cc4ccccc4s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.32348698
10566,COC(=O)Nc1cccc(Cc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36058357
10567,COC(=O)c1cccc(CN2CCN(CCCc3ccc(C)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.31744853
10568,COCC1CCCCN1CCOc1ccc(OC)c(CS(N)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25832078
10569,COCCCN1CCN(Cc2cccc(-c3ccc(-c4ccccc4)o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5160714
10570,COCCCN1CCN(Cc2cccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3580898
10571,COCCOc1ccc(OC)c(N2CCN(C(F)c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2724229
10572,COCCOc1ccc(ON2CCC(c3ccccc3)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.42856085
10573,COOc1ccc(OCCN2CCN(c3cc(F)ccc3S(C)=O)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.66446877
10574,COOc1ccc(OCCN2CCc3ccccc3C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5024304
10575,COc1cc2c(cc1O)CCN1Cc3c(cccc3NC=Cc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48052844
10576,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccccc4COc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6046495
10577,COc1ccc(-c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)nn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7200615
10578,COc1ccc(C#Cc2cccc3c2CN2CCc4cc(O)c(OCc5ccccc5)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72440517
10579,COc1ccc(OCCC(C)COc2ccc(F)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.11941454
10580,COc1ccc(OCCC=Cc2ccco2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.14700742
10581,COc1ccc(OCCCC(=O)c2cc3ccccc3s2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.09086113
10582,COc1ccc(OCCCN2CCN(CC(C)=O)C2=O)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.24430645
10583,COc1ccc(OCCF)cc1CC1CCN(S(=O)(=O)c2ccc(C(N)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.07048307
10584,COc1ccc(OCCN2CCN(c3ccccc3C(C)=O)CC2)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.7248531
10585,COc1ccc(OCCNC(=O)c2ccc3ccccc3c2)cc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.03327253
10586,COc1ccc(OCCNC(C)=O)cc1CN1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.33547974
10587,COc1ccc(OCCNC=O)cc1N1CCC(Oc2ccc3c(c2)NC(=O)CCC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.39198065
10588,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(c2ccc(OCC(F)(F)F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2601142
10589,COc1ccc(OCCSC)cc1Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.10619021
10590,COc1ccc(OCCc2ccc(S(C)(=O)=O)cc2)cc1NC1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.101242445
10591,COc1cccc(CN2CCN(CCCS(=O)(=O)c3cccc4cc(C)ccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46420324
10592,COc1cccc(OCc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75303847
10593,COc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3cc4ccc3CCc3ccc(cc3)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76862174
10594,COc1ccccc1N1CCN(CCN2CCC(CNS(=O)(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7897424
10595,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(-c4ccncn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8343936
10596,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cnc4ncccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72965354
10597,Cc1cc(OCCF)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.052904736
10598,Cc1cc(OCCN2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.51325333
10599,Cc1cc(OCCN2CCC(c3ccccc3C(F)(F)F)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.63246655
10600,Cc1cc(OCCN2CCCC(Cc3ccc(OC4CCCCC4)cc3)C2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3180555
10601,Cc1cc(OCCN2CCCC(c3ccc(F)cc3)C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.39938888
10602,Cc1cc(OCCNS(=O)(=O)c2ccc(F)cc2)ccc1OS(=O)(=O)C1CCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.1113775
10603,Cc1cccc(CN2CCN(CCCc3cc(C=Cc4ccccc4)no3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6359902
10604,Cc1cccc2c1CN1CCc3cc(CNC(=O)c4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.30739826
10605,Cc1ccccc1OC1CCN(Oc2ccc(OCCNCc3ccccc3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.32464162
10606,ClC1CCN(CCN2CCN(c3ccccc3-n3cc(-c4ccccc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7782523
10607,Fc1cccc(CN2CCN(CCCCOc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6522533
10608,NS(=O)(O)=Cc1cc2c(cc1Cl)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5430872
10609,O=C(Nc1ccccc1N1CCN(CCN2CCC(O)CC2)CC1)c1cc(O)nc2ccccc12,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.3690875
10610,O=C1C(=O)N(CCCCN2CCN(Cc3cccc(F)c3)CC2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.685116
10611,O=C1NC(c2ccccc2)=NC1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53743666
10612,O=[N+]([O-])C1CCN(CCN2CCN(c3ccccc3-n3ccnc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.58737767
10613,O=c1oc2ccccc2n1CCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.640418
10614,C=Cc1cccc2c1CN1CCc3cc(OCc4ccccc4)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7437807
10615,CC(C)Oc1ccccc1N1CCN(CCN2CCC(NC(=O)Nc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6665757
10616,CC(C)c1ccccc1N1CCN(CCN2CCC(n3nccc3-c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.660167
10617,CCCOc1ccc(OCN2CCN(Cc3ccc(Cl)cc3)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.50046945
10618,CCCOc1ccc(ON2CCN(C(C)=O)CC2)c(CN2CCCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14772129
10619,CCCOc1ccc(OOC)c(N2CCN(CC(=O)c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34570706
10620,CCCOc1ccc(OOC=O)c(N2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31730378
10621,CCOC(=O)c1cc(OCCN2CCN(c3ccc(F)cc3)CC2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.48299217
10622,CCOCCCN1CCN(Cc2cccc(-c3ccc4c(c3)NC(=O)CC4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6631721
10623,CCOc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc4ncccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7338735
10624,CCOc1ccccc1N1CCN(CCN2CCC(c3cc(F)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79479086
10625,CCOc1ccccc1N1CCN(COc2ccc(OCCN=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5245196
10626,CCSc1cc(OCCN2CCN(c3ccccc3OC(C)C)CC2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.6667612
10627,CCSc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccc4)c(C)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6354322
10628,COC1CCN(CCN2CCN(c3ccccc3-c3nccc(F)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.767968
10629,COC1CCN(CCN2CCN(c3ccccc3-n3c(O)cc4cc5ccccc5cc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77396923
10630,COCCOc1ccc(OC)c(N2CCCN(c3ccccc3OCCF)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3826102
10631,COc1cc2c(cc1Cc1cc3ccccc3[nH]1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7189176
10632,COc1cc2c(cc1O)C1Cc3cccc(C=CCOc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7213748
10633,COc1cc2c(cc1O)CCN1Cc3c(cccc3CS(=O)(=O)c3ccc(C)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40600613
10634,COc1cc2c(cc1O)CCN1Cc3c(cccc3SC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77328247
10635,COc1cc2c(cc1OC)C1Cc3cccc(CNC(=O)OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.445009
10636,COc1ccc(OCCN2CCC(Cc3cccs3)CC2)cc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.65985215
10637,COc1ccc(OCCN2CCC(Oc3ccc(Cl)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5712331
10638,COc1ccc(OCCN2CCC(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5085064
10639,COc1ccc(OCCN2CCCCC2)cc1S(=O)(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.36026654
10640,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(Oc2ccc3c(c2)CCC(=O)NC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.39626223
10641,COc1ccc(OCCNC(=O)CCc2ccc(F)cc2)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.015905185
10642,COc1ccc(OCCNC(=O)Cc2cccs2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.036936425
10643,COc1ccc(OCCOS(C)(=O)=O)cc1C1CCC(CCc2ccc3c(c2)NC(=O)CC3)CC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.29684657
10644,COc1ccc(OCCS(C)(=O)=O)cc1CN1CCC(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.42964822
10645,COc1ccc(OCCS(C)(=O)=O)cc1NCC1Cc2ccccc2CC1C,[*]CCOc1ccc(O[*])c([*])c1,0.21115464
10646,COc1ccc(OCCS(N)(=O)=O)cc1N1CCCC(COc2ccc3c(c2)CCC(=O)N3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.22428025
10647,COc1ccc(OCCSC)cc1CCOc1ccccc1C(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.15414171
10648,COc1cccc(-c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75023955
10649,COc1cccc(CN2CCN(CCCNC(=O)c3cccs3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3220561
10650,COc1cccc(NCc2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54875976
10651,COc1ccccc1-c1cc(C(=O)NCCN2CCN(C(N)=O)CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.19786127
10652,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(N=O)CC2)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.28009734
10653,COc1ccccc1N1CCN(CCN2CCC(c3ncc(-c4ccc(Br)cc4)o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7608276
10654,COc1ccccc1N1CCN(CCN2CCC(n3cc(C(F)(F)F)nc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7754237
10655,Cc1cc(OCCN2CCC(c3cccc(C(=O)O)c3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5432513
10656,Cc1cc(OCCN2CCCC(CCc3ccc4c(c3)CCCC(=O)N4)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.46059734
10657,Cc1cc(OCCN2CCCC(Cc3ccc(F)cc3)C2)ccc1OSO,[*]CCOc1ccc(O[*])c([*])c1,0.37382486
10658,Cc1cc(OCCN2CCN(C)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.31359836
10659,Cc1cc(OCCNS(C)(=O)=O)ccc1OCCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.13517138
10660,Cc1cc2c(cc1Cc1c[nH]c3ccccc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6413007
10661,Cc1ccccc1N1CCN(CCN2CCC(c3cn(C)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6317884
10662,ClCCCN1CCN(Cc2cccc(-c3ccc4c(c3)-c3ccccc3C4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7310147
10663,FC(F)(F)CCCN1CCN(Cc2cccc(Nc3ccc4ccccc4n3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4590836
10664,Fc1cccc(CN2CCN(CCCCc3cccc4ccccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64761597
10665,O=C(NCCN1CCN(F)CC1)c1ccc(F)c(-c2cccc(Cl)c2Cl)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35739893
10666,O=C(c1cc(O)ccc1F)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72645336
10667,O=C1CCc2ccc(OCC3CCN(CCN4CCN(c5ccccc5Cl)CC4)CC3)cc2N1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8281079
10668,Oc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(Cc4ccccc4Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61184514
10669,Oc1ccc2cccc(OCc3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)c2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.710086
10670,Oc1cccc2c1CN1CCc3cc(NCCc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58485866
10671,C#CCN(Cc1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1)C1CCc2ccc(O)cc2C1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70797443
10672,CC(C)c1ccccc1N1CCN(CCN2CCC(Sc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71852475
10673,CC1CCN(CCN2CCN(c3ccccc3Oc3cccc4nc(O)ccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.705222
10674,CC=S(=O)(O)Oc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52867085
10675,CCCOc1ccc(OC)c(CN2CCC(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.48829857
10676,CCCOc1ccc(ON2CCC(c3ccccc3C3CCNCC3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4894117
10677,CCCOc1ccc(ON=S(C)(=O)O)c(NC(=O)Cc2ccc3c(c2)CC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.057609245
10678,CCCOc1ccc(ONS(=O)(=O)c2cccc(Cl)c2)c(N2CCCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21388228
10679,CCCOc1ccc(OOC)c(CN2CCN(C(F)c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.44715482
10680,CCCSc1ccccc1OCc1cc(OCCF)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.15404351
10681,CCCc1ccc(-c2cc(OCCS(N)(=O)=O)ccc2OC)cn1,[*]CCOc1ccc(O[*])c([*])c1,0.06341102
10682,CCOCCCN1CCN(Cc2cccc(-c3ccc4c(c3)NC(=O)CO4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5218789
10683,COC1CCN(CCN2CCN(c3ccccc3C(=O)Oc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72177917
10684,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70697504
10685,COC1CCN(CCN2CCN(c3ccccc3CNc3nccc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6731774
10686,COC1CCN(CCN2CCN(c3ccccc3Cc3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82590884
10687,COCCCN1CCN(Cc2cccc(CNC(=O)c3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46598032
10688,COCCOc1ccc(OC)c(-c2ccccc2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.111031
10689,COCCOc1ccc(OC)c(CCOc2ccccc2N2CCCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2785636
10690,COCCOc1ccc(OCN2CCCc3ccc(F)cc32)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37162426
10691,CON1CCN(CCNC(=O)c2ccc(C(C)=O)c(-c3ccccc3Cl)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.37498704
10692,CON1CCN(CCNC(=O)c2ccc(C)c(-c3cccc(C#N)c3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31045702
10693,COc1cc2c(cc1-c1ccccc1C)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6809325
10694,COc1cc2c(cc1Cc1c[nH]c3ccccc13)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7382932
10695,COc1cc2c(cc1Cc1cccc([N+](C)=O)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6592975
10696,COc1cc2c(cc1Cl)CCN1Cc3c(C#Cc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71623605
10697,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(CCNC(=O)N(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4589354
10698,COc1cc2c(cc1O)C1Cc3cccc(C(=O)NCc4ccc(CO)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5502755
10699,COc1cc2c(cc1O)C1Cc3cccc(C(=O)Nc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39422238
10700,COc1ccc(C(=O)NCCN2CCN(c3ccccc3F)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.54905623
10701,COc1ccc(OCCC(=O)N(C)C)cc1N1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.22174346
10702,COc1ccc(OCCC(F)(F)F)cc1N1CCN(c2ccccc2C(F)(F)F)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3485561
10703,COc1ccc(OCCC=Cc2cccs2)cc1S(=O)(=O)Nc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.08100664
10704,COc1ccc(OCCCCOC(C)=O)cc1CNCC1CCc2ccc(S(C)(=O)=O)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.20015432
10705,COc1ccc(OCCCCSc2ccc(F)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08497967
10706,COc1ccc(OCCN(C)C)cc1N1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.43155092
10707,COc1ccc(OCCN2CCN(C)CC2)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3709127
10708,COc1ccc(OCCNC(=O)c2ccccc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.024354424
10709,COc1ccc(OCCNCCc2ccc3c(c2)NC(=O)CC3)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.221617
10710,COc1ccc(OCCS(C)(=O)=O)cc1NCCc1ccccc1F,[*]CCOc1ccc(O[*])c([*])c1,0.092921875
10711,COc1cccc(C(=O)Nc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.45722663
10712,COc1cccc(CN2CCN(CCCC(=O)c3cccc(OC)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5700776
10713,COc1ccccc1-c1ccc(C(=O)NCCN2CCN([O-])CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.306162
10714,COc1ccccc1N1CCN(CCN2CCC(NC(=O)Nc3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.49254817
10715,Cc1cc(OCCC(=O)COc2ccc(C(F)(F)F)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.037502795
10716,Cc1cc(OCCCCCCc2ccc3c(c2)NC(=O)CC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.18488955
10717,Cc1cc(OCCCN2CCC(Cc3ccccc3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6049569
10718,Cc1cc(OCCF)ccc1ON1Cc2ccccc2CC(C)C1,[*]CCOc1ccc(O[*])c([*])c1,0.40209416
10719,Cc1cc(OCCN2CCCC(OCc3ccccc3)C2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.47173634
10720,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCCC(Cc2ccc3c(c2)NC(=O)CC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2818512
10721,Cc1cc(OCCNCC2CCNC2=O)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.107152425
10722,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(Cc2ccc3c(c2)CCC(=O)N3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23243171
10723,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCCC(CCc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.19156745
10724,Cc1ccccc1N1CCN(CCN2CCC(S(C)(=O)=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65963405
10725,N#Cc1cccc(-c2cc3c(cc2F)CCN2Cc4c(O)cccc4CC32)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70756626
10726,N#Cc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85719615
10727,Nc1cc(CCCCN2CCN(Cc3cccc(F)c3)CC2)cc(-c2ccccc2)n1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.660768
10728,O=C(NCc1cccc(CN2CCN(CCCO)CC2)c1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5193254
10729,O=C(Nc1cccc([N+](=O)[O-])c1)Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.23513299
10730,Oc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccccc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73919725
10731,CC(C)(C)c1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.683896
10732,CC=S(=O)(O)Oc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5740717
10733,CCC=S(O)(O)=Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67579484
10734,CCCCN1CCN(Cc2cccc(C3Oc4ccccc4NC3(C)C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5497781
10735,CCCOc1ccc(OC)c(C(=O)NC2CCN(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.47746968
10736,CCCOc1ccc(OCNS(C)(=O)=O)c(C(F)Cc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.071315356
10737,CCCOc1ccc(ON2CCN(Cc3ccccc3OC)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.63076514
10738,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(Oc3ccc(CC4CCCCC4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17103454
10739,CCCOc1ccc(ONS(C)(=O)=O)c(NC(=O)COc2ccc(SC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0067487443
10740,CCCOc1ccc(ONS(C)(=O)=O)c(NCc2ccc3c(c2)CCC(=O)N3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13709818
10741,CCCOc1ccc(OS(N)(=O)=O)c(NC(C)COc2ccc3c(c2)CCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18566012
10742,CCCOc1ccc(OSC)c(N2CCN(c3cccc(Cl)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33717346
10743,CCN(CCCN1CCN(Cc2cccc(OC)c2)CC1)S(=O)(=O)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4586809
10744,CNC(=O)CCOc1ccc(OC)c(NCCc2cccc(OC)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.017561492
10745,COC(=O)C1CCN(CCN2CCN(c3ccccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87867075
10746,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccc(Br)cc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75595206
10747,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(CO)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75645524
10748,COCCCN1CCN(Cc2cccc(CNS(=O)(=O)c3ccc(OC(F)(F)F)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.42573547
10749,COOc1ccc(OCCNCCc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.25207415
10750,COc1cc2c(cc1C=NOc1cccc(Cl)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6325723
10751,COc1cc2c(cc1O)C1Cc3cccc(CC(=O)NCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3884191
10752,COc1cc2c(cc1O)C1Cc3cccc(OC(C)(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.81551945
10753,COc1cc2c(cc1O)C1Cc3cccc(Oc4ccccc4CNC(C)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4848887
10754,COc1cc2c(cc1O)C1Cc3cccc([N+]([O-])c4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6510248
10755,COc1cc2c(cc1O)CCN1Cc3c(CNC(=O)c4ccc5ccccc5c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50153786
10756,COc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c(CO)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6817062
10757,COc1ccc(C#Cc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8608639
10758,COc1ccc(CCc2cc(OCCS(C)(=O)=O)ccc2OC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07456361
10759,COc1ccc(OCCC(O)CCc2ccc3c(c2)OC(=O)CC3)cc1CNS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.20183495
10760,COc1ccc(OCCCN)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09518049
10761,COc1ccc(OCCCS(N)(=O)=O)cc1N1CCC(Oc2ccc(CC3CCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22060002
10762,COc1ccc(OCCN)cc1CN1CCN(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7753236
10763,COc1ccc(OCCN2CCC(Cc3ccc(F)cc3)CC2)cc1C(=O)NSC,[*]CCOc1ccc(O[*])c([*])c1,0.411622
10764,COc1ccc(OCCN2CCC(Cc3ccc4ccccc4c3)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.6042066
10765,COc1ccc(OCCN2CCC(c3ccccc3)CC2)cc1OS(=O)(=O)C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.54848725
10766,COc1ccc(OCCNCc2ccco2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.11531404
10767,COc1ccc(OCCS(=O)(=O)Cc2ccc(C(C)C)cc2)cc1SC(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.024076255
10768,COc1ccc(OCCS(N)(=O)=O)cc1NS(=O)(=O)c1cccs1,[*]CCOc1ccc(O[*])c([*])c1,0.07116007
10769,COc1ccc2ncc(Oc3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)cc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7470512
10770,COc1cccc(CN2CCN(CCCCc3ccc(-c4ccccc4)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6533059
10771,COc1cccc(CN2CCN(CCCCn3ccc4ccccc4c3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5492487
10772,COc1cccc2c1CN1CCc3cc(-c4ccc(CN(C)C)cc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72069335
10773,COc1ccccc1C1CCN(Oc2ccc(OCCN)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3885909
10774,Cc1cc(OCCC=Cc2ccccc2)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.16799931
10775,Cc1cc(OCCN2CCC(C(=O)c3ccc(Cl)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5049022
10776,Cc1cc(OCCN2CCC(C(=O)c3ccccc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5195251
10777,Cc1cc(OCCN2CCC(c3ccccc3S(C)(=O)=O)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6510273
10778,Cc1cc(OCCN2CCC3(CC2)CC(=O)Nc2ccccc23)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.43385696
10779,Cc1cc(OCCN=S(C)(=O)O)ccc1OCCCc1ccccc1OC1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.1914457
10780,Cc1cc(OCCNCCC(=O)c2cc3ccccc3s2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09873318
10781,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(=O)C(c2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.22365002
10782,Cc1ccccc1N1CCN(CCN2CCC(c3nccs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7334137
10783,FC(F)(F)OCCCN1CCN(Cc2cccc(-c3cccs3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.664929
10784,O=C(CCCCN1CCN(Cc2cccc(Cl)c2)CC1)N1CCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6253735
10785,O=S(=O)(NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)c1cccc(F)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73102516
10786,O=S(=O)(NC1CCN(CCN2CCN(c3ccccc3O)CC2)CC1)c1ccc(F)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6335758
10787,OS(=Cc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1ccc(F)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69590855
10788,Oc1cc2c(cc1-c1ccc3occc3c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6845779
10789,Oc1ccccc1N1CCN(CCN2CCC(n3ccc(-c4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75169164
10790,CC1(C)Cc2ccccc2OC1CCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6114289
10791,CC1Cc2ccccc2N1C(=O)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7179711
10792,CC=Cc1cccc2c1CN1CCc3cc(OCc4ccccc4)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7678407
10793,CCCN1CCC(c2cc(OCCOC)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6699382
10794,CCCNCc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6457311
10795,CCCOc1ccc(OC2CCN(c3ccc(OCC)cc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32652968
10796,CCCOc1ccc(OCN2CCN(c3ccccc3OC)CC2)c(-c2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.755908
10797,CCCOc1ccc(ONC)c(N2CCC(c3ccccc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2900333
10798,CCCOc1ccc(ONCCCc2ccccc2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11924093
10799,CCCOc1ccc(OOCC)c(C2CCN(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5859837
10800,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(Cc3ccc4c(c3)NC(=O)CCC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37899414
10801,CCNC(=O)Oc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4894342
10802,CCNC1CCc2ccc(OC)c(-c3cc(OCCF)ccc3OC)c2C1,[*]CCOc1ccc(O[*])c([*])c1,0.63320285
10803,CCOc1cc2c(cc1O)CCN1Cc3c(Cc4cccc(C#N)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.573658
10804,CCc1ccc2c(c1)C(CNc1cc(OCCS(C)(=O)=O)ccc1OC)CCC2O,[*]CCOc1ccc(O[*])c([*])c1,0.13924734
10805,CCc1cccc2c1CN1CCc3cc(O)c(CO)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6407701
10806,COCCCN1CCN(Cc2cccc(N3C(=O)c4ccccc4S3(=O)=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5441284
10807,COCCOc1ccc(ON2CCC(COc3ccc4c(c3)NC(=O)CC4)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28528884
10808,COc1cc(C(=O)NCCN2CCN(c3ccccc3Cl)CC2)ccc1S(C)(=O)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.7916722
10809,COc1cc2c(cc1-c1ccc([N+](=O)[O-])cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5396446
10810,COc1cc2c(cc1O)C1Cc3cccc(-c4c(C)cccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63595927
10811,COc1cc2c(cc1O)C1Cc3cccc(CCc4cccs4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.81122375
10812,COc1cc2c(cc1O)CCN1Cc3c(cccc3C3CC3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7982507
10813,COc1ccc(OCCCC(=O)c2ccc(F)cc2)cc1CC(=O)N1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.10973482
10814,COc1ccc(OCCCC2CCc3ccc(F)cc3C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.37676165
10815,COc1ccc(OCCCSCCc2ccc(F)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07934171
10816,COc1ccc(OCCN2CCC(F)CC2)cc1NS(=O)(=O)c1cccc(Cl)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5973834
10817,COc1ccc(OCCN2CCC(c3ccccc3C)C2=O)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.22704752
10818,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCCC1OCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.22432712
10819,COc1ccc(OCCS(C)(=O)=O)cc1CCOc1ccc(C2CCCCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.14498837
10820,COc1ccc(OCCS(C)(=O)=O)cc1CNCCC1C2=CC=C1c1ccc(F)cc1NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.14844842
10821,COc1cccc(C(=O)NCC2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85869896
10822,COc1cccc(CCCN2CCN(Cc3cccc(Cc4cccs4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62184054
10823,COc1cccc(CN2CCN(CCCCNC(=O)c3cc4ccccc4cn3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6191285
10824,COc1cccc(CN2CCN(CCCN3C(=O)S(=O)(=O)c4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6333121
10825,COc1cccc(COc2cc3c(cc2OC)CCN2Cc4c(CO)cccc4CC32)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6574112
10826,COc1ccccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1Br,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.38608328
10827,COc1ccccc1N1CCN(CCN2CCC(Cc3ccc4c(c3)NC(=O)CO4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72818035
10828,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cnc4ccccn34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7419083
10829,CSOc1ccc(OCCNC(=O)CCc2ccc3c(c2)OC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.05392761
10830,Cc1cc(OCCCC(=O)c2ccc(F)cc2)ccc1ONC(=O)C1CCNC1,[*]CCOc1ccc(O[*])c([*])c1,0.12716924
10831,Cc1cc(OCCCNC(=O)C2CNCCc3ccccc3C2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.19343643
10832,Cc1cc(OCCCn2cc(F)cn2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10057377
10833,Cc1cc(OCCN2CCC(Cc3ccccc3)CC2)ccc1OS(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5198879
10834,Cc1cc(OCCN2CCC(c3ccccc3C)CC2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5914704
10835,Cc1cc(OCCN2CCCC(Oc3ccc4c(c3)NC(=O)CCS4)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.44803435
10836,Cc1cc2ccccc2n1C(=O)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5057842
10837,Cc1ccc(=O)n(CCCCN2CCN(Cc3cccc(Cl)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60427976
10838,ClC1CCN(CCN2CCN(c3ccccc3-c3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76644665
10839,ClCCCN1CCN(Cc2cccc(-c3csc(-c4ccccc4)n3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66248363
10840,Fc1ccc(-c2ccccn2)cc1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.724515
10841,Fc1ccc(-c2coc(-c3cccc(CN4CCN(CCCCl)CC4)c3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6054686
10842,NC1CCN(CCN2CCN(c3ccccc3-n3c(O)nc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7456894
10843,O=C(NCc1ccccc1N1CCN(CCN2CCC(CO)CC2)CC1)c1cc2ccccc2o1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.705351
10844,O=C1COc2ccccc2N1c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6701885
10845,O=S(c1ccccc1)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5754144
10846,OCc1cc2c(cc1O)C1Cc3cccc(COc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7362573
10847,c1ccc(-c2ccccc2N2CCN(CCN3CCC(Nc4ncccn4)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87099046
10848,C=CC(c1cccc(F)c1)N1CCN(c2cc(OCCC)ccc2OOC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.32699203
10849,CC(=O)NCc1ccc(-c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46113855
10850,CC(=O)c1ccc(C(=O)C2CCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.51627964
10851,CC(=O)c1ccc(F)cc1N1CCN(CCOc2ccc(ONS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.62251425
10852,CC(=O)c1ccc(SCCCCOc2ccc(ON3CCNC3=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.13703823
10853,CC(C)(C)c1ccc(CCCCN2CCN(Cc3cccc(Cl)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7308081
10854,CC(C)Oc1ccccc1N1CCN(CCN2CCC(Cc3ccc4nc(O)ccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67334193
10855,CC(C)c1ccc(S(=O)(=O)NOc2ccc(OCCF)cc2CC2CCNCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.10535013
10856,CC1CCN(CCN2CCN(c3ccccc3-c3cc(O)nc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68895423
10857,CCCCN1CCN(Cc2cccc(Cc3ccccc3OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5639136
10858,CCCOc1ccc(OBr)c(N2CCCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29292068
10859,CCCOc1ccc(ON)c(-c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0989986
10860,CCCOc1ccc(ONC(C)=O)c(N2CCC(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25072676
10861,CCCOc1ccc(OS(C)(=O)=O)c(CCOc2ccc(CCC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10171447
10862,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)COc2ccc3c(c2)CC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.080640964
10863,CCCOc1ccc(OS(C)(=O)=O)c(NCCOc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14872207
10864,CCCOc1ccc(OS(N)(=O)=O)c(SCCCc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2505714
10865,CCCOc1ccc(OSC)c(N2CCN(c3ccc(OC)c(C(C)C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26753956
10866,CCOc1cccc(CN2CCN(CCCCOc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58967257
10867,CCOc1cccc2c1CN1CCc3cc(Cl)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67469126
10868,CCc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.80152875
10869,CNOc1ccc(OCCCN2CCN(Cc3ccccc3OC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.45286623
10870,COC(=O)Nc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3497029
10871,COC1CCN(CCN2CCN(c3ccccc3S(=O)(=O)c3cccc(Cl)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69098604
10872,COCCOc1ccc(OC)c(OC(=O)Cc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14976366
10873,CON1CCN(CCNC(=O)c2ccc([O-])c(-c3cc(C)ccc3C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.17773461
10874,COc1cc(C(=O)NCCN2CCN(c3cccc(C)c3)CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.629836
10875,COc1cc2c(cc1Nc1cccc3ccccc13)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52348083
10876,COc1cc2c(cc1O)C1Cc3cccc(-c4cccc(OCC(F)(F)F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5204348
10877,COc1cc2c(cc1O)C1Cc3cccc(Cc4cccc(NC=O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4920198
10878,COc1cc2c(cc1OCc1ccccc1Cl)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7188862
10879,COc1ccc(C(=O)NCCN2CCN(O)CC2)cc1-c1ccccc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32356864
10880,COc1ccc(CNC(=O)c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66207236
10881,COc1ccc(CNCCOc2ccc(ON3CCN(C)CC3)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.3205713
10882,COc1ccc(OCCCN2CCC(Oc3ccc4c(c3)NC(=O)CCC4)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.7268943
10883,COc1ccc(OCCCc2ccc(OCC(=O)O)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.05223365
10884,COc1ccc(OCCN(C)C)cc1NC(=O)c1cc(C=O)c2ccccc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.015094924
10885,COc1ccc(OCCN2CCC(c3ccc(Cl)cc3)CC2)cc1OC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.61884075
10886,COc1ccc(OCCN=S(C)(=O)O)cc1C(C)COc1ccc2c(c1)CCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.14374454
10887,COc1ccc(OCCNS(C)(=O)=O)cc1NC(=O)CCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.06632914
10888,COc1cccc(CN2CCN(CCCCCN3C(=O)Cc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.80180734
10889,COc1cccc(CN2CCN(CCCCOc3cccc4ccoc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66717166
10890,COc1cccc(CN2CCN(CCCn3cc(C)ccc3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5291799
10891,COc1cccc(N2CCN(COc3ccc(OCCF)cc3C)CC2)c1C,[*]CCOc1ccc(O[*])c([*])c1,0.55549866
10892,CSc1ccccc1N1CCN(CCN2CCC(C(=O)Nc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.54987377
10893,Cc1cc(OCCCN(C)S(C)(=O)=O)ccc1ON1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25985974
10894,Cc1cc(OCCF)ccc1OCS(=O)(=O)c1ccc(C2CCNC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.14021358
10895,Cc1cc(OCCN2CCC(NC(=O)c3cccc(C(F)(F)F)c3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.47145152
10896,Cc1cc(OCCN2CCCC2CNc2ccccc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.27410567
10897,Cc1cc(OCCN2CCN(Cc3ccc(F)cc3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.50039196
10898,Clc1ccc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7932127
10899,Nc1cccc(Cc2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.728789
10900,Oc1cc2c(cc1OC1CCCC1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6856742
10901,Oc1cc2c(cc1OC=Cc1ccccc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65993816
10902,Oc1ccc2c(c1)C(O)C(c1ccccc1N1CCN(CCN3CCC(Cl)CC3)CC1)CC2,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73232216
10903,Oc1cccc2c1CN1CCc3cc(N=COc4cccc(Cl)c4Cl)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56045175
10904,Oc1nc2ccc(Cl)cc2n1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6907194
10905,CCCCN1CCN(Cc2cccc(C(=O)c3c(C)cccc3C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3866668
10906,CCCCNCCOc1ccc(OC)c(NS(=O)(=O)c2ccc(OC(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.111712575
10907,CCCCOc1ccc(OOC)c(N2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2566137
10908,CCCOc1ccc(OCN2C=CN(C(C)=O)CC2)c(-c2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16451554
10909,CCCOc1ccc(OCNS(C)(=O)=O)c(NC(=O)CCc2ccc3c(c2)CCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.050014954
10910,CCCOc1ccc(OCc2ccccc2OCC)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7431117
10911,CCCOc1ccc(ON2CCC(c3cccc(OCC)c3)CC2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32213846
10912,CCCOc1ccc(ON2CCN(CC(=O)N3Cc4ccccc4CC3C)C2=O)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25118273
10913,CCCOc1ccc(ONC)c(N2CCC(c3cccc(C(F)(F)F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.334687
10914,CCCOc1ccc(OOC)c(N2CCCN(c3ccc(OCC(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25289083
10915,CCCOc1ccc(OS(C)(=O)=O)c(NCCC2CCc3ccc(C(C)=O)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2554495
10916,CCCOc1ccc(OS(N)(=O)=O)c(C(O)COc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25013298
10917,CCCOc1ccc(OSC)c(N2CCOC(CCc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30664656
10918,CCCc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.86484164
10919,CCOc1cc2c(cc1OC)C1Cc3cccc(OCc4cccc(OC)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65452075
10920,CN(C)C(=O)c1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5389492
10921,CN(Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)OCc1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6248121
10922,COCCOc1ccc(OC)c(N2CCN(c3cccc(C(C)=O)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19657807
10923,COCCOc1ccc(ON2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13561249
10924,COOc1ccc(OCCN2CCC(S(=O)(=O)Cc3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5798816
10925,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1cccc(OC)c1[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.25318274
10926,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(S(C)(=O)=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56012994
10927,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cc(C)cs3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66535306
10928,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cccc(C(C)C)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6252814
10929,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccccc4OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5883955
10930,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)NCc4cccc(C)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4100574
10931,COc1cc2c(cc1OC)C1Cc3cccc(COc4ccccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7726509
10932,COc1cc2c(cc1OCc1ccc(CO)cc1)C1Cc3cccc(OC(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60586613
10933,COc1cc2c(cc1OCc1ccc3ccccc3c1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64174294
10934,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(Nc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45257315
10935,COc1ccc(C2CCN(CCOc3ccc(ON)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.66437536
10936,COc1ccc(N2CCN(CCCOc3ccc(OC)c(F)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.82308644
10937,COc1ccc(OCCC(N)=O)cc1N1CCC(c2ccccc2F)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.16635014
10938,COc1ccc(OCCCCN2CCCCC2)cc1OC(C)c1cccc(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.462026
10939,COc1ccc(OCCCc2ccc(F)cc2)cc1NC(=O)c1ccc(C(C)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.04448596
10940,COc1ccc(OCCN2CCN(c3ccccc3C(C)C)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.7676098
10941,COc1ccc(OCCNC(=O)COc2cccc(C)c2)cc1NC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.008093595
10942,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1N1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.23426712
10943,COc1ccc(OCCNS(=O)(=O)c2cccc(CC(F)(F)F)c2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.102632254
10944,COc1ccc(OCCSC)cc1CCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.27981517
10945,COc1ccc(OCCSC)cc1Cc1ccc(OCC(C)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.026440877
10946,COc1ccc(OCC[SH](C)(=O)O)cc1CCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.2413848
10947,COc1cccc(CN2CCN(CCCCNC(=O)c3csc4ccccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.50817066
10948,COc1cccc(CN2CCN(CCCCNc3ccccn3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64491767
10949,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(O)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32811245
10950,COc1ccccc1ON=Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6986319
10951,CS(=O)(=O)c1cc(OCCN2CCCC(Cc3ccc(F)cc3)C2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.4531025
10952,CSc1ccc(CC2CCCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.38403362
10953,Cc1cc(OCCC(=O)CCc2ccc3c(c2)NC(=O)CC3)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.10431896
10954,Cc1cc(OCCN=S(C)(=O)O)ccc1ONCc1ccncc1,[*]CCOc1ccc(O[*])c([*])c1,0.04381391
10955,Cc1cc(OCCNC(=O)c2ccc3c(c2)CCCC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.06485281
10956,Cc1cc(OCCNCCc2ccc(F)cc2)ccc1OCS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16739695
10957,Cc1cc(OCCNCc2ccco2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.065134786
10958,Cc1cc(OCCNS(C)(=O)=O)ccc1OCCOc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.16665806
10959,Cc1ccccc1N1CCN(CCN2CCC(CCNC(=O)OC(C)(C)C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6546928
10960,Fc1cnc(-c2ccccc2N2CCN(CCN3CCC(F)CC3)CC2)nc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78226584
10961,O=C(Nc1cccc(CN2CCN(CCCOC(F)(F)F)CC2)c1)C1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.32582697
10962,O=C(OCc1cccc([N+](=O)[O-])c1)c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40033126
10963,O=C1c2ccccc2C(=O)N1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6667856
10964,C=S(O)c1cccc(CN2CCN(CCCc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6627302
10965,CC(=O)NCCOc1ccc(ONC(=O)COc2ccccc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.01875129
10966,CC(=O)Oc1ccc(OCCNC(=O)COc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.048062537
10967,CC1(C)CCc2ccccc2N1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6721551
10968,CC1CCN(CCN2CCN(c3ccccc3-c3ccon3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7700622
10969,CCC1CCCc2ccc(CC3CCN(c4cc(OCCNS(C)(=O)=O)ccc4OC)CC3)cc2N1,[*]CCOc1ccc(O[*])c([*])c1,0.34550866
10970,CCCOc1ccc(OC(C)=O)c(N2CCN(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1482469
10971,CCCOc1ccc(OCN2CCN(c3ccccc3OC)CC2)c([N+](=O)[O-])c1,[*]CCOc1ccc(O[*])c([*])c1,0.55483043
10972,CCCOc1ccc(ON=S(C)(=O)O)c(Nc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.063330755
10973,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(C)(c3ccc(Cl)cc3)CC2CF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24669227
10974,CCCOc1ccc(OOC)c(-c2ccccc2OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14420776
10975,CCCOc1ccc(OS(C)(=O)=O)c(C=CCc2ccccc2OC2CCNCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26832387
10976,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3cc(Cc4ccccc4)on3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23626953
10977,CCN(C(=O)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)c1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38940558
10978,CCOc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccc(F)cc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77690125
10979,CCc1ccc(C=COc2ccc(OCCN=S(C)(=O)O)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.043802388
10980,CN=S(=O)(O)CCOc1ccc(OC)c(NCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.052008443
10981,CNc1ccccc1-c1ccc(C(=O)NCCN2CCN(OC)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3059944
10982,COC(=O)CCOc1ccc(OC)c(CCOc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.029437806
10983,COC1CCN(CCN2CCN(c3ccccc3C(=O)NCc3ccc(C#N)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69212633
10984,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccc(O)c(O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7160238
10985,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc(-c4cn5ccccc5n4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.89876837
10986,COCCCN1CCN(Cc2cccc(C(=O)N3CCCC3c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51951706
10987,COCCCN1CCN(Cc2cccc(COc3ccc4c(c3)NC(=O)CC4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6616902
10988,COCCOc1ccc(OCNC(=O)c2ccco2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.013617431
10989,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccc(C)s1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.19571392
10990,COc1cc2c(cc1N(C)C)CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7285154
10991,COc1cc2c(cc1O)C1Cc3cccc([N+](=O)c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68658644
10992,COc1cc2c(cc1O)CCN1Cc3c(CNC(C)=O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49751952
10993,COc1cc2c(cc1O)CCN1Cc3c(COc4ccc(C#N)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79708433
10994,COc1cc2c(cc1OC)C1Cc3cccc(CNC(=O)c4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44217113
10995,COc1cc2c(cc1OC)C1Cc3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.19632854
10996,COc1cc2c(cc1OCc1ccccc1Cl)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6892462
10997,COc1ccc(COc2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74478376
10998,COc1ccc(OCCCN2CCN(c3ccccc3OC)CC2)cc1-c1cnn(CCF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.86316705
10999,COc1ccc(OCCS(C)(=O)=O)cc1C1CN(CCc2ccc(F)cc2)CCC1F,[*]CCOc1ccc(O[*])c([*])c1,0.6040712
11000,COc1cccc(CN2CCN(CCCCNC(=O)c3ccc4cc(OC)ccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5855919
11001,COc1cccc(CN2CCN(CCCc3cccc4nc(S)oc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58010405
11002,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7752429
11003,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(Br)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8734876
11004,COc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3ccc(C)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72397107
11005,COc1ccccc1N1CCN(CCN2CCC(c3nccn3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8263422
11006,CSOc1ccc(OCCNCC2COc3ccccc3C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.24724016
11007,CSc1ccc(CC2CCON(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.15112597
11008,Cc1cc(OCCF)ccc1OC(=O)NCc1ccc(S(C)(=O)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.011193332
11009,Cc1cc(OCCNC(=O)COc2ccc3c(c2)NC(=O)C3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.048336867
11010,Cc1cc(OCCNCc2ccccc2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.28250176
11011,Cc1cc(OCCNS(C)(=O)=O)ccc1ONC(=O)COc1ccc(CCF)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.021387264
11012,Cc1ccc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6816178
11013,Cc1ccc(CCCCCOc2ccc(ON=S(C)(=O)O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06025596
11014,Cc1ccc(OC2CCN(COc3ccc(OCCNS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.28304166
11015,Cc1ccccc1N1CCN(CCN2CCC(COc3ccc4c(c3)NC(=O)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71796083
11016,O=S1(=O)Cc2ccccc2C1c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7732213
11017,O=S1(=O)Cc2ccccc2N1CCCN1CCN(Cc2cccc(-c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7253502
11018,OCc1ccc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7884879
11019,Oc1cc2c(cc1Cc1ccoc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7927366
11020,Oc1ccc2c(OCC3CCN(CCN4CCN(c5ccccc5C(F)(F)F)CC4)CC3)cccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7498963
11021,Oc1cccc2c1CN1CCc3cc(-c4ccccc4OC4CCCCC4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54107267
11022,CC1CCN(CCN2CCN(c3ccccc3Nc3ccc(-c4ccccc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.46258503
11023,CCCOc1ccc(ON2CCN(c3ccc(OCC(F)(F)F)cc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26409045
11024,CCCOc1ccc(ONS(C)(=O)=O)c(NC(=O)C2CCC2Cc2ccc(C3CCN(CC)CC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22121243
11025,CCCOc1ccc(OOC)c(C(=O)c2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06844506
11026,CCCc1ccc(C2CCN(c3cc(OCCS(C)(=O)=O)ccc3OC)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.31772614
11027,CCOc1ccccc1CCCOc1ccc(ONS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08389001
11028,CCS(=O)(O)=Nc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65385306
11029,CN(c1ccccc1)S(=O)(=O)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6748695
11030,CNC(=O)CCOc1ccc(ON2CCN(Cc3ccccc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22153346
11031,COC(=O)c1ccc(COCc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5131392
11032,COC1CCN(CCN2CCN(c3ccccc3-c3cnc(-c4ccc(O)cc4)o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65717524
11033,COC1CCN(CCN2CCN(c3ccccc3NS(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.53898877
11034,COCCCN1CCN(Cc2cccc(CF)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5949868
11035,COOc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCS4)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5346081
11036,COc1cc(Br)ccc1C(=O)NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72008955
11037,COc1cc([N+](=O)[O-])ccc1-c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5397142
11038,COc1cc2c(cc1N(C)Cc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7167086
11039,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(CO)cn4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6072507
11040,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(O)nc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60700357
11041,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(S(C)(=O)=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5969264
11042,COc1cc2c(cc1O)C1Cc3cccc(C(=O)NCc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54010993
11043,COc1cc2c(cc1O)C1Cc3cccc(C(F)(F)F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8026826
11044,COc1cc2c(cc1O)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76736665
11045,COc1cc2c(cc1O)C1Cc3cccc(OCCc4ccc(F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7862574
11046,COc1ccc(C(=O)NCCN2CCN(C=O)CC2)cc1-c1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3744815
11047,COc1ccc(C(=O)NCCN2CCN(SC)CC2)cc1-c1cccc(C)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.23885466
11048,COc1ccc(C(=O)NCCN2CCN(c3ccc(Br)cc3)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.6381134
11049,COc1ccc(COc2cc3c(cc2OC)CCN2Cc4c(cccc4OC)CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7049425
11050,COc1ccc(OCCCCOc2ccccc2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.16609137
11051,COc1ccc(OCCCN2CCC(c3ccccc3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.7944098
11052,COc1ccc(OCCN2CCC(=O)C(c3ccc(Cl)cc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.48411027
11053,COc1ccc(OCCN2CCC(Cc3ccc(F)cc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.6553522
11054,COc1ccc(OCCNC(C)=O)cc1CN1CCC(Cc2ccc(SC)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.30492827
11055,COc1ccc(OCCSC)cc1CCC(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.056194868
11056,COc1ccc2c(c1)CC(CCCN1CCN(Cc3cccc(Cl)c3)CC1)C2,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70610595
11057,COc1ccc2ccc(-c3cccc(CN4CCN(CCCCl)CC4)c3)cc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5700702
11058,COc1cccc(CN2CCN(CCCCn3c(=O)oc4ccccc4c3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57482105
11059,COc1cccc(CN2CCN(CCCc3cnc(-c4ccccc4)s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61188185
11060,COc1cccc2c1CN1CCc3cc(-c4ccc(CF)cc4)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6171071
11061,COc1cccc2c1CN1CCc3cc(NOCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59441
11062,COc1ccccc1N1CCC(CCCOc2ccc(OC)c(S(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.26456526
11063,COc1ccccc1N1CCN(CCN2CCC(c3cc(O)n(C)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.86558247
11064,COc1ccccc1N1CCN(CCN2CCC(c3cccc(-c4cccc(C(F)(F)F)c4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6968739
11065,COc1ccccc1N1CCN(CCN2CCC(c3cnc4cccc(O)n34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8127854
11066,COc1ccccc1N1CCN(Oc2ccc(OCCCCOc3ccc(F)cc3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2736426
11067,CSOc1ccc(OCCNCCc2cc3ccccc3s2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.22028789
11068,CSc1cccc(CN2CCN(COc3ccc(OCCF)cc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.49156195
11069,Cc1cc(OCCCCCc2ccc3c(c2)NC(=O)CCC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1768192
11070,Cc1cc(OCCCCOc2ccc(F)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07610799
11071,Cc1cc(OCCF)ccc1OCN1CCN(C=[SH]c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29924196
11072,Cc1cc(OCCN2CCC(Cc3ccc(F)cc3)CC2)ccc1OSO,[*]CCOc1ccc(O[*])c([*])c1,0.50743145
11073,Cc1cc(OCCNC(=O)COc2ccccc2)ccc1ON1CCNC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.07175239
11074,Cc1cc(OCCNCCCc2ccccc2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.27996385
11075,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCc2ccc(CCC(F)(F)F)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.2631308
11076,ClCCCN1CCN(Cc2cccc(-c3cc4ccc3CCc3ccccc3CC4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66642535
11077,ClCCCN1CCN(Cc2cccc(-c3nc(-c4ccccc4)cs3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6694303
11078,Clc1ccc(CCCN2CCN(Cc3cccc(C4CCCCC4)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.74093854
11079,Fc1ccccc1C1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8383744
11080,O=C1Cc2ccccc2C(=O)N1CCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.71977884
11081,O=C1c2ccccc2C(=O)N1CCCCN1CCN(Cc2cccc(O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7422927
11082,OCc1ccc(-c2cccc3c2CN2CCc4cc(Cl)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62968665
11083,CC(=O)c1ccc(OC2CCN(CCCOc3ccc(ON=S(C)(=O)O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.52945936
11084,CC1CCN(CCN2CCN(c3ccccc3N(C)C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78747225
11085,CCCCN1CCN(Cc2cccc(-c3ccco3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.50769186
11086,CCCCc1ccc(OC)cc1Nc1cc(OCCC)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08078621
11087,CCCOc1ccc(OC)c(N2CCCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27684757
11088,CCOCCCN1CCN(Cc2cccc(N3C(=O)c4ccccc4S3(=O)=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5162652
11089,CCOOc1ccc(OCCCN2CCN(c3ccccc3OCC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.86205024
11090,CCOc1cc2c(cc1OC)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6934435
11091,CCOc1cccc2c1CN1CCc3cc(OC)c(OCc4ccc(CO)cc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6419638
11092,CCOc1ccccc1N1CCN(CCN2CCC(Nc3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8141332
11093,CCOc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccc(F)cc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8262596
11094,CCOc1ccccc1N1CCN(Cc2cc(OCCCF)ccc2OOC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.84681183
11095,CCc1cc(OCCF)ccc1ONC1CCc2cc(OC)c(OC)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.4326703
11096,CNCCOc1ccc(OC)c(NCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.111944035
11097,COC(=O)C1Cc2ccccc2N1C(=O)Nc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.47082222
11098,COC(=O)c1cc2c(cc1C)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3955282
11099,COC1CCN(CCN2CCN(c3ccccc3-c3cc(Cl)c4nc(O)ccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6422123
11100,COCCOc1ccc(OC)c(CNC(=O)c2ccc(CCF)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.023533422
11101,COc1cc2c(cc1-c1c(CO)cccc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7559332
11102,COc1cc2c(cc1-c1ccc(Oc3ccccc3)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7052375
11103,COc1cc2c(cc1Cl)CCN1Cc3c(cccc3-c3ccc(C#N)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6296687
11104,COc1cc2c(cc1O)C1Cc3cccc(C(=O)NCc4ccc(C)c(Cl)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36701912
11105,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccc(CN(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7218055
11106,COc1cc2c(cc1O)CCN1Cc3c(CCc4cccc(F)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8305669
11107,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccccc4COC(C)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43029007
11108,COc1cc2c(cc1OC)C1Cc3cccc(NC(=O)Nc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.27876857
11109,COc1ccc(NC(=O)c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5627956
11110,COc1ccc(OC)c(-c2ccc(C(=O)NCCN3CCN(OC)CC3)cc2OC)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.21059777
11111,COc1ccc(OCCCNC(C)=O)cc1N1CCC(Cc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27585143
11112,COc1ccc(OCCN2CCN(c3ccccc3OC(C)C)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.81313264
11113,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCC(c2ccc(CF)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.17843126
11114,COc1ccc(OCCNC(=O)c2ccc(C=C(C)O)cn2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.017527327
11115,COc1ccc(OCCNCCCc2ccc(F)cc2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.26135457
11116,COc1ccc(OCCS(N)(=O)=O)cc1CCOc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.10968726
11117,COc1ccc(OCCSC)cc1CNC(=O)Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.017101755
11118,COc1ccc2oc(C(=O)NCCCCN3CCN(Cc4cccc(Cl)c4)CC3)cc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5892948
11119,COc1cccc(CCNCCOc2ccc(ONS(C)(=O)=O)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16824692
11120,COc1cccc(CN2CCN(CCCCN3C(=O)CC(=O)c4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7216456
11121,COc1ccccc1-c1cc(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)ccc1F,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29289034
11122,COc1ccccc1N1CCN(CCN2CCC(Cn3cc(F)cnc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7285418
11123,CSOc1ccc(OCCNS(=O)(=O)Cc2cccc(F)c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.10865373
11124,Cc1cc(OCCC(=O)COc2ccc(F)cc2)ccc1OCN1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22327046
11125,Cc1cc(OCCCCCc2ccc(F)cc2)ccc1ON1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.18871774
11126,Cc1cc(OCCN2CCC(C(=O)c3ccc(F)c(F)c3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4769986
11127,Cc1cc(OCCN2CCC(Oc3ccc(F)cc3)C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.44717732
11128,Cc1cc(OCCNS(C)(=O)=O)ccc1OOC(=O)CCc1ccc2c(c1)CC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.074312955
11129,Cc1cc(OCCOc2ccccc2CCc2ccccc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.172725
11130,Cc1cc(OCCSC(N)=O)ccc1ONCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.027468136
11131,Cc1ccccc1N1CCN(CCN2CCC(C(=O)OCc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5651102
11132,Cc1ccccc1N1CCN(CCN2CCC(c3cccc(F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73522717
11133,FCCCN1CCN(Cc2cccc(Cc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7270158
11134,N#CC1CCN(CCN2CCN(c3ccccc3Oc3ccc4nc(O)ccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82382256
11135,N#Cc1c(Cl)cccc1-c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.606686
11136,O=C(C=Cc1ccccc1)Nc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.38373688
11137,O=C(NC1CCN(CCN2CCN(c3ccccc3O)CC2)CC1)c1cc2ccccc2s1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75045675
11138,O=C1Nc2ccccc2OC1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49640593
11139,Oc1ccc2nccc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)c2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74824816
11140,Oc1cccc2c1CN1CCc3cc(Nc4cccc(Cl)c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44278058
11141,Oc1nc2ccccc2n1-c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68110204
11142,CC(=O)Nc1ccc(C2CCN(Oc3ccc(OCCNS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.09920704
11143,CC(C)(C)Oc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8014275
11144,CCCOc1ccc(OC(N)=O)c(N2CCN(c3ccccc3OCCF)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2513092
11145,CCCOc1ccc(OF)c(CN2CCC(c3ccccc3CC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.55933595
11146,CCCOc1ccc(ON2CCN(c3ccccc3OCC)CC2)c(COCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.368509
11147,CCCOc1ccc(ONC)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09607527
11148,CCCOc1ccc(ONC=O)c(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27898604
11149,CCCOc1ccc(OS(C)(=O)=O)c(CCCc2cccc3c(OCC(F)(F)F)cccc23)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12720668
11150,CCCOc1ccc(OS(C)(=O)=O)c(NC2CCc3c(cccc3OCC)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.57294154
11151,CCCOc1ccc(OS(C)(=O)=O)c(NCCC2CCC(O)c3cc(C(C)=O)ccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24865115
11152,CCCOc1ccc(OSC)c(NC(=O)Cc2cccc3ccccc23)c1,[*]CCOc1ccc(O[*])c([*])c1,0.016767224
11153,CCCc1cccc2c1CN1CCc3cc(OCc4ccccc4)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7989931
11154,CCc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67676705
11155,COC1CCN(CCN2CCN(c3ccccc3-n3cnc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.587585
11156,COC1CCN(CCN2CCN(c3ccccc3C3CCc4cc(Oc5ccccn5)ccc4C3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6533157
11157,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3cn4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.390441
11158,COCCCN1CCN(Cc2cccc(C3Nc4ccccc4C(=O)N3c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54444414
11159,COCCCN1CCN(Cc2cccc(CNc3csc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.39151657
11160,COOc1ccc(OCCNCc2cc3ccccc3s2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.15303041
11161,COc1cc2c(cc1C)CCN1Cc3c(cccc3OCc3ccc(C#N)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65479547
11162,COc1cc2c(cc1CN1CCCCC1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57818395
11163,COc1cc2c(cc1O)C1Cc3cccc(-c4cc(C#N)ccc4OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62539953
11164,COc1cc2c(cc1O)C1Cc3cccc(C=CCO)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.85074306
11165,COc1ccc(-c2cc(C(=O)NCCN3CCN(OC)CC3)ccc2OC)c(OC)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.21711177
11166,COc1ccc(C(=O)NCCN2CCN(c3ccccc3OC(F)(F)F)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.75896347
11167,COc1ccc(C2CCN(Oc3ccc(OCCN=S(C)(=O)O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.15964529
11168,COc1ccc(COc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7228806
11169,COc1ccc(OCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.9277477
11170,COc1ccc(OCCN(C)C)cc1CNC(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.030532844
11171,COc1ccc(OCCN2CCC(C(=O)c3cccc(F)c3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.6286834
11172,COc1ccc(OCCN2CCCC(Oc3ccccc3C)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.34387252
11173,COc1ccc(OCCN2CCN(c3ccc(C(C)=O)cc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.6811322
11174,COc1ccc(OCCN=S(C)(=O)O)cc1CC1CCc2ccc(OCC3CCC3)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.27131283
11175,COc1ccc(OCCNS(=O)(=O)c2cccc(C(C)C)c2)cc1C1CCCN(C)C1,[*]CCOc1ccc(O[*])c([*])c1,0.32024312
11176,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(c2ccc(CC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.30039108
11177,COc1cccc(CN2CCN(CCCCn3ccc(C=Cc4ccccc4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6622283
11178,COc1cccc2c1CN1CCc3cc(-c4ccc5c(CO)cccc5c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66317075
11179,COc1ccccc1N1CCN(CCN2CCC(COc3ccc(-c4cn5ccccc5n4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8843737
11180,COc1ccccc1N1CCN(CCN2CCC(N(Cc3ccccc3)C(C)=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8440584
11181,COc1ccccc1N1CCN(CCN2CCC(c3ncccc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7992861
11182,COc1ccccc1N1CCN(CCN2CCC(n3c(=O)ccc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74864995
11183,Cc1cc(OCCN2CCC(=O)[SH](=O)(c3ccc(F)c(F)c3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.38927683
11184,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCCC(c2cccc(C=O)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.21993946
11185,Cc1cc(OCCNC(=O)COc2ccc3c(c2)CC(=O)CC3)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.051440332
11186,Cc1cc(OCCOC(C)COc2ccc3c(c2)NC(=O)CC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.21364602
11187,Cc1cc(OCCOS(C)(=O)=O)ccc1ON1CCC(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21243663
11188,Cc1cc(OCCSCCCc2ccc3c(c2)NC(=O)CC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.17487822
11189,Cc1cccc2c1CN1CCc3cc(O)c([N+](=O)[O-])cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4551768
11190,Cc1ccccc1N1CCN(CCN2CCC(c3ccncc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7113852
11191,Cc1ccccc1N1CCN(CCN2CCC(n3ccc(-c4ccccc4)c3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68527657
11192,Clc1cccc(CN2CCN(CCCCc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.861568
11193,O=C(NC1CCCc2ccccc21)c1cccc(CN2CCN(CCCO)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5764459
11194,O=c1ccc2ccccc2n1CCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6410165
11195,ON=Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6909896
11196,ON=[SH](=Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)c1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6113734
11197,Oc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(COc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6887126
11198,C=CC1Cc2ccccc2N1C(=O)CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6765192
11199,C=[N+](O)c1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73208237
11200,CCC1CN(Oc2ccc(OCCN=S(C)(=O)O)cc2C)CCc2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.20299444
11201,CCCOc1ccc(OCN2CCN(c3ccc(SC)cc3)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5163448
11202,CCCOc1ccc(ON)c(N2CCN(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3200933
11203,CCCOc1ccc(ON2CCN(c3ccccc3F)CC2)c(OC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13040866
11204,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(Oc3ccc4c(c3)NC(=O)CCC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4078817
11205,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(Cc3ccc4c(c3)CCCC(=O)N4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37848938
11206,CCCOc1ccc(OS(N)(=O)=O)c(NC(=O)COc2ccc(CCCF)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.010852477
11207,CNC1CCc2cccc(Cc3cc(OCCS(C)(=O)=O)ccc3OC)c2CC1,[*]CCOc1ccc(O[*])c([*])c1,0.42019278
11208,CNCCOc1ccc(ONC(=O)c2ccccc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.026873501
11209,CNOc1ccc(OCCCCCc2ccc3c(c2)CCCC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.1470497
11210,COC(=O)NC1CCN(CCN2CCN(c3ccccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9178923
11211,COC1CCN(CCN2CCN(c3ccccc3Cc3cn4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7317646
11212,COCCCN1CCN(Cc2cccc(N(C(=O)c3ccccc3)C3CCCC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51701295
11213,COCCCN1CCN(Cc2cccc(N3C(=O)CC(C)(C)CC3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54065835
11214,COCCOc1ccc(OCN2CCN(Cc3ccccc3OC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40862295
11215,COCCOc1ccc(OCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5202007
11216,COc1cc(C(=O)NCCN2CCN(c3ccccc3SC)CC2)ccc1S(C)(=O)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.7563882
11217,COc1cc(C(C)C)ccc1NS(=O)(=O)Oc1ccc(OCCF)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.07215695
11218,COc1cc2c(cc1C1CCCC1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6952466
11219,COc1cc2c(cc1O)C1Cc3cccc(C(=O)NCc4cccc(C(F)(F)F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5238532
11220,COc1cc2c(cc1O)CCN1Cc3c(Cc4cc(CO)c5ccccc5c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7427484
11221,COc1cc2c(cc1OC)C1Cc3cccc(Oc4ccc5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75671613
11222,COc1ccc(OCCC(F)CCc2ccccc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.14021108
11223,COc1ccc(OCCC(N)=O)cc1CCNC(=O)c1cc2ccccc2o1,[*]CCOc1ccc(O[*])c([*])c1,0.025044657
11224,COc1ccc(OCCC2(F)CCCN(C(=O)c3ccc(F)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09841976
11225,COc1ccc(OCCCF)cc1CC1CCN(S(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.17426252
11226,COc1ccc(OCCCNC(=O)c2cccc(C(F)(F)F)c2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.04688906
11227,COc1ccc(OCCCSc2ccccc2C(C)C)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07940379
11228,COc1ccc(OCCN2CCC(Cc3ccc4ccc(F)cc4c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.49805194
11229,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCC(COc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.23664336
11230,COc1ccc(OCCNCc2ccc(OC3CCNCC3)cc2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.23918907
11231,COc1ccc(OCCNS(=O)(=O)c2cccc(C(C)=O)c2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.016462184
11232,COc1ccc(OCCS(C)(=O)=O)cc1N1CC(Oc2ccc(F)cc2)CCC1CF,[*]CCOc1ccc(O[*])c([*])c1,0.14799252
11233,COc1ccc2nc(O)cc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)c2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7154508
11234,COc1cccc(CN2CCN(CCCCNC(=O)c3cccnc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51933914
11235,COc1cccc2c1CN1CCc3cc(Br)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7701806
11236,COc1ccccc1C(=O)CCCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5437719
11237,COc1ccccc1CC1CCN(CCOc2ccc(ON=S(C)(=O)O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5303516
11238,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc4nc(O)ccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85136694
11239,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cccc(C#Cc4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9254314
11240,COc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7275788
11241,CS(=O)(=O)NCCOc1ccc(ONS(C)(=O)=O)c(CN2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.47630993
11242,Cc1cc(CCCCCN2CCN(Cc3cccc(Cl)c3)CC2)oc(=O)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65585744
11243,Cc1cc(OCCCN2CCC(=O)NC2)ccc1ONS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.25252917
11244,Cc1cc(OCCN2CCC(=O)C(c3ccc(F)cc3)C2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.42849907
11245,Cc1cc(OCCNCCc2cccs2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13909964
11246,Cc1cc(OCCNS(=O)(=O)c2cccc(C(C)C)c2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.067340225
11247,Cc1ccccc1N1CCN(CCN2CCC(c3ccccc3-c3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69499415
11248,Cc1nn(-c2ccccc2N2CCN(CCN3CCC(O)CC3)CC2)cc1-c1ccccc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.61263126
11249,O=C(NCc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1)c1cccs1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48500738
11250,O=C(Nc1c(Cl)cccc1Cl)Oc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42706928
11251,O=C1CCCN(c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)C1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45451176
11252,O=C1CCCc2ccccc2N1c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7364747
11253,Oc1cccc2c1CN1CCc3cc(CC(O)c4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57546777
11254,CC(=O)Nc1ccc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.51012677
11255,CC(C)(C)OC(=O)NCCc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7180272
11256,CC1(C(=O)NCCCCN2CCN(Cc3cccc(Cl)c3)CC2)CCCNC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49548173
11257,CC1(C)CN(c2cccc(CN3CCN(CCCF)CC3)c2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6444023
11258,CCCOc1ccc(OC(=O)COc2ccccc2)c(NC(=O)OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0145151485
11259,CCCOc1ccc(OC(=O)COc2ccccc2N2CCNCC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22800502
11260,CCCOc1ccc(ON)c(CC(C=O)Nc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.076689765
11261,CCCOc1ccc(ON2CCC(C(=O)c3ccccc3OC)CC2)c(NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13310441
11262,CCCOc1ccc(ON2CCN(Cc3ccccc3)CC2)c(OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.55511165
11263,CCCOc1ccc(ON=CN2CCN(c3ccccc3OC)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34383687
11264,CCCOc1ccc(ONC)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7972166
11265,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38186383
11266,CCOc1ccccc1N1CCN(CCN2CCC(n3cc(-c4cccnc4)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8113807
11267,CCOc1ccccc1N1CCN(c2cc(OCCNS(C)(=O)=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31075904
11268,CN(C)Oc1ccc(OCCNS(C)(=O)=O)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06401563
11269,COC1=CC=C(C)CN=CC(C2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)=C1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7553247
11270,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6896297
11271,COC1CCN(CCN2CCN(c3ccccc3S(=O)(=O)c3cccc4ccc(O)nc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6317905
11272,COCCCN1CCN(Cc2cccc(-c3cccc(-c4ccc(F)cc4)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6029404
11273,COCCCN1CCN(Cc2cccc(CNC(=O)c3cc4ccc3CCc3ccccc3CC4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5868868
11274,COCCOc1ccc(OC)c(N2CCN(c3cccc(F)c3C(C)C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35690287
11275,COCCOc1ccc(OF)c(CN2CCN(c3ccccc3C=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6822326
11276,COc1cc(C(=O)NCCN2CCN(C#N)CC2)ccc1-c1cccc(Cl)c1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2816484
11277,COc1cc2c(cc1Cc1cccc(C)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7409209
11278,COc1cc2c(cc1O)C1Cc3cccc(-c4csc(CO)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71004796
11279,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc([O-])cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6702954
11280,COc1cc2c(cc1OC)C1Cc3cccc(N4CCCCC4OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5260421
11281,COc1cc2c(cc1Oc1cccc(C#N)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6972515
11282,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccccc1Cc1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33440432
11283,COc1ccc(OCCCN2CCC(c3ccccc3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6772012
11284,COc1ccc(OCCCN=O)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7197999
11285,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)SCCC(=O)N4)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4592584
11286,COc1ccc(OCCN2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.60957944
11287,COc1ccc(OCCN=S(C)(=O)O)cc1C1CCCN(CCc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.46467546
11288,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(c2cccc(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20212169
11289,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1NS(=O)(=O)c1ccc(SC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.023303917
11290,COc1ccc(OCCNS(=O)(=O)c2ccccc2C(C)C)cc1CC1CCCCN1,[*]CCOc1ccc(O[*])c([*])c1,0.13205326
11291,COc1ccc(OCCOC(C)C)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.819266
11292,COc1cccc(CN2CCN(CCCCN3C(=O)c4ccccc4S3(=O)=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6961836
11293,COc1cccc(CN2CCN(CCOc3ccc(OC)c(NS(C)(=O)=O)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3487935
11294,COc1cccc2c1CN1CCc3cc(C=NOc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6782454
11295,COc1ccccc1N1CCN(CCN2CCC(Oc3ccc4nc(O)[nH]c4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8061793
11296,COc1ccccc1NCCOc1ccc(ON=S(C)(=O)O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04178983
11297,CS(=O)(O)=Nc1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56633174
11298,CSOc1ccc(OCCCCCCc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.2126161
11299,CSOc1ccc(OCCNCCCC2CC3=C2NC=C(F)C=C3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.24713933
11300,Cc1cc(OCCN2CCC(Oc3ccccc3C3CCC3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.63319236
11301,Cc1cc(OCCNC2CCC(Cc3ccc(F)cc3)CN2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.20622757
11302,Cc1cc(OCCNCc2ccccn2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13974775
11303,Cc1cccc(OCc2cccc3c2CN2CCc4cc(O)c(C)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6018129
11304,Fc1cccc(CN2CCN(CCCc3ccc(Cl)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6962407
11305,O=C(Cc1ccccc1)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53021574
11306,O=C(NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)c1ccco1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7413216
11307,O=Cc1ccc(-c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6335624
11308,Oc1ccc(Br)c(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.795342
11309,Oc1cccc2c1CN1CCc3cc(Oc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.724486
11310,Oc1nc2cc(F)ccc2n1C1CCN(CCN2CCN(c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68200696
11311,C=N[N+](CO)c1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61658686
11312,CC(=O)c1cc(OCCCC(=O)c2ccc(F)cc2)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.070404015
11313,CC(=O)c1ccc(OCC(=O)NCCOc2ccc(ON3CCCCC3)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.0273781
11314,CC(C)c1ccccc1N1CCN(CCN2CCC(CNCc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7357323
11315,CC1CCN(CCN2CCN(c3ccccc3-n3cc(-c4ccccc4)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7247004
11316,CCCOc1ccc(OCN2CCC(C(=O)c3ccc(F)cc3)CC2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3857393
11317,CCCOc1ccc(OCN2CCN(c3ccc(F)c(C(F)(F)F)c3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.54849064
11318,CCCOc1ccc(ON2CCN(c3ccccc3OCC)CC2)c(C(=O)OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14624609
11319,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(c3ccc(Br)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1930606
11320,CCCc1occc1-c1cc(OCCOC)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.0955882
11321,CCOCCCN1CCN(Cc2cccc(-c3ccc4c(c3)CCNC4=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60576546
11322,CCOCCOc1ccc(OC)c(N2CCN(S(C)(=O)=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17180645
11323,CCOc1ccccc1-c1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56406325
11324,CCOc1ccccc1C(=O)Nc1cc(OCCC(=O)OC)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.019522667
11325,CNC(=O)C1(CCCN2CCN(Cc3cccc(Cl)c3)CC2)CCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5730955
11326,CNC(=O)c1ccc(C(=O)NCc2cc(OCCF)ccc2OC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.022834446
11327,CNCCOc1ccc(OC)c(N2CCCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31820986
11328,CNN1CCN(CCNC(=O)c2ccc(OC)c(-c3ccccc3C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2547317
11329,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3cncc4ccc(O)cc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4418926
11330,COCCCN1CCN(Cc2cccc(Cc3cccc4oc(S)nc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54513943
11331,COCCCN1CCN(Cc2cccc(N3C(=O)c4ccccc4C3C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54906964
11332,CON1CCN(CCNC(=O)c2ccc(C(N)=O)c(-c3cccc(C)c3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27401295
11333,CON1CCN(CCNC(=O)c2ccc(C)c(-c3cccc(Cl)c3Cl)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.25129935
11334,COOc1ccc(OCCN2CCN(Cc3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5599856
11335,COOc1ccc(OCCc2ccc(C(C)=O)s2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.028120538
11336,COc1cc2c(cc1C(=O)NCc1ccc(C)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45978326
11337,COc1cc2c(cc1CF)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79457676
11338,COc1cc2c(cc1O)C1Cc3cccc(NC(=O)OCc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3732264
11339,COc1cc2c(cc1OC(=O)Nc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34466538
11340,COc1cc2c(cc1OC)C1Cc3cccc(CNOc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6898991
11341,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc5cc(C#N)ccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5965952
11342,COc1ccc(C(=O)NCCN2CCN(c3ccc(Cl)cc3)CC2)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.6323641
11343,COc1ccc(F)cc1-c1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8341273
11344,COc1ccc(OCCC(F)COc2ccc3c(c2)CCCC3)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.15768236
11345,COc1ccc(OCCCC2CCN(C)CC2)cc1CF,[*]CCOc1ccc(O[*])c([*])c1,0.49023765
11346,COc1ccc(OCCCc2cccs2)cc1NS(=O)(=O)c1ccc(C(C)C)c(Cl)c1,[*]CCOc1ccc(O[*])c([*])c1,0.061941877
11347,COc1ccc(OCCN2CCC(c3ccccc3C#N)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5955079
11348,COc1ccc(OCCN=S(C)(=O)O)cc1CNc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.041446824
11349,COc1ccc(OCCS(C)(=O)=O)cc1CCOc1ccc(CCCF)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.090324774
11350,COc1ccc(OCCSCc2ccc(C(C)=O)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.023035694
11351,COc1cccc(CCCCOc2ccc(ON=S(C)(=O)O)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07841567
11352,COc1cccc(CN2CCN(CCCC(=O)N3CCc4c(OC)cccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.47713023
11353,COc1cccc(CN2CCN(CCCCC3CC(=O)c4ccccc4N3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6208005
11354,COc1cccc(CNC(=O)c2cc3c(cc2OC)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4521565
11355,COc1cccc(CNC2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83553725
11356,COc1cccc(NC(=O)Nc2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.31018713
11357,COc1cccc2c1CN1CCc3cc(CCc4ccc5ccccc5c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7198084
11358,COc1ccccc1CC1CCN(CCOc2ccc(OC)c(S(C)(=O)=O)c2)C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.3392736
11359,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccnc4ccc(O)cc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7969507
11360,CS(=O)(=O)NOc1ccc(OCCF)cc1C(=O)CCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.14899734
11361,Cc1cc(OCCN=S(C)(=O)O)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.049772695
11362,Cc1cc(OCCSCc2ccccc2)ccc1ON1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3384642
11363,Cc1ccccc1N1CCN(CCN2CCC(Oc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7080719
11364,FCCCN1CCN(Cc2cccc(-c3ncc(-c4ccccc4)o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5022
11365,O=C(NCc1cccc(CN2CCN(CCCCl)CC2)c1)C1Cc2ccccc2C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6323061
11366,O=S1(=O)CCCN1c1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6850667
11367,Oc1cc2c(cc1Nc1ccccc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48282158
11368,Oc1cccc2c1CN1CCc3cc(C4CCCC4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6275578
11369,Sc1ccc(-c2cccc(CN3CCN(CCCCl)CC3)c2)cn1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.629726
11370,CC(=O)c1ccc(C(=O)C2CCN(COc3ccc(OCCF)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.3757308
11371,CCCOc1ccc(OC=O)c(N2CCN(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27501547
11372,CCCOc1ccc(OCN2CCN(CC(=O)N3c4ccccc4CCC3C)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25356284
11373,CCCOc1ccc(OF)c(CN2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6113847
11374,CCCOc1ccc(OF)c(N2CCCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21292204
11375,CCCOc1ccc(ON2CCN(c3ccccc3OCC)CC2)c(NC(=O)OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17294204
11376,CCCOc1ccc(ONC(=O)c2cccc(C3CCNCC3)c2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12497476
11377,CCCOc1ccc(ONS(C)(=O)=O)c(NC(=O)COc2ccc(C3CCN3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.036515716
11378,CCCOc1ccc(OS(C)(=O)=O)c(CNCC(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07463805
11379,CCCOc1ccc(OS(C)(=O)=O)c(NCCc2ccc(F)cn2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05997593
11380,CCCOc1ccc(OS(N)(=O)=O)c(N2CCCC(c3ccccc3OCC)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29566908
11381,CCOc1cc(CCOc2ccc(ON=S(C)(=O)O)c(C)c2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.04689404
11382,COC(=O)Oc1ccc(OCCCN2CCN(c3ccccc3OC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.8106402
11383,COC1CCN(CCN2CCN(c3ccccc3-c3cc(-c4ccco4)ccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69276094
11384,COC1CCN(CCN2CCN(c3ccccc3-c3ccc4cc(C(N)=O)ccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6889863
11385,COC1CCN(CCN2CCN(c3ccccc3-n3cc(C)c(=O)c4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.62614
11386,COCCOc1ccc(OC)c(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4103221
11387,COCc1ccc(OCc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7160359
11388,COCc1cccc2c1CN1CCc3cc(CO)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78651726
11389,CON1CCN(CCNC(=O)c2ccc(C(=O)O)c(-c3cccc(C)c3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.25795788
11390,COOc1ccc(OCCN2CCC(S(=O)(=O)c3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.63721293
11391,COOc1ccc(OCCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.03861968
11392,COc1cc2c(cc1-c1ccc(CO)c3ccccc13)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67274296
11393,COc1ccc(F)cc1OCCCOc1ccc(ON2CCN(C)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40862912
11394,COc1ccc(OCCN2CCC(Oc3ccc(F)cc3)CC2)cc1N,[*]CCOc1ccc(O[*])c([*])c1,0.7740938
11395,COc1ccc(OCCN2CCN(c3ccc(C(C)C)cc3)CC2)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.53878254
11396,COc1ccc(OCCN2CCOC(CCc3ccc(F)cc3)C2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.4644456
11397,COc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1COc1ccccc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.02496372
11398,COc1ccc(OCCNC(C)=O)cc1C1CCCC(CC2=CC3=C(CCC(=O)C=C3)[SH]=N2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.11832111
11399,COc1ccc(OCCS(C)(=O)=O)cc1C1CCN(CCc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.694428
11400,COc1ccc(OCCS(C)=O)cc1CCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.11400603
11401,COc1cccc(CN2CCN(CCCc3nc(C)cs3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57078105
11402,COc1cccc2cc(C(=O)NCCCCN3CCN(Cc4cccc(F)c4)CC3)oc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5282759
11403,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(OC)CC2)cc1OC(C)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.34718484
11404,COc1ccccc1Cc1ccccc1N1CCN(CCN2CCC(C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7829296
11405,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(F)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.88750726
11406,Cc1cc(OCCF)ccc1OCN1CCN(C(=O)c2ccc(C(C)C)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.06520147
11407,Cc1cc(OCCN2CCC(C3CCc4ccccc4C3=O)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.66822296
11408,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCC4)SC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5415363
11409,Cc1cc(OCCN2CCC(Cc3ccc4ccccc4c3)OC2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.49632514
11410,Cc1cc(OCCN2CCN(C=O)CC2)ccc1OOC(=O)Cc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.3002846
11411,Cc1cc(OCCN2CCN(Cc3cc4ccccc4o3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.67330873
11412,Cc1cc(OCCN2CCN(c3ccc(Cl)cc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.7256482
11413,Cc1cc(OCCN=S(C)(=O)O)ccc1OCn1cccc1C=O,[*]CCOc1ccc(O[*])c([*])c1,0.07887514
11414,Cc1cc(OCCNCc2ccsc2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.17903061
11415,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(Oc2ccc3ccccc3c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25015306
11416,Cc1cc2c(cc1-c1cc3ccccc3[nH]1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6650219
11417,Cc1cccc(CN2CCN(CCCOC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60101736
11418,Cc1ccccc1CC1CCN(CCOc2ccc(OOS(=O)(=O)C(F)(F)F)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5898272
11419,Fc1cccc(CN2CCN(CCCc3cc(-c4ccccc4)no3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69776565
11420,O=C(Cc1cccc(CN2CCN(CCCF)CC2)c1)N1CCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46801403
11421,O=[N+]([O-])Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45495385
11422,O=[SH](O)(Nc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2)c1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5037777
11423,OC1CCN(CCN2CCN(c3ccccc3C(O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68411046
11424,OCCNCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6102986
11425,Oc1cccc2c1CN1CCc3cc(N4CCN(OCc5ccccc5)CC4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6443773
11426,Oc1ccccc1N1CCN(CCN2CCC(CF)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.718519
11427,C=COc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78470516
11428,CC1CCN(CCN2CCN(c3ccccc3-c3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75623065
11429,CC1CCSN(Cc2cc(OCCN=S(C)(=O)O)ccc2ONS(C)(=O)=O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.08478251
11430,CCCOc1ccc(OC)c(CN2CCN(CC(=O)N3c4ccccc4CC3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.81329143
11431,CCCOc1ccc(OCCOc2ccc(C)cc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.088948295
11432,CCCOc1ccc(OCN2CCCN(c3cccc(C(F)(F)F)c3)CC2)c(C(=O)OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3412884
11433,CCCOc1ccc(OCNS(C)(=O)=O)c(CN2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4916392
11434,CCCOc1ccc(ONS(C)(=O)=O)c(COCC2CCCc3ccc(C(C)=O)cc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2328689
11435,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(Cc3ccc4c(c3)C(OC)CCC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40779078
11436,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(Oc3ccc4c(c3)CNC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.444939
11437,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCC(c3ccc(C)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24711356
11438,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCC(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34188485
11439,CCCOc1ccc(OS(=O)(=O)NC)c(N2CCC(CCc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34998468
11440,CCCOc1ccc(OS(=O)(=O)c2ccccc2OC)c(N2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34943888
11441,CCCOc1ccc(OS(C)(=O)=O)c(COc2ccccc2C(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10491976
11442,CCOc1ccccc1N1CCCN(Cc2cc(OCCC(C)=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.61178833
11443,CCOc1ccccc1S(=O)(=O)NCCOc1ccc(OS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09155697
11444,CNN1CCN(CCNC(=O)c2ccc(F)c(-c3ccccc3OC)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.36140594
11445,COC(=O)c1cccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4295799
11446,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccc(F)nc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78723544
11447,COC1CCN(CCN2CCN(c3ccccc3Cc3cnc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7553469
11448,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3cc4ccccc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.42408442
11449,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc(C)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7767694
11450,COCCOc1ccc(OCCOc2ccccc2C)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10732029
11451,COc1cc2c(cc1O)C1Cc3cccc(C(F)(F)OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7026
11452,COc1cc2c(cc1O)CCN1Cc3c(C=NOCc4cccc(C)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68762463
11453,COc1ccc(-c2cccc3c2CN2CCc4cc(O)c(CO)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59332883
11454,COc1ccc(OCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1Cn1cc(F)cn1,[*]CCOc1ccc(O[*])c([*])c1,0.8082383
11455,COc1ccc(OCCCOc2cccc(F)c2)cc1NC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.04453348
11456,COc1ccc(OCCN2CCC(c3ccc(F)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.8049964
11457,COc1ccc(OCCN2CCCC(Cc3ccccc3)C2)cc1S(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.37872714
11458,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(Cc2cc(C)cc3c2NC(=O)CCC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2589791
11459,COc1ccc(OCCN=S(C)(=O)O)cc1NC(CCc1ccc2c(c1)NC(=O)CC2)OC,[*]CCOc1ccc(O[*])c([*])c1,0.18573481
11460,COc1ccc(OCCNS(C)(=O)=O)cc1C(C)CCc1cc2ccccc2o1,[*]CCOc1ccc(O[*])c([*])c1,0.10284376
11461,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCCC(CCc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.25733143
11462,COc1ccc(OCCNS(C)(=O)=O)cc1NS(=O)(=O)c1cccc2cc(CCC(F)(F)F)ccc12,[*]CCOc1ccc(O[*])c([*])c1,0.113251485
11463,COc1ccc(OCCSC)cc1NC(=O)Cc1ccc2c(c1)C(O)CCC2,[*]CCOc1ccc(O[*])c([*])c1,0.12986103
11464,COc1cccc(OC)c1-c1cc2c(cc1O)CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7137876
11465,COc1cccc2c1CN1CCc3cc(CNS(C)(=O)=O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4839595
11466,COc1ccccc1CNC(=O)C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.720411
11467,COc1ccccc1N1CCN(CCN2CCC(Nc3cnccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.89058673
11468,CS(=O)(=O)c1ccccc1N1CCN(CCN2CCC(c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81328636
11469,CSOc1ccc(OCCN2CCc3cc(CC(C)=O)ccc3C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.38304105
11470,CSc1ccc(CS(=O)(=O)NCCOc2ccc(OS(C)(=O)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.08951707
11471,Cc1cc(OCCCOCCc2ccc3c(c2)NC(=O)CC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.24292657
11472,Cc1cc(OCCF)ccc1OCN1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.43090978
11473,Cc1cc(OCCF)ccc1ONC(=O)c1ccsc1,[*]CCOc1ccc(O[*])c([*])c1,0.03071836
11474,Cc1cc(OCCN2CCC(Cc3ccc(S(C)(=O)=O)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5548069
11475,Cc1cc(OCCN2CCC(NS(C)(=O)=O)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6249691
11476,Cc1cc2c(cc1-c1ccco1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67114305
11477,Cc1ccc(NCc2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39089456
11478,Cc1ccc2c(-c3cc(C(=O)NCCN4CCN(C)CC4)ccc3C)cccc2n1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.23956911
11479,ClCCCN1CCN(Cc2cccc(Cc3ccc4sccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6452789
11480,FCCOc1cccc(CN2CCN(CCCCOc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66238856
11481,O=[N+]([O-])C1CCN(CCN2CCN(c3ccccc3S(=O)(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5180027
11482,O=c1cc(CCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c2ccccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65531135
11483,O=c1n(CCCN2CCN(Cc3cccc(F)c3)CC2)c2ccccc2n1-c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63625306
11484,C=Cc1cccc2c1CN1CCc3cc(OC)c(CO)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6635549
11485,CC1Cc2ccc(Cc3cccc(CN4CCN(CCCCl)CC4)c3)nc2NC1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65227336
11486,CCCOc1ccc(OC)c(CN2CCC(NS(=O)(=O)c3cccc(Cl)c3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.62179077
11487,CCCOc1ccc(OC)c(CN2CCCN(c3ccc(C(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.73186314
11488,CCCOc1ccc(OC)c(NCc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15938728
11489,CCCOc1ccc(OCN2CCC(c3ccccc3OCC)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.59307724
11490,CCCOc1ccc(OF)c(N2CCN(c3ccccc3OCC)C(=O)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1696915
11491,CCCOc1ccc(ONS(C)(=O)=O)c(CCC2CCc3ccc(F)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.44584283
11492,CCCOc1ccc(OS(C)(=O)=O)c(C2CCCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3242553
11493,CCCOc1ccc(OSC)c(CCNC(=O)c2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.033177305
11494,CCOc1ccccc1N1CCN(CCOc2ccc(ONC=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6854309
11495,COC1CCN(CCN2CCN(c3ccccc3-c3cnc(O)c4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7187774
11496,COC1CCN(CCN2CCN(c3ccccc3-n3cc(O)nc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70844823
11497,COCCCN1CCN(Cc2cccc(Cn3cc(-c4ccccc4)c(C)n3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.52929527
11498,COCCOc1ccc(OC)c(NC(=O)Cc2ccc3c(c2)CC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.044680316
11499,COCCOc1ccc(OCCN2CCC(c3ccccc3OC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6493376
11500,COCCOc1ccc(OCNC(=O)c2cc(N3CCN(C)CC3)ccc2OC)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15147416
11501,COOc1ccc(OCCCC(Cc2ccc3c(c2)NC(=O)CC3)OC)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.2325156
11502,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1C=Cc1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.37484115
11503,COc1cc2c(cc1C)CCN1Cc3c(Cc4cccc([N+](=O)[O-])c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41226372
11504,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(CO)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71946645
11505,COc1cc2c(cc1O)C1Cc3cccc(OC(=O)Nc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.37702137
11506,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)OCc3ccc(CO)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5664661
11507,COc1cc2c(cc1O)CCN1Cc3c(cccc3C3CC(O)C3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7495272
11508,COc1cc2c(cc1OC)C1Cc3cccc(C4CCCN4CCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7396152
11509,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(CCO)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7258289
11510,COc1ccc(C#N)cc1-c1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77043486
11511,COc1ccc(CCCCN2CCN(Cc3cccc(Cl)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6913246
11512,COc1ccc(COCc2cc3c(cc2OC)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76575273
11513,COc1ccc(OCCC(C)Cc2ccc(F)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10618567
11514,COc1ccc(OCCC(F)COc2ccccc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09434841
11515,COc1ccc(OCCCS(C)(=O)=O)cc1C(=O)CCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.18482989
11516,COc1ccc(OCCCc2ccc(SC=O)c(OC)c2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.069425166
11517,COc1ccc(OCCCc2ccccc2)cc1S(=O)(=O)NC1CCN(C(=O)c2ccccc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.10306037
11518,COc1ccc(OCCN2CCC(NC(=O)c3cccc(C(F)(F)F)c3)C2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.5228487
11519,COc1ccc(OCCN2CCC(c3ccccc3OC)CC2)cc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.7761711
11520,COc1ccc(OCCN2CCN(C(c3ccccc3)c3cccc(C(F)(F)F)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4374107
11521,COc1ccc(OCCN=S(C)(=O)O)cc1C1CC(=O)Nc2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.080626465
11522,COc1ccc(OCCN=S(C)(=O)O)cc1OC1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.12426354
11523,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1C=CN1CCC(S(=O)(=O)O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.10921949
11524,COc1ccc(OCCNC(=O)c2cccs2)cc1CN1CCC(S(=O)(=O)c2cccc(Cl)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3015655
11525,COc1ccc(OCCNS(C)(=O)=O)cc1NC1CCc2ccc(OCC(F)(F)F)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.4518046
11526,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(c2ccc(Cl)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.29943544
11527,COc1ccc(OCCc2ccc(F)cc2)cc1CN1CCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8375896
11528,COc1cccc(CN2CCN(CCCc3coc4c(C)cccc4c3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.42918548
11529,COc1cccc(CNC(=O)c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44191962
11530,COc1cccc(NC(=O)C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64120805
11531,COc1ccccc1N1CCN(CCNC(=O)c2ccc(O)c(SC)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.8722724
11532,COc1ccccc1N1CCN(Oc2ccc(OCCCF)cc2S(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31383637
11533,COc1ccn(-c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8079779
11534,Cc1cc(OCCCl)ccc1ONC(=O)Cc1ccccc1S(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.019753268
11535,Cc1cc(OCCF)ccc1OCNCC1CCN(C=S(C)(=O)O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.13568798
11536,Cc1cc(OCCNCCc2cccc3c2CNC(=O)C3)ccc1ON=S(=O)(O)O,[*]CCOc1ccc(O[*])c([*])c1,0.12580435
11537,Cc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6908534
11538,Fc1ccc(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)nc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8003501
11539,O=C(c1ccccc1)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49435762
11540,OCc1cc2c(cc1O)C1Cc3cccc(-c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62104905
11541,Oc1ccccc1N1CCN(CCN2CCC(c3cc4ccccc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6961858
11542,C#Cc1cccc(Cc2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6858275
11543,CC1CCN(CCN2CCN(c3ccccc3-n3ccc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6620387
11544,CCCOc1ccc(OCN)c(-c2ccccc2OCC(F)(F)F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1732862
11545,CCCOc1ccc(OCN2CCN(c3ccc(Cl)cc3)CC2)c(-c2cccc(CF)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.62723935
11546,CCCOc1ccc(OCN=S(C)(=O)O)c(NCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07270742
11547,CCCOc1ccc(OCNS(C)(=O)=O)c(N2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2932568
11548,CCCOc1ccc(OCc2ccc(F)cc2)c(N2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31124473
11549,CCCOc1ccc(ON)c(Cc2ccc(Cl)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12986624
11550,CCCOc1ccc(ON2CCN(c3ccc(Cl)cc3)CC2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29377043
11551,CCCOc1ccc(ONS(C)(=O)=O)c(NCCc2cccs2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08357472
11552,CCCOc1ccc(OOS(C)(=O)=O)c(CCOc2ccc(CCC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08293731
11553,CCCOc1ccc(O[SH](C)(=O)O)c(N2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25800514
11554,CCCc1ccc(S(=O)(=O)NOc2ccc(OCCF)cc2C(=O)N2CCCCC2)s1,[*]CCOc1ccc(O[*])c([*])c1,0.045100488
11555,CCNC(=O)CCOc1ccc(OC)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5627794
11556,CCOC(=O)Nc1cccc(-c2cc3c(cc2OC)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.26635113
11557,CCOc1cc2c(cc1O)CCN1Cc3c(cccc3[N+](=O)c3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54356563
11558,CCOc1cc2c(cc1OC)CCN(Cc1cc(OCCOC)ccc1OC)C2,[*]CCOc1ccc(O[*])c([*])c1,0.48013884
11559,COCCCN1CCN(Cc2cccc(C(=O)OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.39345682
11560,COCCOc1ccc(OC)c(CN2CCN(CCc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.580605
11561,COCCOc1ccc(OC)c(CN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.85580236
11562,COCCOc1ccc(OC)c(N2CCN(c3cccc(OCC(F)(F)F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34606275
11563,COCCOc1ccc(OCCCc2ccc3c(c2)CC(=O)CC3)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19396932
11564,CON1CCN(CCNC(=O)c2ccc(C(=O)O)c(-c3cccc(Cl)c3Cl)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30355746
11565,COOc1ccc(OCCCN2CCN(c3ccccc3OC)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.9018347
11566,COOc1ccc(OCCCn2cccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.15017706
11567,COc1cc(C(=O)NCCN2CCN([O-])CC2)ccc1-c1ccccc1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2941982
11568,COc1cc2c(cc1O)C1Cc3cccc(-c4cccc(OC(F)(F)F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54183924
11569,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cccc(C)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67675316
11570,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc(COC5CCC5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6746645
11571,COc1cc2c(cc1OC)C1Cc3cccc(NC(=O)OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.259157
11572,COc1ccc(C2(O)CCCN(CCOc3ccc(OC)c(S(C)(=O)=O)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.39719087
11573,COc1ccc(CC2CCCN(CCOc3ccc(OC)c(S(N)(=O)=O)c3)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.38159344
11574,COc1ccc(COc2cc3c(cc2O)CCN2Cc4c(C)cccc4CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57769156
11575,COc1ccc(OC)c(C(=O)Nc2cccc(CN3CCN(CCCCl)CC3)c2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.28045946
11576,COc1ccc(OCCC(N)=O)cc1N1CCC(CC(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25176188
11577,COc1ccc(OCCCN2CC(Cc3ccc(F)cc3)CC2=O)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.2350057
11578,COc1ccc(OCCCNc2ccccc2)cc1CF,[*]CCOc1ccc(O[*])c([*])c1,0.13737439
11579,COc1ccc(OCCN2CCC(C(=O)c3cc(F)ccc3F)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.56080544
11580,COc1ccc(OCCN2CCC(OCCc3ccccc3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6919226
11581,COc1ccc(OCCNC(C)=O)cc1CNCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.076871954
11582,COc1ccc(OCCNCc2cccs2)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.14578874
11583,COc1ccc(OCCNS(C)(=O)=O)cc1CCC(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.037602436
11584,COc1ccc(OCCNS(C)(=O)=O)cc1OC1CCCc2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.2741269
11585,COc1ccc(OCCS(C)(=O)=O)cc1NC(=O)Cc1ccc(OC2CCCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.022933973
11586,COc1ccc(OCCS(N)(=O)=O)cc1CCCc1ccc2c(c1)CCC(=O)N2,[*]CCOc1ccc(O[*])c([*])c1,0.19601113
11587,COc1ccc(OCCSC)cc1Nc1ccccc1OCC(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.099239975
11588,COc1cccc(CN2CCN(CCCCN3CCCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7495526
11589,COc1cccc(CN2CCN(CCCCNC(=O)c3cc4ccccc4[nH]3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5803847
11590,COc1cccc2c1CN1CCc3cc(-c4ccc(CO)c5ccccc45)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6591178
11591,COc1ccccc1N1CCN(CCN2CCC(c3cc4occccc3N=C(O)C=C4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6193787
11592,Cc1cc(OCCF)ccc1OCN1CCC(Cc2ccc(S(C)(=O)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.30765226
11593,Cc1cc(OCCN2CCC(C(=O)N3CCC(C(F)(F)F)CC3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.39319056
11594,Cc1cc(OCCNCc2ccc(OC3CCNCC3)cc2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.23512305
11595,Cc1cc(OCCNCc2ccccc2)ccc1OC=[SH]O,[*]CCOc1ccc(O[*])c([*])c1,0.20178749
11596,Cc1ccccc1OC1CCN(CCOc2ccc(OS(N)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6020726
11597,ClC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccccc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83892524
11598,Fc1cccc(CCCN2CCN(Cc3cccc(F)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6768527
11599,O=C(NCc1cccc(CN2CCN(CCCO)CC2)c1)C1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49605197
11600,O=c1sccn1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6325822
11601,CC(C)(C)c1cccc(CN2CCN(CCCc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7392406
11602,CC1(C(=O)NCCCCN2CCN(Cc3cccc(Cl)c3)CC2)CCCCC1O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5480896
11603,CCCOc1ccc(OC)c(CNCC2CCc3ccc(S(C)(=O)=O)cc3CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30868018
11604,CCCOc1ccc(ON2CCC(c3ccc(F)cc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.46340322
11605,CCCOc1ccc(ONC)c(N2CCN(c3ccccc3OCCF)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4634036
11606,CCCOc1ccc(OS(C)(=O)=O)c(CNc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.052001774
11607,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(COc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34421933
11608,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(Oc3ccc(CC4CCCC(=O)N4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3080997
11609,CCCOc1ccc(OSC)c(CNc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09927624
11610,CCCOc1ccc(OSC)c(NCc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13980691
11611,CCN(C(=O)C1CCN(CCN2CCN(c3ccccc3OC)CC2)CC1)c1ccccc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8264098
11612,CNS(=O)(=O)Oc1ccc(OCCN2CCC(Cc3ccccc3OC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5184775
11613,COC1CCN(CCN2CCN(c3ccccc3-c3cccc(-c4ccc(Cl)cc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8024263
11614,COC1CCN(CCN2CCN(c3ccccc3-c3cn(C)c(-c4ccc(Br)cc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7192073
11615,COCCCN1CCN(Cc2cccc(Cc3ccc4oc(S)nc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55402434
11616,COCCOc1ccc(OC)c(CNC(=O)c2ccco2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.029763052
11617,COCCOc1ccc(OC)c(NC(=O)Cc2ccc3cccc(C)c3c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.007205237
11618,COCc1cccc2c1CN1CCc3cc(OCc4ccccc4)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7916338
11619,COOc1ccc(OCCCCCCc2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.09499753
11620,COc1cc2c(cc1-c1cccc3ccccc13)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69034576
11621,COc1cc2c(cc1C=Cc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7019424
11622,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc(OS(C)(=O)=O)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6630112
11623,COc1cc2cc(O)ccc2cc1Oc1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8515913
11624,COc1ccc(-c2cc(C(=O)NCCN3CCN(OC)CC3)ccc2OC)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.28213832
11625,COc1ccc(C(=O)c2ccc(C(=O)NCCN3CCN(OC)CC3)cc2OC)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29160267
11626,COc1ccc(OCCC(O)CCc2ccc3c(c2)NC(=O)CC3)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.17660542
11627,COc1ccc(OCCCCCCc2ccccc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.14920886
11628,COc1ccc(OCCNC(C)=O)cc1C1CCN(C(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.08218306
11629,COc1ccc(Oc2cc3c(cc2C)CCN2Cc4c(cccc4OC)CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72655004
11630,COc1ccc2c(-c3cccc4c3CN3CCc5cc(OC)c(O)cc5C3C4)cccc2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72102994
11631,COc1cccc2c1CN1CCc3cc(Cc4ccc(C#N)cc4)c(Oc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6640374
11632,COc1ccccc1-c1cc(C(=O)NCCN2CCN(F)CC2)ccc1N,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.39546782
11633,COc1ccccc1C1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80824274
11634,COc1ccccc1CN1CCN(CCOc2ccc(ONS(=O)(=O)C(F)(F)F)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.42088595
11635,COc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3ccc4ncccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76735103
11636,COc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccccc4)n[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80572313
11637,COc1ccccc1N1CCN(CCOc2ccc(OF)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8059054
11638,CSCCOc1ccc(ON2CCCC(Cc3ccc(F)cc3)C2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3374273
11639,Cc1cc(OCCCC(=O)c2ccc(F)cc2)ccc1ON1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23400664
11640,Cc1cc(OCCN2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5424696
11641,Cc1cc(OCCN2CCC(c3ccc(OS(C)(=O)=O)cc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6514951
11642,Cc1cc(OCCNC(=O)Cc2ccccc2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.017279685
11643,Cc1cc(OCCNS(C)(=O)=O)ccc1OCCCc1ccccc1OC1CCNC1,[*]CCOc1ccc(O[*])c([*])c1,0.26966766
11644,Cc1ccc(C(=O)NCCN2CCN(C)CC2)cc1C#Cc1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26028413
11645,Cc1ccc(OCC(=O)CCOc2ccc(ON3CCCCC3)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.087038636
11646,Cc1ccccc1N1CCN(CCN2CCC(c3csc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6425276
11647,Clc1ccccc1N1CCN(CCN2CCC(COCC#Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82774585
11648,FC(F)(F)OCCCN1CCN(Cc2cccc(-c3nc4ccccc4s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63430583
11649,FC(F)(F)c1ccccc1N1CCN(CCN2CCC(c3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.86297864
11650,Fc1cccc(CN2CCN(CCCCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7146932
11651,O=C(C=CCCCN1CCN(Cc2cccc(Cl)c2)CC1)N1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.40845054
11652,O=C(NCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)Nc1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34698853
11653,O=C(c1cc2ccccc2s1)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7412302
11654,O=C1Cc2ccccc2N1c1cccc(CN2CCN(CCCOC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7651464
11655,O=C1OC(CCCN2CCN(Cc3cccc(Cl)c3)CC2)Cc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67478657
11656,O=c1sc(-c2cccc(CN3CCN(CCCCl)CC3)c2)cc2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5787785
11657,Oc1cc(-c2cccc(CN3CCN(CCCC(F)(F)F)CC3)c2)c[nH]1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60552466
11658,Oc1cc2ccccc2n1C1CCN(CCN2CCN(c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5620008
11659,CC(=O)c1cc2c(cc1O)CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38180292
11660,CC(=O)c1ccc(CCNCc2cc(OCCOCC(C)C)ccc2ONS(C)(=O)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.03847854
11661,CC(=O)c1ccc(CNCCOc2ccc(ON(C)C)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07330537
11662,CC(=O)c1ccc2c(c1)CC(CCCOc1ccc(ON=S(C)(=O)O)c(C)c1)CC2=O,[*]CCOc1ccc(O[*])c([*])c1,0.16197823
11663,CC(O)c1ccccc1N1CCN(CCN2CCC(n3c(O)cc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5794058
11664,CCC(C)(O)c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7100142
11665,CCCCN1CCN(Cc2cccc(CNS(=O)(=O)c3cc4ccccc4s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4822917
11666,CCCOc1ccc(OC)c(S(=O)(=O)C2(C)CCC(Cc3ccc(F)cc3)NC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18364245
11667,CCCOc1ccc(ON2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c(OC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32443553
11668,CCCOc1ccc(ON2CCN(c3ccccc3OCC)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3779222
11669,CCCOc1ccc(ON=S(C)(=O)O)c(NCc2ccc(OC3CCCCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09759016
11670,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32049713
11671,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCC(c3cc(C)ccc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23501185
11672,CCCOc1ccc(OS(=O)(=O)N=O)c(N2CCCC(CCc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21020031
11673,CCCOc1ccc(OS(N)(=O)=O)c(CC(C)COc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31417444
11674,CCCOc1ccc(OS(N)(=O)=O)c(CCCc2ccccc2OC2CCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24651268
11675,CCOc1cc2c(cc1OC)C1Cc3cccc(OCc4ccc(OC)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7428509
11676,CCOc1ccccc1C(=O)C1CCN(CCOc2ccc(OC)c(CS(=O)(=O)O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5853935
11677,CCOc1ccccc1N1CCN(CCN2CCC(NC(=O)C=Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7356853
11678,CNC(=O)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52938604
11679,COC(=O)CCOc1ccc(OC)c(N2CCC(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23093708
11680,COC(=O)c1cc2c(cc1O)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.506538
11681,COC1CCN(CCN2CCN(c3ccccc3-c3cc(-c4ccccc4)cc(F)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7642184
11682,COC1CCN(CCN2CCN(c3ccccc3NC(=O)NCc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.45333526
11683,COC1CCN(CCN2CCN(c3ccccc3Oc3cccc(F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9240914
11684,COCCCN1CCN(Cc2cccc(-c3cc(-c4ccccc4)on3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5303088
11685,COCCCN1CCN(Cc2cccc(CN3C(=O)CCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5937814
11686,COCCOc1ccc(OC)c(CN2CCC(c3coc4cc(F)ccc34)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.58006805
11687,COCCOc1ccc(OC)c(N2CCN(c3ccccc3OCCF)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.42723584
11688,COCc1cc2c(cc1O)C1Cc3cccc(Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.700022
11689,COc1cc2c(cc1C(=O)OCc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40976146
11690,COc1cc2c(cc1CNCc1ccc(C#N)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6780952
11691,COc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1cccc(OC)c1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29744005
11692,COc1ccc(OCCC(N)=O)cc1N1CCC(c2ccc(C(C)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18974319
11693,COc1ccc(OCCCc2ccccc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.12439856
11694,COc1ccc(OCCF)cc1NS(=O)(=O)c1cccs1,[*]CCOc1ccc(O[*])c([*])c1,0.0750766
11695,COc1ccc(OCCF)cc1S(=O)(=O)c1cccc(Cl)c1,[*]CCOc1ccc(O[*])c([*])c1,0.084557
11696,COc1ccc(OCCN2CCCC(Oc3ccc(Cl)cc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.451801
11697,COc1ccc(OCCN2CCN(c3ccc(OCC(F)(F)F)cc3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.75631696
11698,COc1ccc(OCCN=S(C)(=O)O)cc1CCC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.26178578
11699,COc1ccc(OCCOS(C)(=O)=O)cc1N1CC2CCC1CC2,[*]CCOc1ccc(O[*])c([*])c1,0.16795447
11700,COc1ccc(OCCS(C)=O)cc1N1CCC(c2ccc(CC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31619868
11701,COc1cccc(-c2cc3c(cc2OC)CCN2Cc4c(cccc4OC)CC32)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7004624
11702,COc1cccc(CN2CCN(CCCCNC(=O)C3(C)CCc4ccccc4C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6133565
11703,COc1cccc(CN2CCN(CCCc3ccccc3OC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70887697
11704,COc1cccc2c1CN1CCc3cc(Cc4cccc(C#N)c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64315563
11705,COc1ccccc1N1CCN(CCN2CCC(COc3ccc4ccc(C(N)=O)cc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69804156
11706,CSOc1ccc(OCCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.923436
11707,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(c2ccc(OC3CCC(=O)NC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.16996628
11708,Cc1cc(OCCNS(C)(=O)=O)ccc1ONCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.13777152
11709,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cc4ccccn4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65732414
11710,FCCCN1CCN(Cc2cccc(-c3ccc(-c4ccccc4)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7231041
11711,Fc1ccccc1N1CCN(CCN2CCC(c3cncc(-c4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7470037
11712,N#CC=Nc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64244115
11713,NC(=O)c1ccc2cc(CCCN3CCN(Cc4cccc(F)c4)CC3)ccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58295214
11714,O=C(CCCCN1CCN(Cc2cccc(F)c2)CC1)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6611149
11715,O=C(NC1CCN(CCN2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1)c1ccncc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6029572
11716,OCCc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8168869
11717,CC1Oc2ccccc2N1C(=O)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53205186
11718,CCCCOc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71890193
11719,CCCOc1ccc(-c2cc(OCCF)ccc2ONS(C)(=O)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.08133852
11720,CCCOc1ccc(OCCN2CCN(c3ccccc3OC)CC2)c(NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6986671
11721,CCCOc1ccc(OCS(N)(=O)=O)c(N2CCC(Oc3ccccc3CC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2600874
11722,CCCOc1ccc(OOC)c(N2CCC(C(=O)c3ccccc3SC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17193803
11723,CCCOc1ccc(OS(=O)(=O)c2ccc(SC)cc2)c(C2CCCN(C)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2593158
11724,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(Oc3ccc(CC(F)(F)F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20632084
11725,CCCOc1ccc(OS(N)(=O)=O)c(NC(=O)Cc2ccc3c(c2)N(C)CCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10213458
11726,CCOc1cc2c(cc1O)CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5883396
11727,CCc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6804401
11728,CCc1ccccc1C1CCN(CCOc2ccc(OOS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.618653
11729,CCc1ccn(CCc2cc(OCCOC)ccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11768663
11730,CNC(C)Oc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72642916
11731,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4scnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84659404
11732,COCCCN1CCN(Cc2cccc(-c3ccc(NC(=O)Cc4ccccc4)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.2089237
11733,COCCCN1CCN(Cc2cccc(C3=C(Nc4ccccc4)CCCC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.44186702
11734,COOc1ccc(OCCNS(=O)(=O)c2cccc(C(C)C)c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.0684506
11735,COc1c(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)ccc2ccccc12,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7467156
11736,COc1cc2c(cc1CCO)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7680803
11737,COc1cc2c(cc1O)C1Cc3cccc(-c4cccc5cc(C#N)ccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66623056
11738,COc1cc2c(cc1O)C1Cc3cccc(CCc4ccc([N+](=O)[O-])cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5766252
11739,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)Nc4ccccc4C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.27909723
11740,COc1ccc(F)cc1SCCCCOc1ccc(OC)c(S(=O)(=O)N(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.097716235
11741,COc1ccc(OCCCC(=O)c2ccc(SC)cc2)cc1CN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.183556
11742,COc1ccc(OCCCCNC(=O)c2ccc(C=O)cc2)cc1NS(=O)(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.036699902
11743,COc1ccc(OCCN2CCC(CCF)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5737554
11744,COc1ccc(OCCN2CCC(c3cc(C)ccc3C)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.37724403
11745,COc1ccc(OCCN2CCC(c3ccccc3C(F)(F)F)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6409297
11746,COc1ccc(OCCNCCc2ccc(S(C)(=O)=O)c3ccccc23)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.21980295
11747,COc1cccc(Cc2cccc3c2CN2CCc4cc(OCc5ccccc5)c(C)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58518076
11748,COc1cccc2c1CN1CCc3cc(C=NOc4cccc(Cl)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58173615
11749,COc1ccccc1N1CCN(CCN2CCC(Cc3ccc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8326914
11750,COc1ccccc1N1CCN(CCN2CCC(NC(=O)NCc3ccc(C#N)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85805863
11751,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(-c4ccccc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8999718
11752,COc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccccc4)nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7871909
11753,COc1ccccc1N1CCN(CCN2CCC(c3ccc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82599247
11754,Cc1cc(OCCC(C)COc2ccc3c(c2)NC(=O)CC3)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.19746448
11755,Cc1cc(OCCCN2CCC(Oc3ccc4c(c3)NC(=O)CCC4)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.63851655
11756,Cc1cc(OCCN2CCNC2=O)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.19012608
11757,Cc1cc(OCCN=S(C)(=O)O)ccc1ONC(=O)Cc1ccc(C2CCN(C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.14986946
11758,Cc1cc(OCCNCc2cccs2)ccc1OC=O,[*]CCOc1ccc(O[*])c([*])c1,0.105384834
11759,Cc1cc(OCCOS(C)(=O)=O)ccc1OCCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.22076274
11760,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCC(c2ccccc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.26447293
11761,Cc1cc2c(cc1C(=O)O)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42087662
11762,Cc1cc2c(cc1O)C1Cc3cccc(C(=O)Nc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.25789008
11763,Cc1cccc(CN2CCN(CCCc3nc4ccccc4s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54183733
11764,ClC1CCN(CCN2CCN(c3ccccc3-c3cnc4cccccc3-4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6596599
11765,ClC1CCN(CCN2CCN(c3ccccc3CNc3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70928514
11766,ClCCCN1CCN(Cc2cccc(-c3ccc(-c4ccccc4)s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6737234
11767,FCCCN1CCN(Cc2cccc(CN=C3COc4ccccc4N3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6291205
11768,O=C(NCCN1CCN(Cl)CC1)c1ccc(O)c([N+](=O)[O-])c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26491022
11769,O=C(NCc1cccc(CN2CCN(CCCOc3ccccc3)CC2)c1)C1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.468944
11770,O=S(=O)(Nc1c(Cl)cccc1Cl)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56907743
11771,Oc1cc2c(cc1Cc1cccc(OC(F)(F)F)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6641402
11772,Oc1cc2c(cc1OCCc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7450469
11773,Oc1cccc2c1CN1CCc3cc(N4CCCC4O)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6563238
11774,Oc1nc2ccc(OC3CCN(CCN4CCN(c5ccccc5O)CC4)CC3)cc2[nH]1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7117803
11775,C=S(O)(O)=NOc1ccc(OCCN2CCC(Cc3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.57505256
11776,CC(=O)NOc1ccc(OCCN2CCC(Cc3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.4193722
11777,CC(C)(C)OC(=O)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43677244
11778,CC1CCN(CCCc2cc(OCCF)ccc2ONS(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.550058
11779,CCCC1CCC(c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)CC1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71013975
11780,CCCCN1CCN(Cc2cccc(N3c4ccccc4CCC3C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61486983
11781,CCCOc1ccc(ON2CCN(C)CC2)c(-c2ccc(CC(F)F)cn2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28872892
11782,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(c3ccccc3F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2152098
11783,CCCOc1ccc(OSC)c(N2CCC(c3cccc(C(F)(F)F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32454884
11784,CCCOc1ccc(OSC)c(NC(=O)c2ccc3c(c2)CC(CO)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1731449
11785,CCOc1ccccc1N1CCN(CCN2CCC(c3ccc(O)c(OC)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7625067
11786,CCc1cc2c(cc1-c1ccc(OC)cc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69912297
11787,CCc1ccccc1N1CCN(CCN2CCC(c3ccc(OC)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80464953
11788,COC(C)c1ccccc1N1CCN(CCN2CCC(c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7259503
11789,COC1CCN(CCN2CCN(c3ccccc3-c3nc(O)ccc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7296018
11790,COC1CCN(CCN2CCN(c3ccccc3S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.63473374
11791,COCCCN1CCN(Cc2cccc(-c3cc(O)cc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57609624
11792,COCCCN1CCN(Cc2cccc(CC(=O)N3Cc4ccccc4C3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4597675
11793,COCCOc1ccc(OC)c(-c2cccc(NC(C)=O)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.02250033
11794,CON1CCN(CCNC(=O)c2ccc(-c3ccccc3C#N)c(O)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.39535266
11795,COOc1ccc(OCCCN2CCC(c3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.77252555
11796,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccccc1O[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32235408
11797,COc1cc2c(cc1C(=O)OCc1ccccc1)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41265985
11798,COc1cc2c(cc1Cc1c(Cl)cccc1Cl)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7827649
11799,COc1cc2c(cc1Cc1ccc([N+](=O)[O-])cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5374245
11800,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3ccc(Cl)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6893654
11801,COc1ccc(Br)cc1C(=O)NCc1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66483635
11802,COc1ccc(COc2cccc3c2CN2CCc4cc(OC)c(CO)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59734094
11803,COc1ccc(OCCCS(=O)(=O)c2ccc(C(C)C)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.06406619
11804,COc1ccc(OCCN2CCC(C(=O)c3cccc(F)c3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5567671
11805,COc1ccc(OCCN2CCC(NC(C)=O)CC2)cc1NS(=O)(=O)c1ccc(Cl)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.45101133
11806,COc1ccc(OCCN2CCCC2=O)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6492836
11807,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(c2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2334244
11808,COc1ccc(OCCN=S(C)(=O)O)cc1NC(=O)Cc1ccc(OC2CCNC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.043354027
11809,COc1ccc(OCCNC(=O)CCc2ccc(F)cc2)cc1NS(=O)(=O)c1ccc(SC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.018360892
11810,COc1ccc(OCCNS(=O)(=O)O)cc1CC1OCCc2ccc(OCC3CCCCC3)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.18989252
11811,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24054131
11812,COc1cccc(CN2CCN(CCCC3Oc4ccccc4CC3C)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68696135
11813,COc1cccc(CN2CCN(CCCn3c(=O)c(=O)sc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4923086
11814,COc1cccc2cc(-c3cccc(CN4CCN(CCCF)CC4)c3)sc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.52724785
11815,COc1ccccc1-c1cc(C(=O)NCCN2CCN(O)CC2)ccc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.38084322
11816,COc1ccccc1CNC(=O)C1CCN(CCN2CCN(c3ccccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8531469
11817,COc1ccccc1N1CCN(CCN2CCC(c3cccc4nc(-c5cccnc5)ccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7796954
11818,COc1ccccc1N1CCN(CCN2CCC(n3cc(O)nc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7692477
11819,COc1ccccc1N1CCN(CCN2CCC(n3ccc(-c4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.86494714
11820,CS(=O)(=O)c1ccccc1N1CCN(CCN2CCC(n3c(O)nc4cccc(F)c43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7456144
11821,CSc1ccccc1N1CCN(CCN2CCC(c3nc4ccccc4s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7299159
11822,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCC4)S(=O)(=O)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5688873
11823,Cc1cc(OCCNS(=O)(=O)Cc2ccc(C(C)C)cc2)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.06180914
11824,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(c2ccc(OCCF)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25770637
11825,Cc1cccc(CN2CCN(CCCN3c4ccccc4C(=O)S3(=O)=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6253919
11826,Cc1sccc1-c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7356077
11827,FC(F)(F)c1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccccc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7616071
11828,FCCCN1CCN(Cc2cccc(C3OCOc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6983349
11829,FCCOCCCN1CCN(Cc2cccc(Cc3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6830376
11830,Fc1ccccc1N1CCN(CCN2CCC(c3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7038205
11831,O=[SH](O)=CC1Cc2ccccc2N1c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5610159
11832,OCc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79019403
11833,CC(=O)NC1CCN(CCOc2ccc(ON=S(C)(=O)O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5331214
11834,CC(=O)[N+](=O)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5063736
11835,CC1(C)Nc2ccccc2OC1CCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5865621
11836,CCCOc1ccc(OCNS(C)(=O)=O)c(N2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34464338
11837,CCCOc1ccc(ON2CCC(C(=O)c3ccc(F)cc3)CC2)c(CCF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24538271
11838,CCCOc1ccc(ON2CCCC(c3ccccc3)C2)c(C(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1743107
11839,CCCOc1ccc(ON2CCCN(c3ccccc3OCC)CC2)c(C(=O)OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18443546
11840,CCCOc1ccc(ON2CCN(c3ccccc3OCC)CC2)c(CC(=O)O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21277162
11841,CCCOc1ccc(OOC)c(CN2CCN(c3ccccc3C(C)=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5918939
11842,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)COc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0070373677
11843,CCOc1ccccc1N1CCN(CCN2CCC(c3ccc(C#N)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8338715
11844,CCc1ccc(-c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65906954
11845,COC(=O)C1CCN(CCN2CCN(c3ccccc3-c3cc(-c4ccccc4)ccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72267735
11846,COC1CCN(CCN2CCN(c3ccccc3-c3cc(-c4ccc(F)cc4)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.761554
11847,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)OC(C)(C)C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70024496
11848,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1OC(C)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.28725848
11849,COc1cc(F)ccc1S(=O)(=O)NCCOc1ccc(OS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08049687
11850,COc1cc2c(cc1O)CCN1Cc3c(cccc3C3(O)CCCCC3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7235238
11851,COc1cc2c(cc1O)CCN1Cc3c(cccc3NC(=O)OCc3ccc4ccccc4c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.30693406
11852,COc1cc2c(cc1OC)C1Cc3cccc(CNc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5722111
11853,COc1cc2c(cc1OC)C1Cc3cccc(S(=O)(=O)c4ccccc4C#N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7429522
11854,COc1cc2c(cc1OC1CCCC1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7059338
11855,COc1ccc(C(=O)NCCN2CCN([N+](=O)c3ccccc3)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.34739524
11856,COc1ccc(CNC(=O)Cc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.33720654
11857,COc1ccc(OCCCCCc2ccc3c(c2)NC(=O)CC3)cc1NC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09003006
11858,COc1ccc(OCCCCSc2ccccc2OC2CCCC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.15217398
11859,COc1ccc(OCCCNC(=O)c2cccc(C(C)=O)c2)cc1N(C)C=O,[*]CCOc1ccc(O[*])c([*])c1,0.033489004
11860,COc1ccc(OCCCS(=O)(=O)c2ccc(F)cc2)cc1N1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.30018315
11861,COc1ccc(OCCN2CCC(Oc3ccc(F)cc3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.60673577
11862,COc1ccc(OCCN2CCC(S(=O)(=O)c3ccccc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.6908366
11863,COc1ccc(OCCN2CCC(c3ccccc3C(F)(F)F)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.6566211
11864,COc1ccc(OCCN=CO)cc1N1CCN(c2ccccc2OCCF)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3297842
11865,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1N1CCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.14098221
11866,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1CN1CCCC(S(=O)(=O)c2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.15527245
11867,COc1ccc(OCCS(C)(=O)=O)cc1CCCc1ccc2c(c1)CC(OC)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.3643242
11868,COc1ccc(OCCSC)cc1N1CCC(c2ccccc2)C(NC(C)=O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.21925977
11869,COc1cccc(CN2CCN(CCCC(=O)N3COc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49556965
11870,COc1cccc(CN2CCN(CCCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7258864
11871,COc1cccc(CN2CCN(CCCc3ccc4ccc(=O)oc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5945579
11872,COc1cccc2c1CN1CCc3cc(C=O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6783467
11873,COc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7533614
11874,C[N+](C#N)=Cc1ccc(C(=O)Oc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49793798
11875,Cc1cc(OCCC=CCOc2ccc3c(c2)NC(=O)CC3)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.19464132
11876,Cc1cc(OCCF)ccc1OC(=O)NC1CCC(C(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.08468382
11877,Cc1cc(OCCN2CCC(COc3ccc4c(c3C)NC(=O)CC4)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.56448275
11878,Cc1cc(OCCN2CCC(Oc3ccc4c(c3)NC(=O)CC4)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6266746
11879,Cc1cc(OCCN2CCN(Cc3ccccc3)CC2)ccc1OF,[*]CCOc1ccc(O[*])c([*])c1,0.5051089
11880,Cc1cc(OCCNS(=O)(=O)c2ccc(F)cc2)ccc1OCN1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1909927
11881,Cc1cc(OCCNS(C)(=O)=O)ccc1ONS(=O)(=O)c1cccc(C(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0783809
11882,Cc1cc(OCCNS(C)(=O)=O)ccc1OSCCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.21341863
11883,Cc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.59910154
11884,FC(F)(F)c1cccc(CN2CCN(CCCc3ncc(-c4ccccc4)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5759828
11885,FCCCN1CCN(Cc2cccc(-c3cccs3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70304185
11886,N#Cc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69074845
11887,O=C1c2ccccc2NC(CCCCN2CCN(Cc3cccc(Cl)c3)CC2)N1c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5909862
11888,OCc1ccc(Cc2cccc3c2CN2CCc4cc(Cl)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6641033
11889,Oc1cnc2cc(Oc3ccccc3N3CCN(CCN4CCC(O)CC4)CC3)ccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7169545
11890,Oc1nc2cc(-c3cccc(CN4CCN(CCCF)CC4)c3)ccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70143545
11891,c1ccc(CCCN2CCN(Cc3cccc(-c4nc5ccccc5s4)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.675576
11892,C=S(O)(O)=Cc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63882893
11893,CC1Cc2ccccc2N1C(=O)CCCN1CCN(Cc2cccc(C#N)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7021101
11894,CCCOc1ccc(ON)c(N2CCN(CCc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6979148
11895,CCCOc1ccc(ON=S(C)(=O)O)c(NC(=O)Cc2ccc(OC3CCCCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.022055393
11896,CCCOc1ccc(OS(C)(=O)=O)c(CCCc2ccc(C3NCCCC3=O)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18116966
11897,CCCOc1ccc(OS(C)(=O)=O)c(CNCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12924047
11898,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Oc3ccc(C)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19349357
11899,CCCOc1ccc(OS(C)(=O)=O)c(N2CCN(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6864511
11900,CCCOc1ccc(OS(C)(=O)=O)c(NCc2ccccc2OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09972301
11901,CCCOc1ccc(OSC)c(CCSc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07000722
11902,CCCOc1ccc(OSC)c(N2CCC(COc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39947224
11903,CCCc1ccc(C(=O)Nc2cc(OCCF)ccc2ONC(C)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.03425778
11904,CCOc1ccccc1N1CCN(CCN2CCC(n3cnc(-c4ccc(Cl)cc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8177474
11905,COC1CCN(CCN2CCN(c3ccccc3-n3c(O)ccc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5820853
11906,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.46905166
11907,COC=Nc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5967139
11908,COCCCN1CCN(Cc2cccc(-c3ccc4c(c3)CCC(=O)N4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62351954
11909,COCCCN1CCN(Cc2cccc(N3CCCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5826299
11910,CONc1cccc2c1CN1CCc3cc(Cc4cccc(OC)c4)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43602517
11911,COc1cc2c(cc1O)C1Cc3cccc(O[N+](=O)c4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62677836
11912,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc(CO)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7039312
11913,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)NCc3ccc(CO)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52466327
11914,COc1cc2c(cc1OCc1ccc(N(C)C)cc1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63004065
11915,COc1ccc(C(=O)NCCN2CCN(c3c(OC)cccc3OC)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.6512205
11916,COc1ccc(OCCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.937557
11917,COc1ccc(OCCN2CCC(Oc3ccc(C)cc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.48152867
11918,COc1ccc(OCCN2CCC(c3ccc(F)cc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6061297
11919,COc1ccc(OCCNC(=O)c2ccc(SC)cc2)cc1N(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.02725763
11920,COc1ccc(OCCNC(=O)c2cccc(C)c2)cc1CN1CCCC(C)C1,[*]CCOc1ccc(O[*])c([*])c1,0.18017353
11921,COc1ccc(OCCNC(C)=O)cc1CCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.056543246
11922,COc1ccc(OCCNS(=O)(=O)c2cccs2)cc1CNCC1CCOCC1,[*]CCOc1ccc(O[*])c([*])c1,0.08214678
11923,COc1ccc(OCCNS(C)(=O)=O)cc1NCCc1ccc2c(c1)CCC(=O)N2,[*]CCOc1ccc(O[*])c([*])c1,0.13714807
11924,COc1cccc(CN2CCN(CCCC3NC(=O)c4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.524119
11925,COc1cccc(CN2CCN(CCCCc3ccc(=O)oc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69684696
11926,COc1cccc(CN2CCN(CCCCc3ccc(Cl)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.74531555
11927,COc1cccc2c1CCCC(=O)N2c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56429607
11928,COc1cccc2c1CN1CCc3cc(C(=O)OCc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36316714
11929,COc1ccccc1N1CCN(CCN2CCC(N(C)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9187868
11930,COc1ccccc1N1CCN(CCN2CCC(c3cnc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87822855
11931,COc1ccccc1N1CCN(CCN2CCC(n3ccc(-c4cccnc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80045354
11932,COc1ccccc1NCc1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4616589
11933,CSOc1ccc(OCCN2CCC(Cc3ccccc3)(C(=O)O)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.36182323
11934,Cc1cc(OCCN2CC=C(c3ccccc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.41184488
11935,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(Cc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28792208
11936,Cc1cc(OCCNC(=O)COc2ccccc2C2CCCNC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.03757714
11937,Cc1cc(OCCNCc2ccccc2)ccc1ON=S(=O)(O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.20456783
11938,Cc1cc(OCCc2ccc(OCCF)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.058516085
11939,Cc1cccc2c1CN1CCc3cc(C=O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57578087
11940,Cc1ccccc1N1CCN(CCN2CCC(c3c[nH]c4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69521433
11941,ClC1CCN(CCN2CCN(c3ccccc3Nc3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.544458
11942,FC(F)(F)c1ccccc1N1CCN(CCN2CCC(c3cnc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7525092
11943,FCCCN1CCN(Cc2cccc(-c3ccc(-c4ccccc4)o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6190524
11944,FCCOC1CCN(CCN2CCN(c3ccccc3COc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7334662
11945,Fc1ccccc1N1CCN(CCN2CCC(Cc3cc4ccccc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70330465
11946,NC(=O)Nc1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34663862
11947,NC(=O)c1cccc2c(-c3cccc(CN4CCN(CCCC(F)(F)F)CC4)c3)cccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3611946
11948,O=C(NCCCN1CCN(Cc2cccc(F)c2)CC1)C1CCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4456449
11949,Oc1cccc(C2CCN(CCN3CCN(c4ccccc4F)CC3)CC2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6967911
11950,Oc1cccc2c1CN1CCc3cc(-c4cc5ccccc5s4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.665827
11951,c1ccc(CCCN2CCN(Cc3cccc(-c4ccccc4)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7390251
11952,CC1CCN(CCN2CCN(c3ccccc3-c3ccc(O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7506351
11953,CC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccc(O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65783995
11954,CC1CCN(CCN2CCN(c3ccccc3CCc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75485086
11955,CC1CCN(CCN2CCN(c3ccccc3Oc3ccc4nc(O)ccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7541413
11956,CCCN1CCC(c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)CC1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7554968
11957,CCCOc1ccc(OCO)c(N2CCCN(c3ccccc3Cl)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24129973
11958,CCCOc1ccc(OOC)c(CNC(=O)c2ccc(CCCF)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.026099449
11959,CCCOc1ccc(OS(C)(=O)=O)c(CCOc2ccc(C(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08043256
11960,CCCc1ccc(N2CCN(c3cc(OCCOC)ccc3OC)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.33943754
11961,CCNCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6519315
11962,COC(=O)Nc1cccc(-c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3423778
11963,COC(=O)Oc1ccc(OCCC(=O)Cc2ccc(SC)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.012055823
11964,COC1CCN(CCN2CCN(c3ccccc3-c3cc(-c4ccc(Cl)cc4)on3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67887264
11965,COC1CCN(CCN2CCN(c3ccccc3Cc3ccc(N4CCOC4=O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70308733
11966,COCCCN1CCN(Cc2cccc(N=S(=O)(c3ccccc3)c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5647807
11967,COOc1ccc(OCCCCSc2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.08865983
11968,COc1cc(C(=O)NCCN2CCN(O)CC2)ccc1-c1cccc(C)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.22019063
11969,COc1cc(C(=O)NCCN2CCN([N+](=O)[O-])CC2)ccc1-c1ccccc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.28024074
11970,COc1cc2c(cc1O)C1Cc3cccc(C(=O)OCc4ccncc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53784984
11971,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(C[N+](=O)O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6488955
11972,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(CO)c(Cl)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5887991
11973,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(N(C)C)c4ccccc34)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5921256
11974,COc1cc2c(cc1OCCc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6747115
11975,COc1ccc(OCCC(F)CCc2ccc3c(c2)CC(=O)CC3)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16986267
11976,COc1ccc(OCCC(N)=O)cc1CCOCC1CCCN1CCF,[*]CCOc1ccc(O[*])c([*])c1,0.27727756
11977,COc1ccc(OCCCN2CCC(c3ccccc3)CC2)cc1S(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.60095215
11978,COc1ccc(OCCF)cc1CNC(=O)c1cccc(C(=O)N2CCNCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08561941
11979,COc1ccc(OCCN)cc1N1CCN(c2ccccc2C(C)C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.33390483
11980,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC(C)(O)C4)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5144515
11981,COc1ccc(OCCN2CCN(c3cccc(Cl)c3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.80548584
11982,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1N1CCOCC1,[*]CCOc1ccc(O[*])c([*])c1,0.10478624
11983,COc1ccc(OCCNC(C)=O)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.034096744
11984,COc1ccc(OCCNS(=O)(=O)c2ccccc2F)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6270758
11985,COc1ccc(OCCNS(=O)(=O)c2ccccc2OCC(F)(F)F)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.104703076
11986,COc1ccc(OCCS(C)(=O)=O)cc1-c1c(OCC2CCCC2)ccc2c1NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.24380067
11987,COc1ccc(OCCS(C)(=O)=O)cc1C(=O)CCc1ccc(C)o1,[*]CCOc1ccc(O[*])c([*])c1,0.026715392
11988,COc1ccc2c(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)coc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7572011
11989,COc1cccc(CN2CCN(CCCCC(=O)N3CCC3c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5983044
11990,COc1ccccc1-c1cc(C(=O)NCCN2CCN(O)CC2)ccc1F,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.36823213
11991,COc1ccccc1-c1cccc(CN2CCN(CCCO)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57393086
11992,CS(=O)(=O)CCCN1CCN(Cc2cccc(-c3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.615546
11993,CS(=O)(=O)NOc1ccc(OCCF)cc1N1CCC(Cc2ccc(OC3CCC(=O)N3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2762189
11994,CS(=O)(=O)c1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7374849
11995,CSOc1ccc(OCCCN2CCC(Oc3ccc(C)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.53866935
11996,CSc1ccccc1N1CCN(CCN2CCC(n3c(O)nc4cc(F)ccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7483099
11997,Cc1cc(OCCC(C)COc2ccc(F)cc2)ccc1OCS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.097734645
11998,Cc1cc(OCCN2CCC(c3ccc(Cl)cc3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.73440725
11999,Cc1cc(OCCN=S(C)(=O)O)ccc1OC(=O)COc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.11386946
12000,Cc1cc(OCCOS(C)(=O)=O)ccc1ONC1CCN(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.40227127
12001,ClCCCN1CCN(Cc2cccc(-c3cc(-c4cccs4)no3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5888749
12002,O=C(CO)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5046007
12003,O=C(NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)c1cccs1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8699965
12004,O=C(NCCCCN1CCN(Cc2cccc(Cl)c2)CC1)c1ccccc1NC1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.40760276
12005,O=S(=O)(CCCN1CCN(Cc2cccc(F)c2)CC1)C1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63610286
12006,Oc1cc2c(cc1-c1cccs1)CCN1Cc3c(F)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73802626
12007,Oc1cc2c(cc1Cc1ccccc1Cl)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7466589
12008,Oc1cc2c(cc1Cc1ccsc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8268076
12009,Oc1cc2ccccc2n1CCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7951671
12010,C=Nc1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61748266
12011,CC1(C)c2ccccc2CN1C(=O)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5811819
12012,CCCOc1ccc(OF)c(N2CCCC(COc3ccccc3F)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31183997
12013,CCCOc1ccc(ON2CCN(C(C)=O)CC2)c(NCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09220131
12014,CCCOc1ccc(ONC)c(C2CCC(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24325956
12015,CCCOc1ccc(ONS(C)(=O)=O)c(NCC=Cc2cccc3c2C(=O)CCC3C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22458678
12016,CCCOc1ccc(OOC)c(N2CCN(C(c3ccccc3)C(C)F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32002363
12017,CCCOc1ccc(OS(C)(=O)=O)c(N2C=CC(F)=CC=C3CCC3CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35123608
12018,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)CCc2ccc3ccccc3c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0067666904
12019,CCCc1ccc(C(=O)NCCCOc2ccc(OC)c(SC)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.059929155
12020,CN(C)c1cccc(CN2CCN(CCCCN3CCc4ccccc4C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.8199333
12021,CN1CCN(CCNC(=O)c2ccc(F)c(-c3ccccc3[N+](=O)[O-])c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31349024
12022,COC1CCN(CCN2CCN(c3ccccc3-n3c(O)cc4ncccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7729185
12023,COC1CCN(CCN2CCN(c3ccccc3Cc3cccc4nc(O)ccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6865749
12024,COCCCN1CCN(Cc2cccc(CN=C3COc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6121048
12025,COCCOc1ccc(OC)c(C=Cc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20103112
12026,COCCOc1ccc(ON2CCCN(c3ccccc3OC(F)(F)F)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3085119
12027,CONCc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6460923
12028,COOc1ccc(OCCCCOc2ccc3c(c2)NC(=O)CCC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.2572034
12029,COc1cc2c(cc1C1CCCCC1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62406087
12030,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(CN)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76866555
12031,COc1ccc(CNCc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6739929
12032,COc1ccc(COc2cccc3c2CN2CCc4cc(Cc5ccc(C#N)cc5)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65066385
12033,COc1ccc(OCCC(C)=O)cc1N1CCC(Cc2ccc3c(c2)NC(=O)CCC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2823287
12034,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCCC4)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.55978006
12035,COc1ccc(OCCN2CCC(Cc3cccc(S(C)(=O)=O)c3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.6437588
12036,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1CN1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.12051847
12037,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1CN1CCC(S(=O)(=O)O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2743
12038,COc1ccc(OCCNCCc2ccc(F)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.14372338
12039,COc1ccc(OCCNCc2ccccc2)cc1OS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.27918568
12040,COc1ccc(OCCS(=N)(=O)O)cc1N1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2292213
12041,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Cc2ccc3c(c2)CC(=O)NC(=O)C3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.33658275
12042,COc1ccc(OCCS(N)(=O)=O)cc1NCC1CCCc2c(cccc2OC)C1,[*]CCOc1ccc(O[*])c([*])c1,0.38341618
12043,COc1ccc2ccc(CC3CCN(CCOc4ccc(OO)c(C)c4)CC3)cc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.44800973
12044,COc1cccc(CN2CCN(CCCc3ccc(C=Cc4ccccc4)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7022737
12045,COc1cccc2c1CN1CCc3cc(Cc4ccc(OC)c5ccccc45)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7263844
12046,COc1ccccc1-c1cc(C(=O)NCCN2CCN(C)CC2)ccc1S(=O)(=O)O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.34274107
12047,COc1ccccc1-c1cc(C(=O)NCCN2CCN([N+](=O)[O-])CC2)ccc1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2753802
12048,COc1ccccc1CCC1CCN(CCOc2ccc(ONS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6277034
12049,COc1ccccc1COc1cccc2c1CN1CCc3cc(OCc4ccccc4)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75562227
12050,COc1ccccc1N1CCN(CCCOc2ccc(O[N+](=O)[O-])c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8303619
12051,COc1ccccc1N1CCN(CCN2CCC(Cc3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8974035
12052,CSOc1ccc(OCCN2CCC(COc3ccc4c(c3)NC(=O)CC4)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.58727324
12053,CSOc1ccc(OCCNC(=O)c2cccc(C3CCCN3)c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.04107988
12054,Cc1cc(OCCNCCc2cccnc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.135998
12055,ClC1CCN(CCN2CCN(c3ccccc3-c3cnn4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72202206
12056,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)N1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.35737097
12057,O=C(c1cccc(CN2CCN(CCCCl)CC2)c1)C1CCc2ccccc2C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58988166
12058,O=C1CCc2ccc(OCCCCN3CCN(Cc4cccc(F)c4)CC3)cc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.741908
12059,O=C1c2ccccc2OC1c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59510505
12060,O=S(=O)(NCCCN1CCN(Cc2cccc(Cl)c2)CC1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5086677
12061,OC=Cc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69301134
12062,Oc1cc2c(cc1CCc1cccs1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7707725
12063,Oc1cccc(C2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78782207
12064,c1ccc(COCCCN2CCN(Cc3cccc(-c4cc5ccccc5o4)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68860984
12065,CC(=O)Oc1ccccc1NC1CCN(CCOc2ccc(ONS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3813286
12066,CC(=O)c1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1ccccc1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35148862
12067,CCCOCCOc1ccc(OC)c(NC(=O)CSc2ccc(C(N)=O)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0060603917
12068,CCCOc1ccc(OC(C)Cc2ccccc2)c(N2CCCC(Oc3ccccc3C=O)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23057899
12069,CCCOc1ccc(OC)c(CNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29034746
12070,CCCOc1ccc(OS(C)(=O)=O)c(N2CCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3437089
12071,CCCOc1ccc(Oc2ccc(F)cc2)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8201426
12072,CCCc1ccc(OC2CCN(c3cc(OCCS(C)(=O)=O)ccc3OC)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.29898834
12073,CCOCCCN1CCN(Cc2cccc(CNC(=O)C3CCCCCC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.35425296
12074,CCc1ccc(C(=O)NCCOc2ccc(OC)c(S(C)(=O)=O)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.021876913
12075,CNC(=O)CCOc1ccc(OC)c(N2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1614466
12076,COC1CCN(CCN2CCN(c3ccccc3-c3cc(O)ncc3-c3ccc(O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65654653
12077,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71284884
12078,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3cc4ccccc4nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6679867
12079,COCCCN1CCN(Cc2cccc(C3c4ccccc4C(=O)N3C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55283165
12080,COCCOc1ccc(OC)c(N2CCN(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33807695
12081,COCCOc1ccc(OCC(=O)Nc2ccccc2OC)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0041174865
12082,CON1CCN(CCNC(=O)c2ccc(O)c(-c3cccc(C)c3[N+](=O)[O-])c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.21669471
12083,COOc1ccc(OCCN2CCCC(Cc3ccc(F)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.47759128
12084,COc1cc2c(cc1C=O)CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.649237
12085,COc1cc2c(cc1O)CCN1Cc3c(cccc3N3CCC(O)C3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6761887
12086,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc(CNC(C)(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5497839
12087,COc1ccc(OCCC(=O)CCc2ccc(F)cc2)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.04309791
12088,COc1ccc(OCCC2CCC(NCc3ccccc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16824505
12089,COc1ccc(OCCC=Cc2ccc(F)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.06751758
12090,COc1ccc(OCCN2CCC(Cc3ccc4ccccc4n3)CC2)cc1S(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.48847285
12091,COc1ccc(OCCN=S(C)(=O)O)cc1CCC(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.047261037
12092,COc1ccc(OCCN=S(C)(=O)O)cc1N1C(=O)CCc2ccc(CCC3CCCCC3)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.19106986
12093,COc1ccc(OCCNCCc2ccc(OC3CCCCC3)cc2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.18068933
12094,COc1ccc(OCCS(C)(=O)=O)cc1CNc1ccccc1OC(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.060858183
12095,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(c2ccc(OC(C)C)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29096058
12096,COc1ccc(OCCSC)cc1NC(=O)COc1ccc(CCF)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.019630369
12097,COc1ccc2cc(CC3CCN(CCOc4ccc(OC)c(Br)c4)CC3)ccc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.5520762
12098,COc1ccc2cccc(-c3cc4c(cc3OC)C3Cc5cccc(O)c5CN3CC4)c2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7418303
12099,COc1cccc(CN2CCN(CCCc3ccc(C)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5432598
12100,COc1cccc(COc2ccccc2-c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5376839
12101,COc1cccc(NC(=O)c2cc3c(cc2OC)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38371718
12102,COc1cccc2c1CN1CCc3cc(O)c(NC(=O)c4cccc5ccccc45)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40128738
12103,COc1cccc2c1CN1CCc3cc(OCc4cccnc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62844443
12104,COc1ccccc1N1CCN(CCN2CCC(CNCc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.859293
12105,COc1ccccc1N1CCN(CCN2CCC(c3cnc4ccc(C)cn34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6580151
12106,COc1ccn(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8178042
12107,CSOc1ccc(OCCNC2CCC(NC(=O)c3ccc(SC)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.059870183
12108,CSOc1ccc(OCCNCc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.3241348
12109,CSc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69754356
12110,Cc1cc(OCCN=S(C)(=O)O)ccc1ONC1CCN(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.33852723
12111,Cc1cc(OCCNC(=O)c2cc3ccccc3s2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.029375892
12112,Cc1cc(OCCNC(=O)c2ccc(F)c(Cl)c2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.01268633
12113,Cc1cccc(CN2CCN(CCCC3NCS(=O)(=O)N3c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48864183
12114,ClC1CCN(CCN2CCN(c3ccccc3Oc3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82061625
12115,Fc1cccc(CN2CCN(CCCC3=C=C=CC(C=Cc4ccccc4)=C3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69908565
12116,O=C(Nc1cccc(CN2CCN(CCCOC(F)(F)F)CC2)c1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.38262653
12117,O=C1CSc2ccccc2N1c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.73012424
12118,O=S(=O)(Nc1cccc(CN2CCN(CCCCl)CC2)c1)c1cccs1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49640027
12119,O=c1c2ccccc2n(CCCN2CCN(Cc3cccc(F)c3)CC2)c(=O)n1-c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58583736
12120,C=S(O)(O)=NOc1ccc(OCCNCc2ccc(OC3CCNCC3)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.22406021
12121,CC(=O)Cc1ccc2c(c1)C(CNCCOc1ccc(ONS(C)(=O)=O)c(C)c1)C(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.1094418
12122,CC(=O)c1ccc(C(=O)C2CCN(CCc3cc(OCCF)ccc3ON=S(C)(=O)O)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.57694566
12123,CCC=Cc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8217701
12124,CCCOc1ccc(OC(N)=O)c(N2CCCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15760742
12125,CCCOc1ccc(OC)c(NS(=O)(=O)C2CCCN(Cc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35696402
12126,CCCOc1ccc(OCF)c(CCN2CCN(c3ccc(OC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8294534
12127,CCCOc1ccc(OCl)c(NC(=O)CCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0065219305
12128,CCCOc1ccc(OF)c(COCCN2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.74570316
12129,CCCOc1ccc(ON2CCCC(Cc3ccc(OC4CCCC4)cc3)C2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33113903
12130,CCCOc1ccc(ON2CCN(c3ccccc3C(C)C)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32207528
12131,CCCOc1ccc(ON=S(C)(=O)O)c(CNc2ccccc2OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04347713
12132,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(Oc3ccc4c(c3)NC(=O)CCC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.48872697
12133,CCCOc1ccc(OOC)c(N2CCN(c3ccccc3CCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36935776
12134,CCCOc1ccc(OS(C)(=O)=O)c(CC2CCc3ccc(OCC(F)(F)F)cc3CC2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34686223
12135,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)COc2ccc(C3CCCN3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.028745625
12136,CCCOc1ccc(OS(C)(=O)=O)c(NCCc2ccccn2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06081896
12137,CCCOc1ccc(OS(N)(=O)=O)c(OC(=O)CCc2ccc3ccccc3c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05495486
12138,CCOc1ccccc1C(=O)CCOc1ccc(OC)c(N=S(C)(=O)O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.026174206
12139,CCOc1ccccc1C(=O)NCCOc1ccc(ON=S(C)(=O)O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0096999165
12140,CNC(=O)Oc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4648812
12141,CNCCOc1ccc(OC)c(N2CCC(C(=O)c3ccc(C(C)=O)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1968129
12142,CNCCOc1ccc(OC)c(NC(=O)c2ccc(CCCF)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.042986676
12143,COCCCN1CCN(Cc2cccc(-n3cccn3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.52433664
12144,COCCOc1ccc(OC)c(CN2CCN(c3ccccn3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7315277
12145,CONC(=O)c1cccc(-c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3197834
12146,COOc1ccc(OCCCN2CCC(Oc3ccc4ccc(C=O)cc4c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.52252233
12147,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccc2c(c1)OCO2,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.21560636
12148,COc1cc(C(C)C)ccc1SC(=O)NOc1ccc(OCCCF)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.049294896
12149,COc1cc2c(cc1Cc1ccc(O)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69354194
12150,COc1cc2c(cc1Cc1ccccc1)C1Cc3cccc(CO)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54582494
12151,COc1cc2c(cc1O)CCN1Cc3c(Cc4cccc5[nH]c(C)cc45)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6449877
12152,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1S(=O)(=O)c1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27050015
12153,COc1ccc(CCCCN2CCN(Cc3cccc(OC)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69014245
12154,COc1ccc(OCCCF)cc1CN1CCN(c2ccccc2C(C)=O)C(=O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.26066846
12155,COc1ccc(OCCF)cc1S(=O)(=O)N1C(=O)CCc2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.14597797
12156,COc1ccc(OCCNC(=O)c2cccc(C(C)=O)c2)cc1CN(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.01841333
12157,COc1ccc(OCCNCc2ccccc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.36102703
12158,COc1ccc(OCCS(C)(=O)=O)cc1-c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07993067
12159,COc1ccc(OCCS(C)(=O)=O)cc1CCCc1ccc(C2CCNC(=O)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.14405063
12160,COc1ccc2c(-c3cc(C(=O)NCCN4CCN(F)CC4)ccc3F)cccc2c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32148394
12161,COc1cccc(C(=O)NC2CCN(CCN3CCN(c4ccccc4F)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66339356
12162,COc1cccc(C(=O)c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5546474
12163,COc1cccc(CN2CCN(CCCc3nc(C)c(-c4ccccc4)s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.553387
12164,CSOc1ccc(OCCN2CCC(O)(c3ccc(C)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.49354246
12165,CSOc1ccc(OCCNC(=O)COc2cccc(F)c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.021338468
12166,CSc1ccccc1OCCCCOc1ccc(ONS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08927214
12167,Cc1cc(OCCCCSc2ccc(CCF)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07097846
12168,Cc1cc(OCCN2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)ccc1OC(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.54181087
12169,Cc1cc(OCCN2CCN(c3ccc(Cl)cc3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.7716126
12170,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(Cc2ccc3c(c2)C(=O)NCC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28436357
12171,Cc1cc(OCCNCCCc2cccs2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.17272277
12172,Cc1cc(OCCNCCc2ccco2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.09786458
12173,Cc1ccccc1OCC(=O)CCOc1ccc(ONS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.031260505
12174,Fc1ccc(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87877095
12175,O=C(NCc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1)C1c2ccccc2-c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5497216
12176,O=[N+]([O-])Cc1ccc(-c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.477337
12177,Oc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7668849
12178,Oc1cccc(CN2CCN(CCCc3ccc4ccccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7147699
12179,CC(=O)Cc1ccc2c(c1)C(CNCCOc1ccc(ON)c(C)c1)C(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.110118866
12180,CC(=O)N(C)Cc1cccc2c1CN1CCc3cc(O)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53652483
12181,CC(C)(C)OC(=O)CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46051034
12182,CC(C)C1CCN(CCN2CCN(c3ccccc3-c3ccc(O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7971307
12183,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3ncc[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76687896
12184,CCCNC(=O)Nc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32156563
12185,CCCOc1ccc(OC(=O)NC)c(N2CCC(C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.137101
12186,CCCOc1ccc(ONC(=O)COc2ccccc2C)c(N(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.02634749
12187,CCCOc1ccc(OOC)c(CN2CCCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7878942
12188,CCCOc1ccc(OS(C)(=O)=O)c(NC2CCC(Oc3ccc(CC4CCCC4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.112163685
12189,CCOc1ccccc1C1CCN(CCCOc2ccc(OC)c(NS(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.61477983
12190,CCc1ccccc1OC1CCN(CCOc2ccc(OO)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4835074
12191,CN1C=CC=Cc2cccc(-c3cc4c(cc3O)C3Cc5cccc(O)c5CN3CC4)c21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.561953
12192,CNOc1ccc(OCCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.04118096
12193,CNc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60500556
12194,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(Cl)c(O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.819452
12195,COC1CCN(CCN2CCN(c3ccccc3C(O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72005653
12196,COC1CCN(CCN2CCN(c3ccccc3N3C(=O)CC4(CCCC4)CC3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7767161
12197,CON=CCCN1CCN(Cc2cccc(OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6054521
12198,COc1cc(OCCF)ccc1OCN1CCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.63996595
12199,COc1cc2c(cc1O)C1Cc3cccc(OC(=O)Nc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34458664
12200,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(CO)cc4CO)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60022694
12201,COc1cc2c(cc1OC)CC(CNOc1ccc(OCCNS(C)(=O)=O)cc1C)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.3066014
12202,COc1ccc(OCCC2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.14358616
12203,COc1ccc(OCCCN2CCc3cccc4c3CCC(C(F)(F)F)CC2C(=O)N4)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.491409
12204,COc1ccc(OCCCOC2CCCCC2)cc1NC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07562391
12205,COc1ccc(OCCF)cc1NC(=O)Cc1cccc(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.020394789
12206,COc1ccc(OCCN2CCC(C(=O)c3ccc(F)cc3F)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5330239
12207,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1C(=O)Nc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.021154145
12208,COc1ccc(OCCNCC2CCC(c3ccccc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09209158
12209,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(c2ccc(OC3CCCC3=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22001073
12210,COc1ccc(OCCS(C)(=O)=O)cc1SCCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.24798279
12211,COc1cccc(C(=O)c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7518779
12212,COc1cccc(CN2CCN(CCCCC(=O)NCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3532989
12213,COc1ccccc1N1CCN(CCCN2CCN(Cc3cccc(F)c3)CC2)C1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55371886
12214,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3cccc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.848693
12215,COc1ccccc1N1CCN(CCN2CCC(c3nnc(-c4ccccc4)s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83996725
12216,COc1ccccc1N1CCN(c2cc(OCCC(=O)N(C)C)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1702437
12217,Cc1cc(OCCC(=O)COc2ccc3c(c2)NC(=O)CC3)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.14902003
12218,Cc1cc(OCCCC(=O)Cc2ccc3c(c2)NC(=O)CC3=O)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06874874
12219,Cc1cc(OCCN2CCCC(CCc3cccs3)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.35671353
12220,Cc1cc(OCCNS(=O)(=O)Cc2ccc(C(C)C)cc2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.056421466
12221,Cc1cc(OCCNS(=O)(=O)O)ccc1ON1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1573819
12222,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCC(c2ccc(OCC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19980335
12223,Cc1cc(OCCS(C)(=O)=O)ccc1OSCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.10060407
12224,Cc1cc(OCCc2nc3ccccc3n2Cc2ccc(F)cc2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.100910656
12225,Cc1ccc(OC2CCCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.3144922
12226,O=C(c1cccc(-c2cccc(CN3CCN(CCCCl)CC3)c2)c1)N1CCCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55886656
12227,O=C1C=CC(CCCN2CCN(Cc3cccc(Cl)c3)CC2)N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6508643
12228,O=Cc1ccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57296586
12229,O=c1ccn(Cc2cccc(CN3CCN(CCCF)CC3)c2)o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7191068
12230,OCc1cccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6447643
12231,Oc1c2ccccc2cn1C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8285755
12232,Oc1cc2c(cc1-c1ccc(OCc3ccccc3)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7384686
12233,Oc1cc2c(cc1-c1ccc3ccccc3c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7255865
12234,Oc1cc2ccccc2cc1-c1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67544574
12235,CC(C)(C)OC(=O)NCCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62500393
12236,CC1c2ccccc2C(=O)N1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58868
12237,CCCOc1ccc(OCN2CCC(Oc3ccc(F)cc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.58891565
12238,CCCOc1ccc(OCN2CCN(c3ccccc3OC)CC2)c(-c2cccc(CF)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7805366
12239,CCCOc1ccc(ON)c(N2CCCN(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2750614
12240,CCCOc1ccc(ON2CCCN(c3ccccc3OCC)CC2)c(OCCO)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33067426
12241,CCCOc1ccc(ON2CCN(c3ccc(Cl)cc3)CC2)c(OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3390315
12242,CCCOc1ccc(ON2CCN(c3ccccc3OCC)CC2)c(C(=O)OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22214206
12243,CCCOc1ccc(ONC(=O)c2coc3ccccc23)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.035670184
12244,CCCOc1ccc(ONCCc2ccccc2)c(NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12812556
12245,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(Cc3ccc4ccoc4c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19983995
12246,CCNC(=O)Nc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.2889252
12247,CCOc1cc2c(cc1OC)C1Cc3cccc(C=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65536046
12248,CCOc1ccccc1N1CCCN(c2cc(OCCC=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.26931253
12249,CCOc1ccccc1NCCOc1ccc(OS(N)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04283024
12250,CN(C(=O)NCc1cccc(CN2CCN(CCCCl)CC2)c1)C1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5023404
12251,COC1CCN(CCN2CCN(c3ccccc3-c3nc(O)ccc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6902024
12252,COCCOc1ccc(OC=CCOc2ccc3c(c2)NC(=O)CC3)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21929583
12253,COCCOc1ccc(OCN2CCN(c3ccccn3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.45320976
12254,COCCOc1ccc(ONC2CCN(c3ccccc3OC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37602118
12255,COc1cc(C2CCN(Oc3ccc(OCCF)cc3C)CC2)ccc1NC(=O)[O-],[*]CCOc1ccc(O[*])c([*])c1,0.088727556
12256,COc1cc2c(cc1C(O)c1ccc3[nH]ccc3c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6344843
12257,COc1cc2c(cc1NC(=O)OCc1ccc(C)cc1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.27509236
12258,COc1cc2c(cc1NC(=O)c1ccc3ccccc3c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3875133
12259,COc1cc2c(cc1O)CCN1Cc3c(CON)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8151725
12260,COc1cc2c(cc1OC)C1Cc3cccc(COc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7694032
12261,COc1ccc(-c2cc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)ccn2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77489775
12262,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccc([N+][O-])cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.19043037
12263,COc1ccc(OCCCCNC(=O)c2cccc(C3CCCCN3)c2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.087350726
12264,COc1ccc(OCCCCNC(=O)c2ccccc2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.062105395
12265,COc1ccc(OCCCN2CCC(Cc3ccc(F)cc3)CC2)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.56195325
12266,COc1ccc(OCCCNC(C)=O)cc1NC(=O)Cc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.063128546
12267,COc1ccc(OCCCS(C)(=O)=O)cc1N1CCC(Oc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.32189497
12268,COc1ccc(OCCN2CCC(C3CCc4ccccc4C3=O)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6682834
12269,COc1ccc(OCCN2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)cc1C(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6343046
12270,COc1ccc(OCCNC(C)=O)cc1N1C(=O)CCc2ccc(CC3CCC3)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.10920068
12271,COc1ccc(OCCS(C)(=O)=O)cc1CCNC(=O)Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.013052771
12272,COc1ccc(OCCS(C)(=O)=O)cc1CN1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5426253
12273,COc1ccc(OCCS(N)(=O)=O)cc1N1CCC(Cc2ccc3c(c2)NC(=O)CC(C)C3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3073808
12274,COc1cccc(CN2CCN(CCCCNC(=O)C3(C)CC4=CC(=O)N4C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.44872776
12275,COc1cccc(CN2CCN(CCCc3cc(-c4ccco4)co3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5150981
12276,COc1cccc(NC(=O)c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.58517504
12277,COc1cccc(Oc2cccc(-c3cc4c(cc3O)C3Cc5cccc(Cl)c5CN3CC4)c2)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63468766
12278,COc1cccc2c1CN1CCc3cc(C)c(-c4cccc([N+](=O)O)c4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5721387
12279,COc1cccc2c1CN1CCc3cc(CCCNC(=O)O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46091774
12280,COc1ccccc1C1CCN(c2cc(OCCC(N)=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.17112176
12281,CSc1ccc(C2CCN(Oc3ccc(OCCN=S(C)(=O)O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.15600647
12282,Cc1cc(OCCC(C)COc2ccc3c(c2)NC(=O)CC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.17067401
12283,Cc1cc(OCCCl)ccc1OCCCOc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.2199566
12284,Cc1cc(OCCF)ccc1ONS(=O)(=O)Cc1ccc(S(C)(=O)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.030550223
12285,Cc1cc(OCCN=S(C)(=O)O)ccc1OCCCc1ccc2c(c1)CCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.16867346
12286,Cc1cccc(-c2cc3c(cc2O)C2Cc4cccc(C)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5948085
12287,Cc1ccccc1N1CCN(CCN2CCC(Oc3ccc4ccc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6351362
12288,O=C(c1ccccc1)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52037257
12289,O=S(=O)(NOc1ccc(OCCF)cc1C1CCNCC1)c1cccc(Cl)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20460327
12290,Oc1cc2ncccc2n1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75447416
12291,Oc1cccc2ccc(-c3cccc(CN4CCN(CCCF)CC4)c3)cc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6253096
12292,C#CC1CCN(CCN2CCN(c3ccccc3NCC3CCc4ccc(O)cc4O3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5216459
12293,CC(=O)Oc1ccc(OCCNCc2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.062364627
12294,CCCOc1ccc(OF)c(CN2CCN(c3ccccc3CC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7043472
12295,CCCOc1ccc(ON2CCN(c3ccccc3OCCC)CC2)c(C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3387089
12296,CCCOc1ccc(ONCC)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8363224
12297,CCCOc1ccc(OOC)c(CCNC(=O)c2cc(NC)ccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.01571827
12298,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC2COCC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18478355
12299,CCCOc1ccc(Oc2ccc(F)cc2)c(CN2CCC(Oc3ccccc3C=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.538255
12300,CCNC(=O)NCCc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47037983
12301,COC1CCN(CCN2CCN(c3ccccc3-n3cc(Cl)ccc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6714203
12302,COCCCN1CCN(Cc2cccc(-c3ccc4c(c3)CCc3ccc(cc3)CC4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7202781
12303,CON1CCN(CCNC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)c(O)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.17176741
12304,COc1cc2c(cc1COCc1ccccc1)CCN1Cc3c(CCO)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7844459
12305,COc1cc2c(cc1COc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6493016
12306,COc1cc2c(cc1Cc1ccc(CO)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7345739
12307,COc1cc2c(cc1NC(=O)OCc1ccccc1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.27975008
12308,COc1cc2c(cc1NCc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52248806
12309,COc1cc2c(cc1O)C1Cc3cccc(C(=O)NCc4ccc(C[N+](=O)[O-])cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41161138
12310,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccsc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8340322
12311,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cccc(COC(C)C)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.676095
12312,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(O)NCCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63528806
12313,COc1cc2c(cc1OCc1ccc(Cl)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7863466
12314,COc1ccc(OCCC(F)CCc2ccc(F)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07459734
12315,COc1ccc(OCCCN2CCC(c3cccc(NC(C)=O)c3)CC2)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.75305706
12316,COc1ccc(OCCN2CCC(c3cccc(NC(C)=O)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.52208585
12317,COc1ccc(OCCN=S(C)(=O)O)cc1C1NCCCC1COc1cc2ccc(=O)c(C)cc2cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.07927465
12318,COc1ccc(OCCNC(=O)Cc2cccnc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.015696483
12319,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Cc2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29069734
12320,COc1cccc(-c2cc3c(cc2Br)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69273734
12321,COc1cccc(CN2CCN(CCCSc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63279134
12322,COc1cccc2c1CN1CCc3cc(C#Cc4cccc(C)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6883306
12323,COc1ccccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35113272
12324,CSc1ccc(S(=O)(=O)NCCOc2ccc(OOS(C)(=O)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.04895987
12325,CSc1cccc(C2CCN(CCOc3ccc(ON=S(C)(=O)O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6027117
12326,Cc1cc(OCCF)ccc1ON1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.38758802
12327,Cc1cc(OCCN2CCC(COc3ccc4c(c3)NC(=O)CC4)CC2)ccc1ONC(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.515411
12328,Cc1cc(OCCN2CCC(NS(=O)(=O)c3cccc(C(F)(F)F)c3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.66007656
12329,Cc1cc(OCCN2CCc3ccccc3C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4207121
12330,Cc1cc(OCCNCC2CCCN(Cc3ccccc3)C2)ccc1OC(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.15835705
12331,Cc1cc(OCCNCc2cccs2)ccc1ON(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.12086159
12332,Cc1cc(OCCNS(C)(=O)=O)ccc1OCNCC1CCc2ccc(S(C)(=O)=O)cc2CC1,[*]CCOc1ccc(O[*])c([*])c1,0.17448984
12333,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCCC(c2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.25000572
12334,Cc1cc(OCCc2ccc(F)cc2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.0972006
12335,Cc1ccc(-c2ccccc2N2CCN(CCN3CCC(O)CC3)CC2)nc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.63099265
12336,Cc1cccc2c1CN1CCc3cc(-c4cccc(O)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6323645
12337,ClCCCN1CCN(Cc2cccc(-c3coc(-c4ccccc4)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5815507
12338,ClCCCN1CCN(Cc2cccc(Cc3cccc(-c4ccccc4)n3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5983249
12339,N#Cc1ccc(COC(=O)c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5216514
12340,O=C(NCc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1ccc(-c2ccccc2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7393976
12341,O=C1Nc2ccccc2C1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67410964
12342,O=C1c2ccccc2C(=O)N1CCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64251316
12343,Oc1cc2c(c3ccccc3ncn1C1CCN(CCN3CCN(c4ccccc4F)CC3)CC1)=CC=2,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.47485766
12344,Oc1cc2c(cc1Cc1ccco1)CCN1Cc3c(Br)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75686395
12345,Oc1cccc2c1CN1CCc3cc(-c4ccc5ccccc5n4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58427334
12346,Oc1ccccc1N1CCN(CCN2CCC(c3ncc(-c4ccccc4)[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7303928
12347,C#C[N+](=O)c1ccc(Cc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.601562
12348,CC(C)Oc1ccccc1N1CCN(CCN2CCC(C(=O)NCc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82958513
12349,CCCC(=O)Nc1cc2c(cc1O)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.20132273
12350,CCCOc1ccc(OC)c(CN2CCC(NC(=O)c3ccc(SC)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.44899565
12351,CCCOc1ccc(OC)c(CN2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.86242443
12352,CCCOc1ccc(OCc2ccc(C(C)=O)cc2)c(C(=O)Nc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.015265326
12353,CCCOc1ccc(OF)c(CN2CCN(c3cccc(C(=O)OC)c3)C(=O)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1953612
12354,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCCCC2CCc2cccc3c2NC(=O)CCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32231334
12355,CCCOc1ccc(OOC)c(NCC2CCc3c(cccc3OC)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5491162
12356,CCCOc1ccc(OOCCF)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.79436725
12357,CCCOc1ccc(OS(C)(=O)=O)c(CN2CCC(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.55053204
12358,CCCOc1ccc(OS(C)(=O)=O)c(NS(=O)(=O)c2ccc(CC(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.037294902
12359,CC[N+]Cc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.81629354
12360,CNC(=O)c1cc2c(cc1OC)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47470245
12361,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(S)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80156857
12362,COC1CCN(CCN2CCN(c3ccccc3C(=O)Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6941909
12363,COCCCN1CCN(Cc2cccc(CNS(=O)(=O)c3cc4ccccc4s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.47958177
12364,COCc1cccc2c1CN1CCc3cc(-c4ccccc4)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71672523
12365,COOc1ccc(OCCF)cc1CCCN1CCN(C(=O)c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.32527673
12366,COc1cc2c(cc1O)C1Cc3cccc(-c4cc(O)cc(NCCO)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51249635
12367,COc1cc2c(cc1O)C1Cc3cccc(C#N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.87609273
12368,COc1cc2c(cc1O)CCN1Cc3c(Cc4cccc(CO)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71288824
12369,COc1cc2c(cc1OC)C1Cc3cccc(C#Cc4ccc(CO)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7506059
12370,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)NCc4cccc(Cl)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36914524
12371,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)NCc4cccc([N+](=O)[O-])c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32191384
12372,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc(C(F)(F)F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69861215
12373,COc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7589713
12374,COc1ccc(OCCC=Cc2ccc(F)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.12103567
12375,COc1ccc(OCCC=O)cc1CCC(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.049102087
12376,COc1ccc(OCCCS(C)(=O)=O)cc1N1CCCC(CCc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.30083978
12377,COc1ccc(OCCF)cc1NC(=O)Cc1ccc(SCC2CCN(S(C)(=O)=O)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.021341074
12378,COc1ccc(OCCN2CCC(CCc3ccc(F)cc3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.63537157
12379,COc1ccc(OCCN2CCC(NC(=O)c3ccc(C(C)C)cc3)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.41377497
12380,COc1ccc(OCCN2CCC(NC(=O)c3cccc(S(C)(=O)=O)c3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.46342486
12381,COc1ccc(OCCNS(C)(=O)=O)cc1C1CCC(CCc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28464904
12382,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29460672
12383,COc1ccc(OCCOC2CCN(Cc3ccccc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5099794
12384,COc1ccc(OCCS(C)(=O)=O)cc1Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07877025
12385,COc1ccc(OCCS(N)(=O)=O)cc1NCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.089106746
12386,COc1cccc(-c2ccnc(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)c2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.816441
12387,COc1cccc(CCNCCOc2ccc(OS(N)(=O)=O)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2010586
12388,COc1cccc2c1CN1CCc3cc(-c4ccc(N(C)S(C)(=O)=O)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5999318
12389,COc1ccccc1N1CCN(CCN2CCC(c3nccc(-c4ccc(F)cc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80646795
12390,COc1ccccc1NS(=O)(=O)c1cc(OCCNCc2ccc(F)cc2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.16173248
12391,CSOc1ccc(OCCN2CCCC(COc3ccc(C)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.3703152
12392,Cc1cc(OCCN2CCC(C3CCc4ccccc4C3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4451145
12393,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)SCCC(=O)N4)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.43455735
12394,Cc1cc(OCCNC(=O)Sc2ccc(F)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.022623233
12395,Cc1cc2c(cc1O)CCN1Cc3c(Br)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69681966
12396,Cc1ccc(C(=O)NCCN2CCN(O)CC2)cc1-c1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3199653
12397,Cc1cccc2c1CN1CCc3cc(COCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6158814
12398,ClCCCN1CCN(Cc2cccc(Cc3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.71766675
12399,N#Cc1ccccc1N1CCN(CCN2CCC(c3cccc(F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87244445
12400,OC(Cc1ccccc1)C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76460725
12401,Oc1cc2c(cc1CCOc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7050796
12402,Oc1cc2c(cc1O)C1Cc3cccc(Cc4cccc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7518624
12403,Oc1nc2cc(CCCN3CCN(Cc4cccc(Cl)c4)CC3)ccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6683554
12404,CCCOc1ccc(OCN2CCN(c3cccc(C)c3)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.53877425
12405,CCCOc1ccc(OF)c(CCN2CCC(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.767737
12406,CCCOc1ccc(OF)c(N2CCC(Oc3ccc(C)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19104384
12407,CCCOc1ccc(OF)c(N2CCN(c3ccccc3OCC(F)(F)F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32631224
12408,CCCOc1ccc(ON)c(-c2ccccc2C(C)c2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15096922
12409,CCCOc1ccc(ON2CCC(c3ccccc3C)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38324487
12410,CCCOc1ccc(OS(C)(=O)=O)c(NS(=O)(=O)c2ccccc2CC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.086608246
12411,CCN(C(=O)C1CCCCC1)C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6563214
12412,CCc1ccccc1C1(O)CCN(CCCOc2ccc(OC)c(OS(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5506092
12413,COC1CCN(CCN2CCN(c3ccccc3-c3cc4ccccc4n3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6732118
12414,COC1CCN(CCN2CCN(c3ccccc3-c3cnc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77303714
12415,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc(-c4ncc5ccccc5n4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8794862
12416,COCCOc1ccc(OC)c(CNCC(=O)c2ccccn2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03628226
12417,CON1CCN(CCNC(=O)c2ccc([O-])c(-c3ccccc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3734241
12418,COc1cc(C(=O)NCCN2CCN(O)CC2)ccc1-c1cccc(Cl)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30220982
12419,COc1cc2c(cc1CNC(=O)Cc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.25592095
12420,COc1cc2c(cc1N)C1Cc3cccc(OCc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7403186
12421,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(OCc5ccc(C#N)cc5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6113585
12422,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(OC(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6945283
12423,COc1ccc(C2CCN(CCOc3ccc(ON=S(C)(=O)O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.52903575
12424,COc1ccc(OCCCCNC(=O)c2cccs2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.03073749
12425,COc1ccc(OCCCN2CCC(c3ccccc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.82672787
12426,COc1ccc(OCCCN=S(C)(=O)O)cc1CN1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.46508288
12427,COc1ccc(OCCF)cc1CS(=O)(=O)C1CCCN1Cc1ccc(Cl)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.31247026
12428,COc1ccc(OCCN2CC=C(c3ccc(F)cc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.5839286
12429,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCC4)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.610043
12430,COc1ccc(OCCN2CCC(Oc3ccc(CC(F)(F)F)cc3)CC2)cc1SC(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.5487093
12431,COc1ccc(OCCN2CCC(c3ccccc3C(F)(F)F)CC2C)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.42509842
12432,COc1ccc(OCCN2CCN(C(=O)c3ccc(F)cc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.24583744
12433,COc1ccc(OCCN2CCN(c3ccccc3OC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.8697091
12434,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(c2ccc(C(C)C)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20414105
12435,COc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1C(=O)NSC,[*]CCOc1ccc(O[*])c([*])c1,0.027829774
12436,COc1ccc(OCCNC(C)=O)cc1CN1CCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5574583
12437,COc1ccc(OCCNS(C)(=O)=O)cc1NC(C)COc1ccc2c(c1)CCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.20984374
12438,COc1ccc(OCCOC(C)=O)cc1CN1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.44521698
12439,COc1ccc(OCCS(C)(=O)=O)cc1NC(=O)CCC1CCCc2cc(ccc2OC2CCNC2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.08517209
12440,COc1ccc(OCCS(C)(=O)=O)cc1NCCC1CCc2ccccc2C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.25675964
12441,COc1ccc(OCCSC)cc1N1CCC(NS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3042104
12442,COc1ccc2cccc(-c3cccc(CN4CCN(CCCF)CC4)c3)c2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56316626
12443,COc1cccc(CN2CCN(CCCCNC(=O)c3ccc4ccccc4n3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.580151
12444,COc1cccc(CN2CCN(CCCc3oc(-c4ccccc4)nc3O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5992201
12445,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(O[O-])CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32151905
12446,COc1ccccc1N1CCN(CCN2CCC(c3cn4cc(O)ccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78823614
12447,Cc1cc(OCCCN(C)S(C)(=O)=O)ccc1OOCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.15752965
12448,Cc1cc(OCCN2CCC(C)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5381885
12449,Cc1cc(OCCN2CCC(Cc3ccccc3N)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.565273
12450,Cc1cc(OCCN2CCN(c3ccccc3F)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5317923
12451,Cc1cc(OCCOCC(C)Oc2ccc3c(c2)NC(=O)CC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13956434
12452,Cc1cc2c(cc1-c1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6473638
12453,Fc1ccc(F)c(C2CCN(CCN3CCN(c4ccccc4OC(F)(F)F)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8203861
12454,Nc1cccc2c1CN1CCc3cc(O)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6990511
12455,O=C(C=Cc1ccccc1)Nc1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.40735313
12456,O=S(=O)(c1cccc(CN2CCN(CCCCl)CC2)c1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49866375
12457,O=[N+]([O-])c1cccc(-c2cc3c(cc2Br)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42812663
12458,O=c1oc2ccccc2cc1-c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68287325
12459,Oc1cc2c(cc1Cl)C1Cc3cccc(Oc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7232845
12460,c1ccc(CCCN2CCN(Cc3cccc(-c4ccc5ccccc5c4)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7484767
12461,CC(=O)c1ccc2c(c1)C(CNOc1ccc(OCCN=S(C)(=O)O)cc1C)C(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.12074024
12462,CC1(C)C(=O)N(c2cccc(CN3CCN(CCCCl)CC3)c2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57831997
12463,CC=Cc1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71938086
12464,CCCOc1ccc(OCN2C=CN(C(C)=O)CC2)c(CF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11642033
12465,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(Cc3ccc(OC4CCCCC4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26078358
12466,CCCOc1ccc(OOC)c(N2CCC(NC(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20030594
12467,CCCOc1ccc(OOS(C)(=O)=O)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09048942
12468,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(CCc3ccc(SC)c4ccccc34)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21080926
12469,CCCc1ccc(Cc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72023886
12470,CCOc1ccccc1N1CCN(CCN2CCC(Cn3cc(F)cnc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6208432
12471,CCc1cccc(-c2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73458594
12472,COC(=O)Nc1ccc(C2CCN(CCN3CCN(c4ccccc4SC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.62135017
12473,COC1CCN(CCN2CCN(c3ccccc3C(=O)OC(C)(C)C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64350104
12474,COCCCN1CCN(Cc2cccc(-c3ccc4oc(C(N)=O)cc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.47385806
12475,COCCOc1ccc(OC)c(CNC(=O)c2ccc(NC=O)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.016325958
12476,COCc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69400793
12477,CON1CCN(CCNC(=O)c2ccc(Cl)c(-c3cccc(C)c3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26931655
12478,COOc1ccc(OCCN2CCCc3ccccc3C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.54384565
12479,COOc1ccc(OCCNS(=O)(=O)c2cc(C(C)C)ccc2F)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.036034055
12480,COc1ccc(Cl)cc1S(=O)(=O)NC1CCN(CCN2CCN(c3ccccc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.648776
12481,COc1ccc(OCCCCCc2ccccc2)cc1NC(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.027773522
12482,COc1ccc(OCCN2CCC(C(=O)c3cccc(C)c3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.45703995
12483,COc1ccc(OCCN2CCC(c3ccccc3)CC2)cc1NC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3959446
12484,COc1ccc(OCCN2CCOC(CCc3ccc(F)cc3)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.43852648
12485,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1S(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.020138223
12486,COc1ccc(OCCNC(C)=O)cc1N1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.35276803
12487,COc1ccc(OCCNS(C)(=O)=O)cc1CCOc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.19076358
12488,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(C(=O)c2ccc(SC)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.14207391
12489,COc1ccc(OCCS(C)(=O)=NO)cc1N1CCC(c2ccc(C)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.15050976
12490,COc1ccc2c(Cc3cccc4c3CN3CCc5cc(OC)c(OC)cc5C3C4)cccc2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75418466
12491,COc1ccc2c(c1)CC(c1ccccc1N1CCN(CCN3CCC(OC)CC3)CC1)CC2=O,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7498192
12492,COc1cccc(CN2CCN(CCCc3csc(-c4ccccc4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6185975
12493,COc1cccc2c1CN1CCc3cc(-c4ccc(O)nc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6604277
12494,COc1cccc2c1CN1CCc3cc(CC=O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.681903
12495,COc1ccccc1-c1cc(C(=O)NCCN2CCN(F)CC2)ccc1Br,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.37764454
12496,COc1ccccc1CCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7540366
12497,COc1ccccc1N1CCN(CCN2CCC(Cn3cc(Cl)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8059334
12498,COc1ccccc1N1CCN(CCN2CCC(Oc3ccc4cc(O)ccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78736836
12499,COc1ccccc1N1CCN(CCN2CCC(c3cc4ccc3CCc3ccc(cc3)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8452468
12500,COc1ccccc1N1CCN(CCN2CCC(c3ncnc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74094945
12501,COc1ccccc1N1CCN(COc2ccc(OCCc3ccc(F)cn3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5754974
12502,COc1cnc2cc(Oc3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)ccc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.769197
12503,CS(=O)(=O)N1CCN(CCNC(=O)c2ccc(O)c(-c3ccccc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29821068
12504,CS(=O)(O)=NCCOc1ccc(OF)c(CN2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33155128
12505,CSc1ccc(C(=O)NCCOc2ccc(ON=S(C)(=O)O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.012699195
12506,Cc1cc(OCCN2CCC(COc3ccc4c(c3)NC(=O)CCN4)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.40853348
12507,Cc1cc(OCCN=S(C)(=O)O)ccc1ONc1ccccc1CCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.045360632
12508,Cc1cc(OCCNS(=O)(=O)c2ccccc2C)ccc1OCSS,[*]CCOc1ccc(O[*])c([*])c1,0.10443474
12509,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(Oc2ccc(CC3CCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19455019
12510,Cc1cc2c(cc1O)CCN1Cc3c(CC4CC4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63519984
12511,O=C(N=CCCCCN1CCN(Cc2cccc(Cl)c2)CC1)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6710947
12512,O=C(NCc1ccc(F)cc1)NC1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7961515
12513,O=C(NCc1cccc(CN2CCN(CCCF)CC2)c1)c1cc2ccccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5881956
12514,O=C1c2ccccc2CN1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66477615
12515,Oc1ccc2ccc(Cc3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)cc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66306746
12516,CC(O)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6861745
12517,CC1(C(=O)NCCCCN2CCN(Cc3cccc(Cl)c3)CC2)CCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5805804
12518,CC1(Cc2cccc(CN3CCN(CCCCl)CC3)c2)CNc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5380539
12519,CCC(=O)Oc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5101488
12520,CCCOc1ccc(OCC(=O)c2ccc(F)cc2)c(C(=O)NCc2cccc(NC=O)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.02628449
12521,CCCOc1ccc(ON2CCC(C(=O)c3ccccc3)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1709363
12522,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(Cc3ccc(C(=O)OC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1701847
12523,CCCOc1ccc(ONS(C)(=O)=O)c(NC(=O)c2ccc(CCCF)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03126979
12524,CCCOc1ccc(ONS(C)(=O)=O)c(OC2CCc3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.45703006
12525,CCCOc1ccc(OOC(C)=O)c(N2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2410661
12526,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(c3ccc(CCC(C)=O)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15272841
12527,CCNC(=O)Nc1cccc2c1CN1CCc3cc(C)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.24651317
12528,CCOc1ccccc1N1CCN(CCN2CCC(c3cc4ccccn4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8090294
12529,CN1CCN(CCNC(=O)c2ccc(Br)c(-c3ccco3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.21594271
12530,COC(=O)NCCc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.501025
12531,COC1CCN(CCN2CCN(c3ccccc3S(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6062139
12532,COC1CCN(CCN2CCN(c3ccccc3S(=O)(=O)c3cnc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67413133
12533,COCCOc1ccc(OC)c(CF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10750713
12534,COCCOc1ccc(OC)c(NCC2CCc3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37887815
12535,COCCOc1ccc(OCN2CCc3cc(OC)c(OC)cc3C2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.45921814
12536,COCc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8276622
12537,COOc1ccc(OCCN2CCC(C=Cc3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.64439553
12538,COc1cc2c(cc1-c1cccc([N+](=O)[O-])c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41538638
12539,COc1cc2c(cc1Cc1cccc([N+](O)=C(O)F)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60779685
12540,COc1cc2c(cc1Cc1ccncc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75969857
12541,COc1cc2c(cc1O)C1Cc3cccc(Oc4ccc(C(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79593664
12542,COc1cc2c(cc1O)CCN1Cc3c(COCc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8242751
12543,COc1ccc(Br)cc1OC1CCN(CCN2CCN(c3ccccc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68266755
12544,COc1ccc(COc2cc3c(cc2OC)C2Cc4cccc(OCC#N)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7298291
12545,COc1ccc(COc2cc3c(cc2OC)CCN2Cc4c(F)cccc4CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74008954
12546,COc1ccc(OCCCC(=O)c2ccc(F)cc2)cc1CN1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.39369005
12547,COc1ccc(OCCF)cc1CCN1CCN(c2ccccc2C(F)(F)F)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.83898854
12548,COc1ccc(OCCN2CCC(Cc3ccc4ccccc4c3)CC2)cc1C(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5678348
12549,COc1ccc(OCCN2CCC(Oc3ccc4ccc(F)cc4c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5437541
12550,COc1ccc(OCCN2CCC(c3cccc(C(F)(F)F)c3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6335641
12551,COc1ccc(OCCN2CCCC(CCc3ccc(F)cc3)C2)cc1C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.5291467
12552,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(Cc2ccc3c(c2)NCC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3577833
12553,COc1cccc(CCNCCOc2ccc(ON3CCNC3=O)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23772669
12554,COc1cccc(CN2CCN(CCCC(=O)C3Cc4ccccc4N3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6058206
12555,COc1cccc(CN2CCN(CCCN3CCC(Nc4ccccc4)C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4731816
12556,COc1ccccc1-c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67253935
12557,CS(=O)(=O)Nc1cc(OCCF)ccc1OCN1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.38620937
12558,CSOc1ccc(OCCN2CCN(C(=O)Cc3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.18582089
12559,CSc1ccc(C(=O)C2CCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.50095016
12560,CSc1ccc(C2(O)CCN(COc3ccc(OCCF)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.47289142
12561,Cc1cc(OCCCS(=O)(=O)c2ccc(F)cc2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.076525904
12562,Cc1cc(OCCN=S(C)(=O)O)ccc1ONc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.043444984
12563,Cc1cc(OCCOC(=O)CCc2ccc3c(c2)CCCC3)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.05953486
12564,Cc1ccc(C2CCN(COc3ccc(OCCNS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.3679575
12565,Cc1ccccc1N1CCN(CCN2CCC(CC(=O)NCc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5977186
12566,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5782583
12567,ClCCCN1CCN(Cc2cccc(-c3ccc(C4CCCCC4)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.73716074
12568,Clc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccccc4)no3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8202472
12569,FC(F)(F)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84294194
12570,FCCOc1cccc(CN2CCN(CCCc3ccc(F)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70239013
12571,O=C(c1ccc2nc(O)ccc2c1)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7086011
12572,O=[N+]([O-])C1CCN(CCN2CCN(c3ccccc3-n3cc(-c4ccc(F)cc4)nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5389705
12573,OCc1ccn(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66199416
12574,Oc1ccccc1CCCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6391001
12575,CC(=O)NCCOc1ccc(ON2CCC(Cc3ccc(F)cc3)C2=O)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.104712024
12576,CC(=O)Oc1cc2c(cc1O)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54529846
12577,CC(C)(C)C1CCN(CCN2CCN(c3ccccc3-n3cc(F)cnc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5832088
12578,CC(C)Oc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7764769
12579,CC(C)Oc1ccccc1N1CCN(CCN2CCC(Nc3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6215684
12580,CCC1(c2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)CCCC1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69096136
12581,CCCOc1ccc(OC(F)Cc2ccccn2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.104608215
12582,CCCOc1ccc(OC=O)c(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.59856266
12583,CCCOc1ccc(OCN)c(N2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32103837
12584,CCCOc1ccc(ON2CCN(c3ccccc3OC)CC2)c(OC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1861485
12585,CCNC(=O)Nc1cc(Cl)ccc1-c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45580748
12586,CCOc1cccc(CCCOc2ccc(ONS(C)(=O)=O)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.071304485
12587,CCOc1ccccc1N1CCN(CCOc2ccc(OC)c(C=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.83907646
12588,COC1CCN(CCN2CCN(c3ccccc3-c3ccc4c(c3)OCO4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73240644
12589,COCCCN1CCN(Cc2cccc(CN3CCc4c(cccc4-c4ccccc4)C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5638484
12590,COCCOc1ccc(OC)c(NCCc2cccc(OC)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0957472
12591,COOc1ccc(OCCN2CCC(Oc3ccc4c(c3)NC(=O)CC4)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6257058
12592,COOc1ccc(OCCNC(=O)c2ccc3c(c2)CC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.08824459
12593,COc1cc2c(cc1C=O)CCN1Cc3c(cccc3Oc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6594813
12594,COc1cc2c(cc1F)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70640075
12595,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc(OCc5ccc(C#N)cc5)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65212095
12596,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(O)c3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7216468
12597,COc1ccc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)nc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7662701
12598,COc1ccc(C(=O)c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51567465
12599,COc1ccc(CNOc2ccc(OCCN=S(C)(=O)O)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.039762978
12600,COc1ccc(OCCCN2CCCC(c3ccc(F)cc3)C2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.6769332
12601,COc1ccc(OCCCOc2ccc(SC)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08733969
12602,COc1ccc(OCCCS(=O)(=O)c2ccc(F)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.0740136
12603,COc1ccc(OCCF)cc1C(=O)NCC1CCCN1CC=S(=O)(O)O,[*]CCOc1ccc(O[*])c([*])c1,0.45289874
12604,COc1ccc(OCCN2CCC(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.46991274
12605,COc1ccc(OCCN2CCC(C(=O)c3ccccc3)CC2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.500903
12606,COc1ccc(OCCN=S(C)(=O)O)cc1CC(=O)Nc1ccc(C2CCCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.007960848
12607,COc1ccc(OCCN=S(C)(=O)O)cc1NC(=O)C=Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.03310656
12608,COc1ccc(OCCNC(C)=O)cc1CS(=O)(=O)C1CCCN(Cc2ccc(Cl)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.3366904
12609,COc1ccc(OCCNCC2CCc3ccc(F)cc3C2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.27863422
12610,COc1ccc(OCCNCCc2ccccc2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.26689333
12611,COc1ccc(OCCOC2CCCN(Cc3ccc(F)cc3)C2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.42717198
12612,COc1ccc(OCC[SH](C)(N)=O)cc1N1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.24104066
12613,COc1ccc(S(=O)(=O)Nc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.50674146
12614,COc1ccc2ccc(Cc3cccc4c3CN3CCc5cc(O)c(OC)cc5C3C4)cc2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66963387
12615,COc1cccc(CN2CCN(CCCc3cccc(NC(=O)C(C)C)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3127039
12616,COc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3ccncc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81873566
12617,COc1ccccc1N1CCN(CCN2CCC(n3c(O)nc4ccc5ccccc5c43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8468426
12618,Cc1cc(OCCCCCc2ccc(OC3CCCC3)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10154411
12619,Cc1cc(OCCCS(N)(=O)=O)ccc1ON1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.314992
12620,Cc1cc(OCCF)ccc1ONCCc1ccc(S(C)(=O)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.03928741
12621,Cc1cc(OCCNCCc2cccs2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.13205303
12622,Cc1cccc2c1CN1CCc3cc(C(=O)O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41994464
12623,ClCCCN1CCN(Cc2cccc(C3=CC=Cc4ccccc4N3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.43343884
12624,Clc1cccc(CN2CCN(CCCc3coc(-c4ccccc4)n3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62312704
12625,Fc1cccc(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8461344
12626,O=C(NCC1CCN(CCN2CCN(c3ccccc3-c3ccccc3)CC2)CC1)c1ccccc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8197742
12627,O=C(NCc1cccc(CN2CCN(CCCCl)CC2)c1)C1c2ccccc2-c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.574977
12628,O=C(NCc1ccccc1)c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46709457
12629,O=C1Cc2ccccc2N1c1cccc(CN2CCN(CCC[N+](=O)[O-])CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5807023
12630,OC1=Nc2ccccc2C1c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66476524
12631,Oc1cccc(CN2CCN(CCCc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7695654
12632,CC(=O)Nc1cccc(C2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6013863
12633,CC1CN(CCCN2CCN(Cc3cccc(Cl)c3)CC2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7097812
12634,CC1Cc2ccccc2N1C(=O)c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7400416
12635,CCCCN1CCN(Cc2cccc(Cc3cc4ccccc4s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5092807
12636,CCCCc1ccc(C2CCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.5945026
12637,CCCOc1ccc(OCF)c(CN2CCCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7750015
12638,CCCOc1ccc(ON=S(C)(=O)O)c(Cc2ccc(CC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.055347662
12639,CCCOc1ccc(ONS(C)(=O)=O)c(NC(=O)Cc2ccc3c(c2)CC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.077557474
12640,CCCOc1ccc(OOC)c(N2CCC(NS(=O)(=O)c3cccc(F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3477982
12641,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(Oc3ccc(CCC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2887855
12642,CCCc1ccc(OC2CCN(CCOc3ccc(OC)c(S(N)(=O)=O)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.5107056
12643,CCOc1cc(OCCCN2CCCN(c3ccccc3OC)CC2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.90761226
12644,CCOc1ccccc1N1CCN(Cc2cc(OCCCn3ccc(F)c3)ccc2OOC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.76300997
12645,CN1C(=O)C(CCCN2CCN(Cc3cccc(Cl)c3)CC2)Cc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7414516
12646,COC1CCN(CCN2CCN(c3ccccc3OCc3cc4ccccc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85246
12647,COCCOc1ccc(OC)c(CCNC(=O)c2cc(N3CCCCC3)ccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10666718
12648,COCCOc1ccc(OC)c(CN2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.65215784
12649,CON1CCN(CCNC(=O)c2ccc(Cl)c(-c3ccccn3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.39813775
12650,COOc1ccc(OCCNS(=O)(=O)c2ccccc2C2CCCC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.13062464
12651,COc1cc2c(cc1C(=O)Nc1cccc(Cl)c1Cl)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.2705071
12652,COc1cc2c(cc1C)CCN1Cc3c(CO)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72498024
12653,COc1cc2c(cc1N)C1Cc3cccc(OCc4ccc5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69110966
12654,COc1cc2c(cc1OC)C1Cc3cccc(N4CCCCC4=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4739047
12655,COc1cc2c(cc1OCc1ccc(O)cc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6606024
12656,COc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1cccc(Cl)c1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30905256
12657,COc1ccc(OCCC(=O)COc2ccc(CF)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.017913323
12658,COc1ccc(OCCC(N)=O)cc1CCNC(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.019585317
12659,COc1ccc(OCCCC(=O)Cc2ccc3c(c2)CCCC3)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13849212
12660,COc1ccc(OCCCOCC(C)C)cc1CN1CCN(c2ccccc2OC)C(=O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.30232102
12661,COc1ccc(OCCF)cc1CNS(=O)(=O)c1ccccc1C(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.052329082
12662,COc1ccc(OCCN2CCC(Cc3ccc(F)cc3)CC2)cc1CC=S(=O)(O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5244538
12663,COc1ccc(OCCN2CCC(c3noc4cc(F)ccc34)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.77955645
12664,COc1ccc(OCCN2CCN(c3ccccc3OC)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.92836815
12665,COc1ccc(OCCNC(=O)c2cccs2)cc1CN1CCC(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.344581
12666,COc1ccc(OCCO)cc1N1CCCC(C(=O)c2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2228836
12667,COc1ccc(OCCOC2CCCCC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13693981
12668,COc1ccc(OCCS(C)(=O)=O)cc1NCc1cccs1,[*]CCOc1ccc(O[*])c([*])c1,0.06996089
12669,COc1cccc(CN2CCN(CCCCc3coc(-c4ccccc4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6924378
12670,COc1cccc(CN2CCN(CCCN3c4ccccc4-c4ccccc4S3(=O)=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6055967
12671,COc1cccc(CN2CCN(CCCNC(=O)c3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4097088
12672,COc1ccccc1N1CCN(CCN2CCC(c3ccc(C(=O)F)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7751157
12673,CSOc1ccc(OCCC(C)COc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.20432737
12674,Cc1cc(OCCC(C)COc2ccccc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07203035
12675,Cc1cc(OCCNC2CCC(O)(NCc3ccc(F)cc3)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10872302
12676,Cc1cc(OCCNCC2CONC(=O)C2)ccc1ONC(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.055436503
12677,Cc1cc(OCCNS(=O)(=O)c2ccc(F)cc2)ccc1OOC1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.118045636
12678,Cc1ccccc1N1CCN(CCN2CCC(c3ccnc(O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6157877
12679,Cc1ccn(CCCCN2CCN(Cc3cccc(F)c3)CC2)c(=O)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6239626
12680,NC(CO)=Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71966195
12681,O=C(CCCN1CCN(Cc2cccc(F)c2)CC1)Oc1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5131272
12682,O=C1CC2(CCCC2)C(=O)N1Cc1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56030923
12683,O=c1ccc(F)cn1C1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7998784
12684,Oc1cc(Cc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c2ccccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6814496
12685,Oc1cccc(-c2cc3c(cc2Br)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7051504
12686,Oc1cccc2c1CN1CCc3cc(Nc4c(Cl)cc(Cl)cc4Cl)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65406775
12687,CC(=O)c1ccc(SCCCCOc2ccc(ONS(C)(=O)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.040261008
12688,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3cccc(O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8408924
12689,CC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccc(C#N)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.63367426
12690,CCCCc1ccccc1OCCOc1ccc(ON=S(C)(=O)O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08866597
12691,CCCOc1ccc(OC(=O)C2CCNCC2)c(CCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12522705
12692,CCCOc1ccc(OCN2CCN(c3ccc(Cl)cc3)CC2)c(OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.49960977
12693,CCCOc1ccc(OCN2CCN(c3cccc(Cl)c3)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5779094
12694,CCCOc1ccc(ON)c(CCN2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.78521997
12695,CCCOc1ccc(ONC(C)=O)c(N2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30100748
12696,CCCOc1ccc(ONS(C)(=O)=O)c(NCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06344271
12697,CCCOc1ccc(OOC)c(N2CCC(O)(c3ccc(C)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1389622
12698,CCCOc1ccc(OS(C)(=O)=O)c(CN2CCC(c3ccc(CF)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.54019904
12699,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3ccc(C)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20772257
12700,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(c3ccc(CC(F)(F)F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2150564
12701,CCCOc1ccc(OSC)c(Cn2cc(C)cc2O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06671641
12702,CCCc1ccc(-c2cccc3c2CN2CCc4cc(C)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58526707
12703,CCOc1ccccc1N1CCN(CCN2CCC(c3ccc(C(F)(F)F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87332505
12704,CNOc1ccc(OCCc2cc(C3CCC(F)CC3)no2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.11040476
12705,COCCOc1ccc(OC)c(NCC2CCc3cccc(F)c3CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39806646
12706,COOc1ccc(OCCc2cc(F)ccc2OC)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.10115436
12707,COc1cc2c(cc1CNC(=O)CO)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42428583
12708,COc1cc2c(cc1O)CCN1Cc3c(COCc4ccc(F)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78833574
12709,COc1cc2c(cc1O)CCN1Cc3c(Cc4c(C#N)ccc5ccccc45)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73534524
12710,COc1cc2c(cc1OC)C1Cc3cccc(C=C4CCOCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7070705
12711,COc1cc2c(cc1OC)C1Cc3cccc(OCc4ccc(CF)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7185572
12712,COc1cc2c(cc1OCc1ccco1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6989333
12713,COc1ccc(CNCc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71003586
12714,COc1ccc(COCc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79298615
12715,COc1ccc(OC)c(C(=O)NC2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76299596
12716,COc1ccc(OCCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.46834764
12717,COc1ccc(OCCCNS(C)(=O)=O)cc1N1CCCC(CCc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.248268
12718,COc1ccc(OCCN)cc1CN1CCC(F)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5564138
12719,COc1ccc(OCCN2CCCCC2Cc2ccc(F)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.28612843
12720,COc1ccc(OCCNCc2cccc(S(C)(=O)=O)c2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16515814
12721,COc1ccc(OCCNCc2ccccc2)cc1NC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.14885584
12722,COc1ccc(OCCNS(=O)(=O)c2ccc(F)cc2)cc1CN1CCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.13664885
12723,COc1cccc(CN2CCN(CCCC3CCC(c4ccccc4)CC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72107667
12724,COc1cccc(CN2CCN(CCCCNC(=O)c3coc4ccccc4c3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5618423
12725,COc1cccc(CN2CCN(CCCCc3cccc(-c4ccc(Cl)cc4)n3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66817045
12726,COc1cccc(CN2CCN(CCCN3c4ccccc4NC(=O)C3(C)C)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53283775
12727,COc1cccc2c1CN1CCc3cc(NC=Cc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57639754
12728,COc1ccccc1N1CCN(CCNC(=O)c2ccc(C)c(F)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.9011191
12729,CS(=O)(=O)c1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5732925
12730,Cc1cc(OCCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)ccc1OF,[*]CCOc1ccc(O[*])c([*])c1,0.87284416
12731,Cc1cc(OCCCSCc2ccc(F)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.068716995
12732,Cc1cc(OCCF)ccc1OCN1CCC(Cc2ccc3c(c2)NC(=O)CCS3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.38772696
12733,Cc1cc(OCCF)ccc1ONS(=O)(=O)c1ccccc1C=O,[*]CCOc1ccc(O[*])c([*])c1,0.08053564
12734,Cc1cc(OCCN2CCC(c3ccccc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6703872
12735,Cc1cc(OCCN2CCN(Cc3ccc(Cc4ccccc4)o3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3749437
12736,Cc1cc(OCCN=S(C)(=O)O)ccc1OC=Cc1ccccc1OC1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.121453956
12737,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)CN(C)CC3)ccc1OS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.15321451
12738,Cc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cccc(OC(F)(F)F)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43234926
12739,Cc1ccc(C(=O)NCCN2CCN(Cl)CC2)cc1-c1cccc(Cl)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30641112
12740,ClCCCN1CCN(Cc2cccc(-c3cc(-c4ccccc4)co3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5987372
12741,Fc1ccc(C2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8512951
12742,O=C(Nc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2)c1ccc2ccccc2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36411577
12743,O=C(Nc1ccccc1)C1CCN(CCN2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.47678116
12744,Oc1cccc2c1CN1CCc3cc(-c4c(F)cc(F)cc4F)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69151354
12745,Oc1cccc2c1CN1CCc3cc(-c4cccc(F)c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65565634
12746,CC(=O)c1ccc(N2CCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.5585481
12747,CC(C)Oc1ccccc1N1CCN(CCN2CCC(n3ccc(Cl)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7639369
12748,CC(O)c1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72783804
12749,CCCOc1ccc(OC)c(CNC(=O)c2ccc(SC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.030626036
12750,CCCOc1ccc(OCn2cccn2)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7498209
12751,CCCOc1ccc(ON2CCC(CC(=O)c3ccccn3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27689376
12752,CCCOc1ccc(OS(=O)(=O)O)c(NCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05912244
12753,CCCOc1ccc(OS(C)(=O)=O)c(NCC2CCC(Oc3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1441778
12754,CCCOc1ccc(OS(C)(=O)=O)c(NCC2CCc3ccc(F)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.43948054
12755,CCCOc1ccc(OSC)c(N(C)c2ncccc2OCC(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11096347
12756,CCN(Cc1ccccc1)Cc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76750094
12757,CCNC(=O)Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36637983
12758,CCNC(=O)c1ccc(Cc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40125167
12759,CCOc1cccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2Cl)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.28141907
12760,CCOc1ccccc1N1CCN(CCN2CCC(C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.89865464
12761,CCc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7190161
12762,CNOc1ccc(OCCCN2CCN(Cc3cccc(OC)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.42405146
12763,COC1CCN(CCN2CCN(c3ccccc3-c3cc4ccccn4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7973338
12764,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3cc4ccccc4[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6822139
12765,COC1CCN(CCN2CCN(c3ccccc3OC(=O)C3CCc4ccccc4C3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76364625
12766,COCCOc1ccc(ON2CCN(c3ccccc3OCC(F)(F)F)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33956656
12767,CON1CCN(CCNC(=O)c2ccc(O)c(-c3ccc(O)o3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.20580119
12768,CON1CCN(CCNC(=O)c2ccc(O)c(-c3ccccc3[N+](=O)[O-])c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.36796457
12769,COOc1ccc(OCCc2ccc(C(C)=O)cc2)cc1CCCN1CCN(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7523935
12770,COc1cc2c(cc1Cc1cccc(CO)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68077826
12771,COc1cc2c(cc1O)C1Cc3cccc(CC4CC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8168688
12772,COc1cc2c(cc1O)C1Cc3cccc(NC(=O)c4cc5ccccc5[nH]4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36494535
12773,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)Oc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55988485
12774,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(C)C)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8516221
12775,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc5c(c4)CCC(=O)N5)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5277783
12776,COc1ccc(Cc2cc3c(cc2OC)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.769508
12777,COc1ccc(OCCC2CCCN(CCc3ccccc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.45224229
12778,COc1ccc(OCCCc2cccs2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09560834
12779,COc1ccc(OCCF)cc1CN1CCN(c2cccc(C(F)(F)F)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7221515
12780,COc1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5153468
12781,COc1ccc(OCCN2CCC(c3ccccc3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.72393894
12782,COc1ccc(OCCN=S(C)(=O)O)cc1OC(=O)CCc1ccc2c(c1)CC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.11698755
12783,COc1ccc(OCCNC2CCC(F)(S(=O)(=O)c3cccc(F)c3)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.17742908
12784,COc1ccc(OCCNS(=O)(=O)c2ccc(F)c(F)c2)cc1N1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.13846837
12785,COc1ccc(OCCS(C)(=O)=O)cc1C1CC(Oc2ccc(F)cc2)CCN1CCF,[*]CCOc1ccc(O[*])c([*])c1,0.37399787
12786,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Oc2ccc3c(c2)NC(=O)CCC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.51419586
12787,COc1ccc(OCCS(N)(=O)=O)cc1CCC1CCC(O)c2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.17473598
12788,COc1ccc(OCCc2ccc(SC)cc2)cc1OC1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.27044386
12789,COc1cccc(COc2cccc3c2CN2CCc4cc(OC)c(OCc5ccccc5)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6685657
12790,COc1cccc(OC)c1-c1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8300243
12791,COc1ccccc1CC1CCCN(CCOc2ccc(ON)c(C)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.51614314
12792,COc1ccccc1NOc1ccc(OCCNCc2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.19633953
12793,CSOc1ccc(OCCN2CCC(c3ccc(OCCF)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6481671
12794,CSc1cccc(CN2CCN(CCCCC(=O)c3nc4ccccc4s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62310344
12795,Cc1cc(OCCCS(=O)(=O)c2ccc(F)cc2)ccc1ON1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.12529927
12796,Cc1cc(OCCN2CCC(Cc3ccc4ccccc4c3)OC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.49627304
12797,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(c2ccc(CCF)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2563561
12798,N#CCc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74048215
12799,N#Cc1ccccc1N1CCN(CCN2CCC(F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82620865
12800,O=C(Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)C1CCCC1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41857818
12801,OCCCN1CCN(Cc2cccc(-c3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7109996
12802,Oc1cccc2c1CN1CCc3cc(ON=CCc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70312613
12803,Oc1ccccc1N1CCN(CCN2CCC(Oc3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7619519
12804,CC(=O)NCCOc1ccc(ONC2CC(C)Cc3ccccc32)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11972892
12805,CC(=O)NOc1ccc(OCCCCSc2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.048171416
12806,CC(=O)c1ccc(CNCCOc2ccc(OS(C)(=O)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07203818
12807,CC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccccc4)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7950978
12808,CCCOc1ccc(ON2CCC(c3ccc(F)cc3)CC2)c(N)c1,[*]CCOc1ccc(O[*])c([*])c1,0.45108128
12809,CCCOc1ccc(ON2CCCC(CCc3ccccc3)C2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.280041
12810,CCCOc1ccc(ON2CCCC(S(=O)(=O)c3ccccc3)C2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2513349
12811,CCCOc1ccc(ON2CCCN(c3ccccc3OC)CC2)c(NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32250124
12812,CCCOc1ccc(OOC)c(CCNc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11503985
12813,CCCOc1ccc(OOC)c(Nc2ccccc2OCC(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11812252
12814,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCC(c3ccc(OCC(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3063831
12815,CCCOc1ccc(OSC)c(NS(=O)(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.053105243
12816,CCOC1CCN(CCN2CCN(c3ccccc3-n3cc(-c4ccccc4)nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7354391
12817,CCOc1cc2ccccc2cc1-c1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58589673
12818,CCOc1cccc(NCCOc2ccc(ON=S(C)(=O)O)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03296116
12819,CCOc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3cccc(F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7895223
12820,CCc1ccccc1C1CCN(Cc2cc(OCCOC)ccc2OF)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.545951
12821,CNC(=O)CCOc1ccc(OC)c(N2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22265959
12822,COC1CCN(CCN2CCN(c3ccccc3-c3cc(O)nc4cc(O)ccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6824235
12823,COC1CCN(CCN2CCN(c3ccccc3-c3csc(-c4ccccn4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7813265
12824,CON=Cc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7066387
12825,COc1cc(C(=O)NCCN2CCN(c3ccccc3[N+](=O)[O-])CC2)ccc1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.67588735
12826,COc1cc2c(cc1CNc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4444756
12827,COc1cc2c(cc1Cl)CCN1Cc3c(Cc4ccc(N(C)C)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6317067
12828,COc1cc2c(cc1O)C1Cc3cccc(C(=O)Nc4cccc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.37090126
12829,COc1cc2c(cc1O)C1Cc3cccc(COCc4ccc(OC#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8054741
12830,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc5c(C#N)cccc5c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64709103
12831,COc1cc2c(cc1OC)C(=O)N(CCCCOc1ccc(OC)c(S(C)(=O)=O)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.30847812
12832,COc1cc2c(cc1OCCCCl)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69473374
12833,COc1ccc(C2CCN(Oc3ccc(OCCCS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.25565448
12834,COc1ccc(CC2CCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.5693007
12835,COc1ccc(OCCC(=O)COc2ccc(CF)cc2)cc1SC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.020358667
12836,COc1ccc(OCCF)cc1NS(=O)(=O)C(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.03460561
12837,COc1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1C=[SH](=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5285136
12838,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29801065
12839,COc1ccc(OCCS(C)(=O)=O)cc1COc1cccc(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12007068
12840,COc1ccc(OCCS(N)(=O)=O)cc1N1CCC(Cc2ccc3c(c2)CC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.30411217
12841,COc1ccc2ccc(C3CCN(CCN4CCN(c5ccccc5OC)CC4)CC3)nc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75518006
12842,COc1cccc(-c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84676963
12843,COc1cccc(CN2CCN(CCCn3c(=O)[nH]c4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5433507
12844,COc1cccc2c1CN1CCc3cc(C)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7261031
12845,COc1ccccc1C(=O)c1cc(C(=O)NCCN2CCN(C)CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26906067
12846,COc1ccccc1N1CCN(CCN2CCC(c3cc4ccc(C#N)cc4o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8035676
12847,COc1ccccc1N1CCN(CCN2CCC(c3ncc(Br)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78779894
12848,COc1ccccc1N1CCN(CCN2CCC(n3cnc4ccccc4c3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83951414
12849,Cc1cc(OCCF)ccc1ONC(=O)Cc1ccccc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.0161151
12850,Cc1cc(OCCN2CCCC(Cc3ccccc3)C2)ccc1OF,[*]CCOc1ccc(O[*])c([*])c1,0.46766096
12851,Cc1cc(OCCNC(=O)Cc2ccccc2)ccc1ON1CCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.030113824
12852,Cc1cc(OCCNC(=O)c2ccc(F)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.01767898
12853,Cc1cc(OCCNC2CCc3ccc(S(C)(=O)=O)cc3CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.24474628
12854,Cc1ccccc1N1CCN(CCN2CCC(Nc3nc4ccccc4s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5899187
12855,FCCCN1CCN(Cc2cccc(-c3ccc(F)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.73483205
12856,O=C1CCc2ccccc2N1CCCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.76102114
12857,O=C1Cc2ccccc2N1CCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70083374
12858,O=c1ccc2c(Oc3cccc(CN4CCN(CCCCl)CC4)c3)cccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54818726
12859,Oc1cc2c(cc1-c1ccc3[nH]ccc3c1)CCN1Cc3c(Br)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6585493
12860,Oc1cc2c(cc1CNc1ccccc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51378334
12861,Oc1cccc2c1CN1CCc3cc(C=NOCc4ccccc4Cl)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6948704
12862,CCCN1C(=O)CCCC12CCN(CCOc1ccc(ON)c(C)c1)C(=O)C2,[*]CCOc1ccc(O[*])c([*])c1,0.20175318
12863,CCCOc1ccc(OC)c(C=CN2CCCc3ccccc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32045448
12864,CCCOc1ccc(ON2CC=C(C(=O)O)CC2)c(CCOc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24614112
12865,CCCOc1ccc(ONC(C)=O)c(N2CCC(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21391205
12866,CCCOc1ccc(ONS(C)(=O)=O)c(CCOc2ccc3c(n2)NC(=O)CCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17387116
12867,CCCOc1ccc(OOC)c(C2CCc3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5039908
12868,CCCOc1ccc(OS(C)(=O)=O)c(C(=O)Nc2ccccc2OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.023046402
12869,CCCOc1ccc(OS(C)(=O)=O)c(N2CC3CCc4cc(C(N)=O)ccc4CC(CC3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22532809
12870,CCCOc1ccc(OS(C)(=O)=O)c(NC(C)c2ccc(C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.047216155
12871,CCCOc1ccc(OS(C)(=O)=O)c(NC2CC2CCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14954922
12872,CCCOc1ccc(Oc2cccc(C(C)C)n2)c(CN2CCN(C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4202774
12873,CCOc1ccccc1N1CCN(CCNC(=O)c2ccc(OC)c(C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.7765646
12874,CCc1ccc(OC2CCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.4899599
12875,CNC(=O)Cc1cc(OCCNCc2ccccc2)ccc1OSC,[*]CCOc1ccc(O[*])c([*])c1,0.08706897
12876,CNCCOc1ccc(ON2CCN(c3ccccc3OC(C)C)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38128302
12877,COC1CCN(CCN2CCN(c3ccccc3C3(O)CC4CCCC3CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64715546
12878,COC1CCN(CCN2CCN(c3ccccc3COc3ccc4c(c3)NC(=O)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76307654
12879,COOc1ccc(OCCNC(=O)COc2ccc(C(C)=O)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.013113683
12880,COOc1ccc(OCCNC(=O)Cc2ccc3c(c2)CC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.06842668
12881,COc1cc2c(cc1-c1cccc(C)c1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71634614
12882,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(C)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64173776
12883,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3cccc(OC(F)(F)F)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6499771
12884,COc1ccc(COC(=O)Nc2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.43462515
12885,COc1ccc(OCCC(C)C)cc1NS(=O)(=O)c1cc(Cl)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.0655189
12886,COc1ccc(OCCN2CCC(Oc3ccc(CC4CCCCC4)cc3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.46683833
12887,COc1ccc(OCCN2CCCCC2)cc1N1CCC(C(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.32491863
12888,COc1ccc(OCCN2CCN(c3ccccc3OC(C)C)CC2)cc1Br,[*]CCOc1ccc(O[*])c([*])c1,0.8855169
12889,COc1ccc(OCCNS(C)(=O)=O)cc1NS(=O)(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.09548218
12890,COc1ccc(OCCS(C)(=O)=O)cc1NCCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.09318793
12891,COc1ccc(OCC[SH](C)(=O)O)cc1N1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25415516
12892,COc1ccc(OCCc2nc3ccccc3n2Cc2ccc(F)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13060169
12893,COc1cccc(CN2CCN(CCCCNS(=O)(=O)c3cccc(OC)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57745236
12894,COc1cccc2c1CC(NC(=O)c1cccc(CN3CCN(CCCCl)CC3)c1)CC2,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56116164
12895,COc1cccc2c1CN1CCc3cc(-c4cccc(C#N)c4)c(Oc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6084368
12896,COc1cccc2c1CN1CCc3cc(C(=O)Nc4cccc5ccccc45)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.30204692
12897,COc1cccc2c1CN1CCc3cc(C(O)=Cc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67588556
12898,COc1ccccc1N1CCN(CCN2CCC(c3cc4cc(F)ccc4nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77454656
12899,COc1ccccc1N1CCN(CCN2CCC(c3ccc(Oc4ccc(F)cc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.736071
12900,COc1ccccc1N1CCN(CCN2CCC(n3c(O)nc4cc(Br)ccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8008543
12901,COc1ccccc1N1CCN(CCN2CCC(n3ccc(C=O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.877473
12902,COc1ccccc1NC1CCN(CCOc2ccc(ONS(=O)(=O)O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.40624738
12903,CS(=O)(=O)NOc1ccc(OCCF)cc1CCCOc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.21982384
12904,CSc1ccc(C2CCN(CCCOc3ccc(ON=S(C)(=O)O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.6552485
12905,Cc1cc(OCCC=[SH]O)ccc1ON1CC=C(OCc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23725657
12906,Cc1cc(OCCCCCc2ccccc2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10761406
12907,Cc1cc(OCCCCCc2ccccc2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10815723
12908,Cc1cc(OCCCN=S(C)(=O)O)ccc1ON1CCC(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.15731603
12909,Cc1cc(OCCCSc2ccccc2C(C)C)ccc1ONC(=O)C1CCCN1,[*]CCOc1ccc(O[*])c([*])c1,0.08067858
12910,Cc1cc(OCCN2CCCC(Cc3cccs3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3876705
12911,Cc1cc(OCCNC(=O)c2ccc(F)cc2)ccc1OCN1CCC(C(=O)O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.26680034
12912,Fc1cccc(CN2CCN(CCCN=C3COc4ccccc4N3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64550847
12913,Fc1cccc(CN2CCN(CCCc3cc(-c4cccs4)no3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6511475
12914,O=C1NCCc2cc(-c3cccc(CN4CCN(CCCF)CC4)c3)ccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.728987
12915,O=c1ccccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5678138
12916,Oc1c2ccccc2cn1C1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8095102
12917,CC(=O)NOc1ccc(OCCCNCc2ccc(Cl)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.07416407
12918,CC(C)c1ccccc1N1CCN(CCN2CCC(C(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7112998
12919,CCCCn1cc(CCOc2ccc(OOC)c(C)c2)nn1,[*]CCOc1ccc(O[*])c([*])c1,0.09690193
12920,CCCOc1ccc(OC)c(N2CCC(NC(=O)c3ccc(SC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16684686
12921,CCCOc1ccc(ON)c(N2CCN(c3ccccc3C(C)=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15647079
12922,CCCOc1ccc(ONS(C)(=O)=O)c(CCCCc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25180602
12923,CCCOc1ccc(OOC)c(CNCC(C)c2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17901005
12924,CCCOc1ccc(OOC)c(N2CCCN(c3ccc(Br)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2881698
12925,CCCOc1ccc(OS(C)(=O)=O)c(CCCc2ccccc2OC2CCCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24275771
12926,CCCOc1ccc(OS(C)(=O)=O)c(OC2CCCc3ccc(CC4CCCCC4)cc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32893315
12927,CCCOc1ccc(OSC)c(C=Cc2ccc(OCC(C)=O)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.044962637
12928,CCCOc1ccc(OSC)c(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3849703
12929,CCOc1ccccc1OCCCOc1ccc(OOS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.097759336
12930,CCc1ccc(Cl)cc1NS(=O)(=O)c1cc(OCCF)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.11650374
12931,COC(=O)[N+](=O)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47604433
12932,COC1CCN(CCN2CCN(c3ccccc3-n3cc(Br)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7452652
12933,COC1CCN(CCN2CCN(c3ccccc3CC(=O)c3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78134453
12934,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccc(-c4ccccn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.43904617
12935,COCCCN1CCN(Cc2cccc(-c3cc4ccccc4cn3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58646786
12936,COCCOc1ccc(OC2CCN(Cc3ccccc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5305661
12937,COCCOc1ccc(OCNc2cccc3ccc(F)cc23)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.058775343
12938,COc1cc2c(cc1NCCO)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56442857
12939,COc1cc2c(cc1O)C1Cc3cccc(CN(C)Cc4ccc(CO)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7820667
12940,COc1cc2c(cc1O)C1Cc3cccc(N[N+](=O)c4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42631528
12941,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccccc4[N+](=O)[O-])cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5127057
12942,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(CO)c5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.631133
12943,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)c4ccc5ccc(C#N)cc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41935766
12944,COc1cc2c(cc1OC)C1Cc3cccc(CS(=O)(=O)c4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5260634
12945,COc1ccc(OCCCCOc2cccc(C(F)(F)F)c2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.0986258
12946,COc1ccc(OCCCS(C)(=O)=O)cc1N1CCC(Cc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.37716037
12947,COc1ccc(OCCN2CCC(Oc3ccccc3C)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.49962705
12948,COc1ccc(OCCN2CCC(c3ccc(S(C)(=O)=O)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.66743606
12949,COc1ccc(OCCN2CCCC(S(=O)(=O)c3cccc(C(F)(F)F)c3)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.40620744
12950,COc1ccc(OCCNC(=O)c2cccs2)cc1N1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.34599444
12951,COc1ccc(OCCNS(C)(=O)=O)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.07427604
12952,COc1ccc(OCCS(C)(=O)=O)cc1CCOc1cc2c(cc1F)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.1833895
12953,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(c2csc3ccccc23)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25500923
12954,COc1ccc2ccc(C(=O)NC3CCN(CCN4CCN(c5ccccc5OC)CC4)CC3)cc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85242295
12955,COc1cccc(CN2CCN(CCCC(=O)N3c4ccccc4C3(C)C)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5360576
12956,COc1cccc(CN2CCN(CCCCNC(=O)C3(C)CCCCC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.43188038
12957,COc1cccc(CN2CCN(CCCn3oc4ccccc4c3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59578514
12958,COc1cccc2c1CN1CCc3cc(Cc4ccccc4Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7168093
12959,CSOc1ccc(OCCN2CCC(Oc3cccc(C(C)=O)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.46373945
12960,Cc1cc(OCCN2CCC(=O)C(Cc3ccc(F)cc3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4157924
12961,Cc1cc(OCCNCCOc2ccc3c(c2)NC(=O)CC3)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.21111615
12962,Cc1cc(OCCNCCc2ccc3c(c2)C(=O)CC3)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.17252983
12963,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(Cc2ccc3c(c2)OCCN3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.15361823
12964,Cc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccccc3C#N)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5558108
12965,Cc1ccc(C(=O)NCCN2CCN(Cl)CC2)cc1-c1ccc(Cl)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27716908
12966,Cc1cccc2c1CN1CCc3cc(-c4ccccc4F)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54776084
12967,Fc1ccc(-c2ccc(CCCCN3CCN(Cc4cccc(Cl)c4)CC3)o2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7256886
12968,Fc1ccc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)nn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8262042
12969,O=C(Nc1cccc2ccccc12)c1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.31090665
12970,O=C1CC2(CCCC2)C(=O)N1CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5803776
12971,O=C1CSc2ccc(CCCN3CCN(Cc4cccc(C(F)(F)F)c4)CC3)cc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62802494
12972,O=[N+]([O-])c1ccccc1N1CCN(CCN2CCC(c3ncccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6032902
12973,O=c1oc(-c2cccc(CN3CCN(CCCCl)CC3)c2)cc2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6253671
12974,O=c1oc2ccccc2n1-c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6767755
12975,CC(=O)Nc1cccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.29897505
12976,CC(C)Oc1ccccc1N1CCN(CCN2CCC(N[N+](=O)c3cccc(Cl)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7232996
12977,CCCN1CCC(c2cc(OCCC(N)=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.53839177
12978,CCCOc1ccc(OCF)c(CCN2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.85518867
12979,CCCOc1ccc(OOC)c(CNC(=O)c2ccc3c(c2)CC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13713193
12980,CCCOc1ccc(OS(C)(=O)=O)c(OC(=O)CCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06481581
12981,CCCOc1ccc(OSC)c(N2CCCC(CC(=O)c3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16354461
12982,CCCOc1ccc(Oc2ccccc2OCCF)c(NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.051733732
12983,CCOC(=O)NCc1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42720318
12984,CCOCCCOc1ccc(OCOCCN2CCN(c3ccccc3OC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.76979434
12985,COC1=CC=C2C=C(CC1)C(CCCNc1cc(OCCS(N)(=O)=O)ccc1OC)C2,[*]CCOc1ccc(O[*])c([*])c1,0.21439858
12986,COC1CCN(CCN2CCN(c3ccccc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7499429
12987,COCC(C)CCOc1ccc(ONS(=O)(=O)Cc2ccc(SC)cc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06791079
12988,COCCCN1CCN(Cc2cccc(-c3cc4cccccc-4n3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56922793
12989,COCCOc1ccc(ON2CCC(c3ccccc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38203016
12990,COOc1ccc(OCCNCc2cccs2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.15110482
12991,COc1cc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)ccc1[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.9184901
12992,COc1cc2c(cc1-c1ccc(O)c(C)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7578624
12993,COc1cc2c(cc1C(=O)N(C)C)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61430246
12994,COc1cc2c(cc1C(F)(F)F)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.617378
12995,COc1cc2c(cc1Cc1cccnc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6777401
12996,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(O)Cc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6918028
12997,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccccn4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.677801
12998,COc1cc2c(cc1OC)C1Cc3cccc(OC(=O)c4cccc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46819347
12999,COc1ccc(COc2cc3c(cc2OC)C2Cc4cccc(COc5ccccc5)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7319642
13000,COc1ccc(Nc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46769503
13001,COc1ccc(OCCC(=O)CCCc2ccc(F)cc2)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.050155617
13002,COc1ccc(OCCCCNC(=O)c2ccc(F)cc2)cc1NC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.041554153
13003,COc1ccc(OCCCN)cc1-c1ccccc1OCCF,[*]CCOc1ccc(O[*])c([*])c1,0.15128936
13004,COc1ccc(OCCCS(C)(=O)=O)cc1CS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06344668
13005,COc1ccc(OCCF)cc1N1CCN(CS(=O)(=O)c2cccc(C(C)C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.49545354
13006,COc1ccc(OCCN2CCCC(Cc3ccc(F)cc3)C2)cc1[SH]=O,[*]CCOc1ccc(O[*])c([*])c1,0.44933802
13007,COc1ccc(OCCS(C)(=O)=O)cc1C1CCC(Cc2ccc(OC3CCC(=O)NC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18080284
13008,COc1ccc(OCCS(C)(=O)=O)cc1N1CC2CCc3ccccc3C(CC2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.34959716
13009,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(c2ccc(CCCF)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28303522
13010,COc1cccc(C2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.92171687
13011,COc1cccc(CN2CCN(CCCC(=O)c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5788431
13012,COc1cccc(CN2CCN(CCCCOc3ccc4oc(=O)ccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62839323
13013,COc1cccc2c1CN1CCc3cc(COC(F)(F)F)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6776576
13014,COc1ccccc1C1CCCC1NCCOc1ccc(ONS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16670662
13015,COc1ccccc1CC1CCCN(c2cc(OCCC(N)=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18915418
13016,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccccc3-c3ccccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83776176
13017,CSC1CCN(CCN2CCN(c3ccccc3-c3cc(O)nc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7054389
13018,CSOc1ccc(OCCN2CCCC(Cc3ccc4ccccc4c3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.44500965
13019,Cc1cc(OCCN2CCCC(Oc3ccccc3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4379047
13020,Cc1cc(OCCNC(=O)COc2ccc3c(c2)CC(C)CC3)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.14856577
13021,Cc1cc(OCCOS(C)(=O)=O)ccc1ON1CCC(Oc2ccc(CC3CCCCC3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.18262373
13022,Cc1cc2c(cc1NC(=O)CNc1c(Cl)cccc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.2581107
13023,Cc1cccc(CN2CCN(CCCc3ccc(-c4ccccc4)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55781835
13024,Clc1ccccc1N1CCN(CCN2CCC(c3cccs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83110666
13025,O=C(NCc1ccccc1Cl)c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44236782
13026,O=C1c2ccccc2S(=O)(=O)N1Cc1cccc(CN2CCN(CCCOC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65463406
13027,OCCCN1CCN(Cc2cccc(-c3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.74368
13028,Oc1cc2ccccc2n1-c1ccccc1N1CCN(CCN2CCC(C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7707861
13029,Oc1ccc2ccc(Oc3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)nc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71810895
13030,Oc1nc2cc(-c3cccc(CN4CCN(CCCCl)CC4)c3)ccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68827075
13031,CC(=O)c1ccc(CC2CCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.43837178
13032,CCCCn1cc(Cc2cc(OCCc3ccc(F)cc3)ccc2OOC)nn1,[*]CCOc1ccc(O[*])c([*])c1,0.09892551
13033,CCCOc1ccc(OCCCOc2ccccc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16475227
13034,CCCOc1ccc(OCN2CCN(c3ccccc3OCC)CC2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6105126
13035,CCCOc1ccc(ON2CCC(c3cccc(OC)c3)CC2)c(OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33816588
13036,CCCOc1ccc(OOC)c(N2CCC(Oc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.407598
13037,CCCOc1ccc(OSC)c(N2CCC(c3coc(OCC)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3262505
13038,CCCOc1ccc(O[SH](C)(N)=O)c(N2CCC(Oc3ccccc3C(C)C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29544348
13039,CCOC(=O)c1cccc2c1CN1CCc3cc(OCc4ccccc4)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44366837
13040,CCc1ccc(OC2CCN(Oc3ccc(OCCN=S(C)(=O)O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.1514544
13041,CNC(=O)CCOc1ccc(ONCCc2ccccc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.020628123
13042,CNC(=O)Oc1ccc(OCCNCc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.15784854
13043,CNCCOc1ccc(OC)c(N2CCC(c3ccccc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31603995
13044,COC(=O)[N+](=O)c1ccc(COc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46453276
13045,COCCCN1CCN(Cc2cccc(CC(=O)N3c4ccccc4CC3C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6920398
13046,COOc1ccc(OCCN2CCC(c3cccc(OC)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.7364864
13047,COc1cc(C)ccc1CC(=O)Nc1cc(OCCCS(C)(=O)=O)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.013724003
13048,COc1cc2c(cc1O)CCN1Cc3c(CNOC(C)(C)C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.709435
13049,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)NCc3ccc4ccccc4c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51666516
13050,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(CC(F)(F)F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7110063
13051,COc1cc2c(cc1OC)C1Cc3cccc(C4CCCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.706595
13052,COc1ccc(F)cc1S(=O)(=O)NCCOc1ccc(ONCC2CCN(C)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33973756
13053,COc1ccc(OCCCCC2CCc3ccccc3C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3592082
13054,COc1ccc(OCCCCNC(=O)c2ccc(CCCF)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.060129806
13055,COc1ccc(OCCCN(C)C)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.76971275
13056,COc1ccc(OCCNC(=O)Cc2ccc3c(c2)NC(=O)CC3)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08455325
13057,COc1ccc(OCCNC(=O)c2ccc3ccccc3c2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.033726424
13058,COc1ccc(OCCNC=O)cc1CNC(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.04321846
13059,COc1ccc(OCCNS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.04832459
13060,COc1ccc(OCCOS(C)(=O)=O)cc1N1CCCC(Cc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.24141906
13061,COc1ccc(OCCS(N)(=O)=O)cc1N1CCC(Oc2ccc(C)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2210109
13062,COc1ccc(OCCc2cc(C3CCC(C)CC3)no2)cc1CN1CCC(C(=O)O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3288219
13063,COc1cccc(CN2CCN(CCCCCc3cc(C)cc(=O)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6887437
13064,COc1cccc(CN2CCN(CCCCNC(=O)C3CCc4ccccc4C3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6107128
13065,COc1cccc(CN2CCN(CCCc3cc(-c4ccc(F)cc4)no3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7000137
13066,COc1cccc2c1CN1CCc3cc(NC(=O)Oc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3755502
13067,COc1ccccc1N1CCN(CCN2CCC(C(F)(F)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8395153
13068,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(O)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8649018
13069,COc1ccccc1N1CCN(CCN2CCC(Oc3ccc4c(O)nc5ccccc5c4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78881097
13070,COc1ccccc1N1CCN(CCN2CCC(c3ccccc3-c3cccc(F)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8278764
13071,CSOc1ccc(OCCN2CCC(NS(=O)(=O)c3cccc(Cl)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.69043183
13072,CSc1ccc(CNCCOc2ccc(ON(C)S(C)(=O)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.11705419
13073,Cc1cc(OCCN=S(C)O)ccc1ON1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27010533
13074,Cc1cc(OCCNC(=O)CCc2ccccc2)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.027979534
13075,Cc1cc(OCCNC(=O)c2ccc(F)c(S(N)(=O)=O)c2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.012453975
13076,Cc1cc(OCCNCCc2ccc3c(c2)CCC(=O)N3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16254918
13077,Cc1cc(OCCNS(=O)(=O)c2ccc(C(C)C)cc2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.047423564
13078,Cc1ccc(C(=O)NCCN2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.62682754
13079,N#Cc1ccnc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.602285
13080,O=C(N=CC1CCCCC1)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5748608
13081,O=C(Nc1ccccc1Cl)Oc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3201716
13082,O=C1C=CC=C1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6909977
13083,O=C1c2ccccc2CN1c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74539536
13084,O=[N+]([O-])c1ccc(Cc2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50867575
13085,Oc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4cccc(F)n4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7463087
13086,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77604926
13087,CC1Cc2ccccc2N1Cc1cccc(CN2CCN(CCCOC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68323493
13088,CCCCc1ccccc1-c1cc(OCCF)ccc1ONC=O,[*]CCOc1ccc(O[*])c([*])c1,0.11643958
13089,CCCOc1ccc(OCN2CCC(c3ccccc3OC)CC2)c(NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5422176
13090,CCCOc1ccc(ON2CCCC(OC(C)=O)C2)c(-c2ccc(OC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16670965
13091,CCCOc1ccc(ON2CCN(c3ccccc3C(C)C)CC2)c(OC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15409243
13092,CCCOc1ccc(ONC)c(CN2CCN(C(C)c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34543872
13093,CCCOc1ccc(OS(C)(=O)=O)c(Cn2cccc2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10304466
13094,CCCOc1ccc(OS(C)(=O)=O)c(NCC2CCCc3ccc(OC)cc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33311555
13095,CCOC(=O)NCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44830716
13096,CCOc1cccc(Oc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69818234
13097,CCSc1ccc(C2CCN(CCOc3ccc(OC)c(C(C)=O)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.54013914
13098,CN(C)c1cc(OCCNCCc2ccc(F)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13705899
13099,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3cc4ccc(O)cc4[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67762786
13100,COC1CCN(CCN2CCN(c3ccccc3Cc3ccc(Br)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7153726
13101,COCCCN1CCN(Cc2cccc(CCNC(=O)C3CC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.45526466
13102,COCCCN1CCN(Cc2cccc(N3C(=O)CCc4ccccc4C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.73254675
13103,COCCOc1ccc(OC)c(CNC(=O)c2ccc(C=O)o2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.023375534
13104,COCCOc1ccc(OCF)c(CN2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.800555
13105,CON1CCN(CCNC(=O)c2ccc(-c3ccc(C)cc3)c(C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.14817528
13106,COOc1ccc(OCCC=O)cc1N1CCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25590074
13107,COOc1ccc(OCCCS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.0390076
13108,COOc1ccc(OCCN2CCC(Oc3ccc(C(C)=O)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.42487973
13109,COOc1ccc(OCCN2CCN(c3ccc(C(C)(C)C)cc3)C2=O)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.33273962
13110,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1cccc(Cl)c1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.28353903
13111,COc1cc2c(cc1N(C)C)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7533733
13112,COc1cc2c(cc1O)CCN1Cc3c(CCO)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.87858015
13113,COc1cc2c(cc1OCc1cccc(C)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7087279
13114,COc1ccc(C(=O)NCCN2CCN(c3cccc(C)c3OC)CC2)cc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.75770503
13115,COc1ccc(OCCCC(C)c2ccccc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.083251886
13116,COc1ccc(OCCCNC(=O)c2ccc(C(C)C)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.025212834
13117,COc1ccc(OCCCSC2C(=O)CCc3ccc(CC(F)(F)F)cc32)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2193074
13118,COc1ccc(OCCF)cc1OC1CCN(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.55384946
13119,COc1ccc(OCCNCCc2ccc3c(c2)CC(C(C)=O)CC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.22777854
13120,COc1ccc(OCCNCc2ccc3c(c2)NC(=O)CC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16706358
13121,COc1ccc(OCCNS(=O)(=O)c2ccc(F)cc2)cc1N(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06413344
13122,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(O)CC2)cc1C=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2670406
13123,COc1ccccc1N1CCCN(Oc2ccc(OCCF)cc2SC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.36043254
13124,COc1ccccc1S(=O)(=O)NOc1ccc(OCCF)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.09582686
13125,Cc1cc(C2CCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)CC2)no1,[*]CCOc1ccc(O[*])c([*])c1,0.6418961
13126,Cc1cc(OCCF)ccc1ON1CCN(CC(=O)N2c3ccccc3CC2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4842644
13127,Cc1cc(OCCN2CCC(CCc3ccccc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5370806
13128,Cc1cc(OCCN2CCC(Cc3ccccc3N)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.53352356
13129,Cc1cc(OCCN2CCN(CCc3ccc(F)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.38314494
13130,Cc1cc(OCCNS(C)(=O)=O)ccc1OCC(=O)COc1ccc(C(F)(F)F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.019030655
13131,Cc1cc(OCCS(C)(=O)=O)ccc1ONc1ccccc1OCC(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.025658702
13132,Cc1ccc(C2CCCN(Oc3ccc(OCCN=S(C)(=O)O)cc3C)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.15348527
13133,Cc1ccccc1-c1cc(C(=O)NCCN2CCN(Cl)CC2)ccc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.28804418
13134,Cc1ccccc1N1CCN(CCN2CCC(c3ccc(F)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70756084
13135,Cc1ccccc1N1CCN(CCN2CCC(c3ncccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6834837
13136,ClC1CCN(CCN2CCN(c3ccccc3-c3ccc(Br)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7990482
13137,N#Cc1ccccc1N1CCN(CCN2CCC(n3cc(F)cnc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8269345
13138,O=C(C=Cc1ccccc1)NCc1cccc(CN2CCN(CCCO)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58976525
13139,O=C(NCc1ccccc1)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48560312
13140,O=C(Nc1cccc2ccccc12)Oc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34203357
13141,Oc1c2ccccc2cn1CCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6562615
13142,Oc1cccc2c1CN1CCc3cc(-c4ccc(OCc5ccccc5)cc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69439393
13143,Oc1ncc(-c2ccc(F)cc2)n1C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7980369
13144,C=CCc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71779585
13145,C=Cc1ccc(CCCCN2CCN(Cc3cccc(OC)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7397683
13146,CC1=CS(=O)(=O)N(c2cccc(CN3CCN(CCCCl)CC3)c2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63816553
13147,CC1CCN(CCN2CCN(c3ccccc3Oc3ccc4[nH]c(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7507082
13148,CCCC(=O)c1cc2c(cc1O)C1Cc3cccc(OCc4ccc(OC)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54011256
13149,CCCC1CCN(CCOc2ccc(ON)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6580731
13150,CCCOc1ccc(OCCNC(=O)c2cccc(OC)n2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04085937
13151,CCCOc1ccc(OCN2CCN(c3ccccc3OCC)CC2)c(OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5700385
13152,CCCOc1ccc(ON)c(CN2CCC(c3cccc(C(F)(F)F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.57340837
13153,CCCOc1ccc(ON=S(C)(=O)O)c(CCOc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.062355734
13154,CCCOc1ccc(OS(C)(=O)=O)c(CCCc2ccc3ccccc3n2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11345186
13155,CNCCOc1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67362034
13156,COCc1cccc2c1CN1CCc3cc(CO)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8042067
13157,CON1CCN(CCNC(=O)c2ccc(C)c(-c3ccccc3O)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31926343
13158,COOc1ccc(OCCN2CCC(CNC(=O)c3ccc(F)cc3)C2=O)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.16717616
13159,COOc1ccc(OCCN2CCN(c3cccc(OC)c3OC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.73299015
13160,COc1cc2c(cc1CN(C)CCc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7546713
13161,COc1cc2c(cc1CN(C)Cc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75870997
13162,COc1cc2c(cc1O)C1Cc3cccc(CCNC(=O)c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46754602
13163,COc1cc2c(cc1O)CCN1Cc3c(cccc3OC(=O)Nc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.37026682
13164,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)[N+](C)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4986869
13165,COc1cc2c(cc1OC)C1Cc3cccc(OC(=O)OC(C)(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52652
13166,COc1cc2c(cc1OC)C1Cc3cccc(OS(=O)(=O)Cc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71489024
13167,COc1cc2c(cc1OCC(C)NCCOc1ccc(ON=S(C)(=O)O)c(C)c1)CCC2,[*]CCOc1ccc(O[*])c([*])c1,0.1115562
13168,COc1ccc(-c2cccc3c2CN2CCc4cc(O)c(C)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5946145
13169,COc1ccc(C(=O)NCCN2CCN(COc3ccccc3)CC2)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.23394915
13170,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccccc1Br,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35921553
13171,COc1ccc(OCCCN=S(C)(=O)O)cc1CNc1ccccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.060840804
13172,COc1ccc(OCCCS(N)(=O)=O)cc1CCCc1ccc2c(c1)CC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.21820858
13173,COc1ccc(OCCF)cc1CN1CCN(S(=O)(=O)c2ccccc2C(C)C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22793889
13174,COc1ccc(OCCN(C)C)cc1CF,[*]CCOc1ccc(O[*])c([*])c1,0.20140243
13175,COc1ccc(OCCN2CCN(c3ccccc3C)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.72461027
13176,COc1ccc(OCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.8900705
13177,COc1ccc(OCCN=S(C)(C)=O)cc1NCCc1ccc2c(c1)CCC(C)N2,[*]CCOc1ccc(O[*])c([*])c1,0.26328912
13178,COc1ccc(OCCNC(=O)Cc2cccc(F)c2)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.60545367
13179,COc1ccc(OCCNC(=O)Cc2cccc(N3CCN(C)CC3)c2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.20621775
13180,COc1cccc(CN2CCN(CCCC3=Cc4ccccc4C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5269019
13181,COc1cccc(NC(=O)C2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69911146
13182,COc1ccccc1N1CCN(CCN2CCC(C=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9161564
13183,COc1ccccc1N1CCN(CCN2CCC(c3ccc(C)c(C)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78025913
13184,COc1ccccc1N1CCN(CCN2CCC(c3ccc(F)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.86561406
13185,COc1ccccc1N1CCN(c2cc(OCCC(N)=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22569293
13186,CS(=O)(=O)Oc1cccc(CN2CCN(CCCCc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6629301
13187,CSc1ccc(C(=O)NOc2ccc(OCCCF)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.029893583
13188,Cc1cc(OCCCC(=O)NC2CCC(O)(Cc3ccccc3)C2)ccc1OF,[*]CCOc1ccc(O[*])c([*])c1,0.038063012
13189,Cc1cc(OCCF)ccc1OCN1CCN(c2ccccn2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5091857
13190,Cc1cc(OCCN2CCc3cc(CC4CCCS4)ccc3C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.43380195
13191,Cc1cc(OCCNC2CCC(NS(=O)(=O)c3ccc(F)c(F)c3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.13712685
13192,Cc1cc(OCCNCc2ccccc2)ccc1OBr,[*]CCOc1ccc(O[*])c([*])c1,0.30494636
13193,Cc1cc(OCCNS(C)(=O)=O)ccc1OCN1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3818703
13194,Cc1ccccc1OCCCCOc1ccc(OOS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10114112
13195,ClCCCN1CCN(Cc2cccc(-c3nccs3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70722073
13196,Clc1ccccc1N1CCN(CCN2CCC(c3cccnc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8338308
13197,Clc1ccccc1N1CCN(CCN2CCC(c3cccnn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8623068
13198,O=C(NCCN1CCN(F)CC1)c1ccc(F)c(-c2cccc3ccc(O)nc23)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.4187947
13199,O=S1(=O)Cc2ccccc2N1CCCCN1CCN(Cc2cccc(OC(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60725445
13200,OCc1ccc(Br)cc1-c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6136207
13201,Oc1cc2c(cc1CON=Cc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6309956
13202,Oc1ccc2cccc(Oc3ccccc3N3CCN(CCN4CCC(C(F)(F)F)CC4)CC3)c2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69149935
13203,CC(=O)NOc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCC4)SC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.40133843
13204,CCCC1CCN(CCOc2ccc(OOC)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6069614
13205,CCCOc1ccc(OF)c(N2CCCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2660545
13206,CCCOc1ccc(OF)c(N2CCN(C(=O)OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03922334
13207,CCCOc1ccc(ON2CCN(C(C)=O)CC2)c(-c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09761032
13208,CCCOc1ccc(OS(C)(=O)=O)c(OC2CCN(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30392936
13209,CCCOc1ccc(OS(C)(=O)=O)c(OC2CCc3ccc(SCC4CCCCC4)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33902726
13210,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3359204
13211,CCCOc1ccc(OSC)c(N2CCC(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3256133
13212,CCNCc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7008902
13213,CCOc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cnc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7509543
13214,CCc1cccc(Cc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71460843
13215,CN1CCN(CCNC(=O)c2ccc(Cl)c(-c3ncccn3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35036823
13216,COC1CCN(CCN2CCN(c3ccccc3-c3ccc4nc(O)cnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67132294
13217,COC1CCN(CCN2CCN(c3ccccc3-c3noc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73176926
13218,COCCCN1CCN(Cc2cccc(-c3cccc4c3OCO4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51310533
13219,COc1cc(CN2CCN(Oc3ccc(OCCF)cc3C)CC2)ccc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.45975313
13220,COc1cc2c(cc1-c1ccc(CN(C)C)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71668166
13221,COc1cc2c(cc1CO)CCN1Cc3c(CCc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73645633
13222,COc1cc2c(cc1O)C1Cc3cccc(C(N)CCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77758235
13223,COc1cc2c(cc1O)C1Cc3cccc(CCNCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6654739
13224,COc1cc2c(cc1O)CCN1Cc3c(CCc4ccc5ccccc5c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7800049
13225,COc1cc2c(cc1OCc1ccc(CO)cc1)CCN1Cc3c(CO)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7295439
13226,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(cccc3C(=O)COc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40893608
13227,COc1ccc(OCCCC(=O)Cc2ccc3c(c2)NC(=O)CC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.23041701
13228,COc1ccc(OCCF)cc1CN1CCC(S(=O)(=O)c2cccc(Cl)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.54036874
13229,COc1ccc(OCCN2CCC(c3ccccc3F)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.6962221
13230,COc1ccc(OCCN2CCN(C(=O)Cc3ccc4ccccc4c3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.19545761
13231,COc1ccc(OCCNC(=O)CCCc2ccccc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.03184553
13232,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1OS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.019669408
13233,COc1ccc(OCCNCc2cccc3ccccc23)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.21129644
13234,COc1ccc(OCCOC(=O)CCc2ccccc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.061390854
13235,COc1ccc(OCCS(C)(=O)=NO)cc1N1CCC(Oc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22616605
13236,COc1ccc(OCCS(C)(=O)=O)cc1C(F)Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.08281958
13237,COc1ccc(OCCS(C)(=O)=O)cc1C(O)COc1ccc2c(c1)CCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.15875502
13238,COc1ccc(OCCS(N)(=O)=O)cc1N1CCC(c2ccc(OC(C)C)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.26477
13239,COc1ccc2oc(CCCCN3CCN(Cc4cccc(F)c4)CC3)cc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65231687
13240,COc1cccc(COCc2cc3c(cc2OC)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73271847
13241,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(C)CC2)cc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32833102
13242,COc1ccccc1N1CCN(CCN2CCC(CNC(=O)C#Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7876325
13243,COc1ccccc1N1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.84763974
13244,Cc1cc(OCCN2CCCC(Cc3ccc(OC4CCCC4)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5359307
13245,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(Cc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.18158804
13246,Cc1cc(OCCNCc2ccc(F)cc2)ccc1OS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.10330024
13247,Cc1cc(OCCNS(=O)(=O)c2ccccc2)ccc1ON1CCC2(CC1)NCNC2=O,[*]CCOc1ccc(O[*])c([*])c1,0.17313336
13248,Cc1cc(OCCNS(=O)(=O)c2ccccc2F)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.09547177
13249,Cc1cc(OCCNS(C)(=O)=O)ccc1OCN1CCC(c2ccc(S(C)(=O)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.37563813
13250,N#CC1CCN(CCN2CCN(c3ccccc3-c3ncc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8723501
13251,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)N1C(=O)c2ccccc2C1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5840496
13252,O=C(NC1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1)c1ccccc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8212515
13253,O=C(NCCN1CCN(F)CC1)c1ccc(F)c(-c2cccc(Br)c2)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3651966
13254,O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3404122
13255,O=C1CCc2ccccc2N1Cc1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68390244
13256,O=S(=O)(c1cc(OCCN2CCCCC2)ccc1ON1CCCCC1)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.30214432
13257,O=S(=O)(c1ccccc1)C1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7024081
13258,O=c1oc2ccccc2cc1CCCN1CCN(Cc2cccc(CF)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69739336
13259,C=COc1ccccc1-c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61081564
13260,CCC(=O)N1CCC(CCOc2ccc(OC)c(CNC(C)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.11272572
13261,CCC(=O)Nc1ccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.2626473
13262,CCCCc1ccc(F)cc1CCOc1ccc(ON2CCOCC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18501817
13263,CCCOc1ccc(OC(C)COc2ccc(F)cc2)c(C(=O)NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.033145986
13264,CCCOc1ccc(OC)c(N2CCCC(Cc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31870985
13265,CCCOc1ccc(OCCCN2CCC(c3ccccc3F)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7095835
13266,CCCOc1ccc(OF)c(NC2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37723202
13267,CCCOc1ccc(ONC)c(CN2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.821386
13268,CCCOc1ccc(OOS(C)(=O)=O)c(N2C(=O)CCc3ccc(OCC4CCC4)cc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23638017
13269,CCCOc1ccc(OSC)c(Oc2cc(F)ccc2CC2CCCNC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29596516
13270,CCCc1cn(Oc2ccc(OCCOC)cc2CN2CCN(c3ccccc3OC)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.7170315
13271,CCNC(=O)c1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49198136
13272,CCNCC(=O)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.31574458
13273,CCOc1ccc(CCOc2ccc(OS(C)(=O)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06534869
13274,CNC(=O)c1cccc(C2CCN(Oc3ccc(OCCOC)cc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14849705
13275,CNSOc1ccc(OCCN2CCC(Oc3ccc(C(C)=O)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.38229334
13276,COC1CCN(CCN2CCN(c3ccccc3N=CC3NCc4ccccc4N3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6834345
13277,COCCOc1ccc(OC)c(N2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3807459
13278,COCCOc1ccc(OOC)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8196141
13279,COOc1ccc(OCCN2CCCC(Oc3ccc4ccccc4c3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.4617782
13280,COOc1ccc(OCCNS(=O)(=O)c2ccccc2OC)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.08274071
13281,COc1cc2c(cc1C=O)C1Cc3cccc(Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7047738
13282,COc1cc2c(cc1NC(=O)c1c[nH]c3ccccc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36086056
13283,COc1cc2c(cc1O)C1Cc3cccc(N(C)CCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8245167
13284,COc1cc2c(cc1O)CCN1Cc3c(Cc4c[nH]c5ccc(CO)cc45)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65040296
13285,COc1cc2c(cc1O)CCN1Cc3c(cccc3NC(=O)Cc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.20781858
13286,COc1cc2c(cc1OC(=O)c1ccccc1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38893217
13287,COc1ccc(OCCC=Cc2ccc(F)cc2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.108056374
13288,COc1ccc(OCCCN=S(C)(=O)O)cc1N1CCC(Oc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5023228
13289,COc1ccc(OCCN2CCC(C3CCc4c(cccc4SC)C3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4316919
13290,COc1ccc(OCCN2CCC(F)CC2)cc1NC(=O)S(=O)(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.35903427
13291,COc1ccc(OCCN2CCC(OC(C)=O)CC2)cc1NS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.32064155
13292,COc1ccc(OCCNCCc2ccccc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.23409827
13293,COc1ccc(OCCNS(=O)(=O)Cc2ccc(F)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.09998171
13294,COc1ccc(OCCS(C)(=O)=O)cc1OCCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.119155355
13295,COc1cccc(CN2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6068719
13296,COc1cccc(CN2CCN(CCCc3ccc4cc(C(N)=O)sc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.40224132
13297,COc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3cc4ccccc4ccc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7958813
13298,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cc4ccccc4nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87734693
13299,COc1ccccc1N1CCN(CCN2CCC(c3ccnc4cccn34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7409032
13300,COc1ccccc1N1CCN(CCNC(=O)c2ccc(S(=O)(=O)O)c(OC)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.8058253
13301,CSOc1ccc(OCCN2CCN(Cc3coc4ccccc34)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5905699
13302,Cc1cc(OCCC(O)CCc2ccc3c(c2)NC(=O)CC3)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.14669317
13303,Cc1cc(OCCCCOc2ccc3c(c2)NC(=O)CC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.20453738
13304,Cc1cc(OCCN2CCC(Cc3ccc(F)cc3)CC2)ccc1ONS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.59711266
13305,Cc1cc(OCCN2CCC(NS(=O)(=O)c3cc(F)ccc3F)C2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.64743924
13306,Cc1cc(OCCS(C)(=O)=O)ccc1ONC(=O)COc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.018551692
13307,FC(F)(F)c1ccccc1N1CCN(CCN2CCC(n3cnc(-c4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7854739
13308,N#CC1CCN(CCN2CCN(c3ccccc3Cc3cc4ccccn4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7709003
13309,O=C(Nc1cc(F)ccc1F)C1CCN(CCN2CCN(c3ccccc3OC(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.58997035
13310,O=C1COc2ccccc2N1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6555822
13311,O=c1ccn(Cc2cccc(CN3CCN(CCCCl)CC3)c2)c(=O)o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5176569
13312,Oc1c2ccccc2cn1-c1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6538697
13313,Oc1cc2c(cc1-c1ccc3ccccc3n1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6182912
13314,Oc1ccc(F)n1C1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7076363
13315,CC(=O)c1ccc(C(=O)NCCOc2ccc(ON(C)C)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.018354028
13316,CC1Cc2ccccc2N1C(=O)NCCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7169241
13317,CCCCOc1ccc(OS(C)(=O)=O)c(NCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06363243
13318,CCCOc1ccc(OC#N)c(N2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.44401267
13319,CCCOc1ccc(OC)c(-c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10463364
13320,CCCOc1ccc(OF)c(CNCC2CCc3c(cccc3OC)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5968064
13321,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Oc3ccc(CC4CCCC4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25299075
13322,CCCOc1ccc(OS(C)(=O)=O)c(NCOCC2CCCc3ccccc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19098088
13323,CCCOc1ccc(OSC)c(N2CCC(NS(=O)(=O)c3cccc(F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32884687
13324,CCNc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5094501
13325,CCS(=O)(=O)Cc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62945306
13326,CCc1cccc(Cc2cccc3c2CN2CCc4cc(Cl)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6767034
13327,CCc1cccc2c1CN1CCc3cc(OC)c(C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7024143
13328,CNC(=O)c1cc(OCCNC(=O)Cc2ccccc2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.03297205
13329,COC1CCN(CCN2CCN(c3ccccc3-c3cc4nc(O)ccc4c(O)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6941322
13330,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3cnccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.59838545
13331,COCCCN1CCN(Cc2cccc(CN3C(=O)c4ccccc4C3C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53019786
13332,COCCOc1ccc(OC)c(CCOc2cccc(CF)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13688216
13333,COCCOc1ccc(OC)c(NCC=Cc2ccco2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.060541697
13334,COOc1ccc(OCCN2CCN(c3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.67191154
13335,COc1cc2c(cc1Cc1cc[nH]c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71097964
13336,COc1cc2c(cc1Cc1ccc3cc[nH]c3c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74591935
13337,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc5cc[nH]c5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6989364
13338,COc1cc2c(cc1O)C1Cc3cccc(-c4cccc(Br)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71841776
13339,COc1cc2c(cc1O)C1Cc3cccc(Cc4cc(CO)c5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7323875
13340,COc1cc2c(cc1O)C1Cc3cccc(Cc4cccc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79899734
13341,COc1cc2c(cc1O)C1Cc3cccc(SC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8235255
13342,COc1cc2c(cc1O)CCN1Cc3c(CNCc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6714469
13343,COc1cc2c(cc1O)CCN1Cc3c(cccc3C3CCN(Cc4ccccc4)CC3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6964098
13344,COc1cc2c(cc1O)CCN1Cc3c(cccc3OC=Cc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6858341
13345,COc1cc2c(cc1OC)C1Cc3cccc(-c4cc(C)ccc4C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6512144
13346,COc1cc2c(cc1OC)C1Cc3cccc(CC(C)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5555256
13347,COc1cc2c(cc1OC)C1Cc3cccc(CNC(=O)c4ccc5[nH]ccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42009318
13348,COc1cc2c(cc1OC)C1Cc3cccc(CNOCc4ccc(CO)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60425335
13349,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(OCc4ccc(C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58429235
13350,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(COc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7699692
13351,COc1ccc(OCCC(N)=O)cc1CCF,[*]CCOc1ccc(O[*])c([*])c1,0.022712754
13352,COc1ccc(OCCC(N)=O)cc1NC(=O)COc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.008153995
13353,COc1ccc(OCCC(O)COc2ccc3c(c2)NC(=O)CC3)cc1[SH](C)(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.24982159
13354,COc1ccc(OCCCC(=O)c2cc3ccccc3s2)cc1NC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08056814
13355,COc1ccc(OCCN)cc1CCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.13622297
13356,COc1ccc(OCCN2CCC(Cc3ccc(F)cc3)CC2=O)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.31017542
13357,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(Oc2ccc(CCF)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20133471
13358,COc1ccc(OCCNCc2ccc(F)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.18591599
13359,COc1ccc(OCCNS(=O)(=O)c2ccccc2F)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.121036954
13360,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(OCCc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.31241086
13361,COc1ccc(OCCS(C)(=O)=O)cc1NCC1CCC(O)c2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.16473249
13362,COc1ccc(OCCc2ccc(C(C)=O)cc2)cc1CN1CN(S(C)(=O)=O)CCC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.08372041
13363,COc1ccc(OCCc2ccc(C(C)=O)cc2)cc1NS(=O)(=O)Cc1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.03707146
13364,COc1cccc(CN2CCN(CCCc3ccc(O)c4ccccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6382545
13365,COc1cccc2c1CN1CCc3cc(C(=O)N(C)C)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4615405
13366,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cc(O)nc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8121108
13367,Cc1cc(OCCN2CCC(Cc3ccc(F)cc3)C2)ccc1OS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.4124495
13368,Cc1cc(OCCN2CCC(Cc3ccc(F)cc3)CC2)ccc1ON=S(=O)(O)O,[*]CCOc1ccc(O[*])c([*])c1,0.51864034
13369,Cc1cc(OCCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6407365
13370,Cc1cc(OCCNCC(=O)c2ccc(F)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.0827813
13371,FC(F)(F)c1ccc(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8707089
13372,FCCOc1ccccc1N1CCN(CCN2CCC(Oc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8549953
13373,N#CCCCN1CCN(Cc2cccc(N3C(=O)c4ccccc4C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6548741
13374,O=c1ccc2c(OCCCCN3CCN(Cc4cccc(Cl)c4)CC3)cccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55257833
13375,OCCc1ccc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)[nH]1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7060845
13376,CC(=O)NC1CCN(CCOc2ccc(ONS(=O)(=O)c3ccc(C(C)C)cc3)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.40947473
13377,CC(C)(C)NC(=O)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43313408
13378,CC1CCN(CCN2CCN(c3ccccc3-c3ccc(O)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.61211896
13379,CC1CCN(CCN2CCN(c3ccccc3-c3nc4ccccc4s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7264145
13380,CCCOc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73705494
13381,CCCOc1ccc(OCN2CCN(Cc3ccccc3OC)CC2)c(NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15624301
13382,CCCOc1ccc(ON2CCN(c3ccc(F)cc3)CC2)c(N)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32019043
13383,CCCOc1ccc(ON=S(C)(=O)O)c(CC(C)Cc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16847739
13384,CCCOc1ccc(OOC)c(N2CCN(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10601693
13385,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCCC(c3ccccc3CCC)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34128574
13386,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3ccccc3OC3CCCC3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31119108
13387,CCCOc1ccc(OS(N)(=O)=O)c(NC(=O)Cc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.006895795
13388,CCCOc1ccc(OSC)c(N2C(=O)C(F)CCC2c2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1572229
13389,CCCOc1ccc(On2cccc2OCCC)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13271625
13390,CCc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73478734
13391,CCc1cc2c(cc1OC)C1Cc3cccc(Oc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.680682
13392,CN(C(=O)c1cccs1)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.52542365
13393,CNCCc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7139009
13394,COC(=O)NCCCc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53652275
13395,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccc4ccc(O)cc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.617999
13396,COCCCN1CCN(Cc2cccc(-n3cccc3O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5980302
13397,COCCCN1CCN(Cc2cccc(CNC(=O)N(C)c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.41937986
13398,COCCCN1CCN(Cc2cccc(CNC(=O)c3ccc4ccccc4n3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.41992947
13399,COCCCN1CCN(Cc2cccc(NC(=O)C=Cc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.37660062
13400,COCCOc1ccc(OCC2CCc3ccccc3C2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32892385
13401,COCCOc1ccc(ON2CCCN(c3ccc(Cl)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2836071
13402,COCc1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6191599
13403,COOc1ccc(OCCN2CCCC(Cc3ccc(SC)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.42109928
13404,COc1cc2c(cc1-c1ccc(N)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.706079
13405,COc1cc2c(cc1C=NOCc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69823366
13406,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(C)cc4CO)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6211601
13407,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)C4CC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55689466
13408,COc1ccc(NS(=O)(=O)c2cc(OCCCNC(=O)c3ccc(SC)cc3)ccc2OC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.025191957
13409,COc1ccc(OCCC(C)=O)cc1CCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.060104825
13410,COc1ccc(OCCN2CCCC(Oc3ccc(C(C)=O)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.28170952
13411,COc1ccc(OCCN=O)cc1N1CCC(C(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21631067
13412,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(C(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20477928
13413,COc1ccc(OCCS(C)(=O)=O)cc1CNc1ccccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.06741227
13414,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29377955
13415,COc1cccc(CN2CCN(CCCc3ccccc3OC(C)=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46706858
13416,COc1cccc(CN2CCN(CCCc3nccs3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5491724
13417,COc1cccc2c1CN1CCc3cc(-c4ccc(OC(F)(F)F)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75738996
13418,COc1cccc2c1CN1CCc3cc(C(=O)C4CCC4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46843156
13419,COc1cccc2c1CN1CCc3cc(N)c(Oc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74461484
13420,COc1cccc2c1CN1CCc3cc(NS(=O)(=O)c4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46924868
13421,COc1ccccc1-c1cc(C(=O)NCCN2CCN(Cl)CC2)ccc1S(C)(=O)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.37758145
13422,COc1ccccc1-c1cccc(CN2CCN(CCCCNC(=O)c3cc4ccccc4s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62864166
13423,COc1ccccc1N1CCN(CCN2CCC(c3cnc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8652262
13424,COc1ccccc1N1CCN(CCN2CCC(c3ncc(-c4ccc(F)cc4)o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.813
13425,COc1ccccc1N1CCN(CCN2CCC(n3cnc(F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87870157
13426,CSc1ccc(COc2ccc(OCCN3CCNC3=O)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.18659368
13427,CSc1cccc(CN2CCN(CCCC(=O)N3c4ccccc4CC3C)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69946957
13428,Cc1cc(OCCCF)ccc1OCNCc1cccs1,[*]CCOc1ccc(O[*])c([*])c1,0.100744694
13429,Cc1cc(OCCNC(=O)c2ccccc2)ccc1OOC1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.05137342
13430,Cc1cc(OCCNCCCc2ccc3c(c2)NC(=O)CC3)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.20849545
13431,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCN(c2ccccc2CCc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23963909
13432,Cc1ccc(-c2cc3c(cc2C)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61769325
13433,FCCCN1CCN(Cc2cccc(Cc3nc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7368245
13434,N#Cc1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63846457
13435,O=C(CCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1)C1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54769903
13436,O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(Cc2cccc(O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7572912
13437,OCc1ccccc1-c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7030068
13438,CC(=O)Oc1ccccc1-c1cc(C(=O)NCCN2CCN(C)CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27686423
13439,CC1(C(=O)NCCCCN2CCN(Cc3cccc(Cl)c3)CC2)CCCC1c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57362986
13440,CCCC(=O)CCOc1ccc(OC)c(CN2CCC(Oc3ccccc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29576728
13441,CCCOC1CCN(CCN2CCN(c3ccccc3-c3ccc(O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7318057
13442,CCCOc1ccc(OCCOc2ccccc2C(C)C)c(NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.033130355
13443,CCCOc1ccc(OCN)c(N2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35942867
13444,CCCOc1ccc(OCN2CCC(c3ccccc3OC3CC3)CC2)c(OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4853629
13445,CCCOc1ccc(OCN2CCN(c3ccc(F)cc3)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5623796
13446,CCCOc1ccc(ON2CCN(c3ccc(C)cc3)CC2)c(OC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.119470075
13447,CCOC1CCc2ccc(CC(=O)NCCOc3ccc(OSC)c(C)c3)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.14784324
13448,CCONc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56828165
13449,CCOc1ccccc1N1CCN(CCN2CCC(C(=O)Nc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.60044974
13450,CCc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7710663
13451,CCc1ccccc1S(=O)(=O)NCCOc1ccc(ON=S(C)(=O)O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.048080422
13452,CN(c1cccc(CN2CCN(CCCCl)CC2)c1)S(=O)(=O)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5960002
13453,COC(=O)c1ccc2cccc(-c3cccc4c3CN3CCc5cc(OC)c(O)cc5C3C4)c2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4666355
13454,COC(=O)c1cccc(C2CCN(CCOc3ccc(OC)c(S(C)(=O)=O)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.49992517
13455,COC1CCN(CCN2CCN(c3ccccc3N=COc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7382349
13456,COCCCN1CCN(Cc2cccc(CN=C3c4ccccc4S(=O)(=O)c4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5200668
13457,COCCOc1ccc(OC)c(CNc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09799281
13458,COCCOc1ccc(ONCCCc2cc(F)co2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0649475
13459,COCCOc1ccc(Oc2ccc(F)cc2)c(CN2CCN(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.76340455
13460,COOc1ccc(OCCN2CCC(c3ccccc3)=CC2=O)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.24946305
13461,COc1cc(Cc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc2ccccc12,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68657875
13462,COc1cc2c(cc1C(O)=Cc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60420066
13463,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cccc4c(OC)cccc34)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6549212
13464,COc1cc2c(cc1O)CCN1Cc3c(cccc3NC(=O)Cc3ccc(C#N)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.24355893
13465,COc1cc2c(cc1O)CCN1Cc3c(cccc3NC(=O)Nc3cccc4ccccc34)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.31425625
13466,COc1cc2c(cc1OC(=O)Nc1ccc(Cl)cc1Cl)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.31885758
13467,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc(S(=O)(=O)N(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4895583
13468,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(C(F)(F)F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7179811
13469,COc1cc2c(cc1SC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.723495
13470,COc1ccc(OCCCCS(=O)(=O)c2ccc(F)cc2)cc1SCN(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.061497826
13471,COc1ccc(OCCCN)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.1203631
13472,COc1ccc(OCCCN2Cc3ccc(C(C)C)cc3CC2=O)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.25429246
13473,COc1ccc(OCCF)cc1CNCC(=O)N1CCC(c2ccc(SC)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.12460017
13474,COc1ccc(OCCN2CCC(c3ccc(S(C)(=O)=O)cc3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5723296
13475,COc1ccc(OCCN2CCCC(c3ccccc3C(C)=O)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.389233
13476,COc1ccc(OCCNS(=O)(=O)c2ccccc2C(C)C)cc1N(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.10339176
13477,COc1ccc(OCCNS(=O)CCc2ccccc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.18986149
13478,COc1ccc(OCCNS(C)(=O)=O)cc1-c1c(CC2CCCCC2)ccc2c1CCC(=O)N2,[*]CCOc1ccc(O[*])c([*])c1,0.16110101
13479,COc1ccc2c(c1)c1ccccc1n2-c1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7463794
13480,COc1cccc(CCNC(=O)c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4780427
13481,COc1ccccc1N1CCN(CCN2CCC(c3cccnn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.86703724
13482,CSc1ccc(C(=O)NCCOc2ccc(ONS(C)(=O)=O)c(C3CCCN3C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.18726987
13483,Cc1cc(OCCC(=O)COc2ccc3c(c2)NC(=O)CC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13297027
13484,Cc1cc(OCCN2CCC(Cc3ccccc3)CC2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5332148
13485,Cc1cc(OCCN=S(C)(=O)O)ccc1ONCCC1CCc2ccccc2C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.2062169
13486,Cc1cc(OCCNC(=O)CSc2ccccc2)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.017082458
13487,Cc1cc(OCCNC(=O)Cc2cccnc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.01599638
13488,Cc1cc(OCCNCCc2ccc(F)cc2)ccc1OS(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1584754
13489,Fc1ccc(-c2cncc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)c2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69434136
13490,O=C(NCc1cccc(CN2CCN(CCCOC(F)(F)F)CC2)c1)C1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48117188
13491,O=C1Nc2ccccc2CC1CCCN1CCN(Cc2cccc(O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5240617
13492,Oc1cc2c(cc1-c1ccc(F)c(F)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74143
13493,[O-]C1CCN(CCN2CCN(c3ccccc3Oc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.88747746
13494,C=S(O)(O)=NCCOc1ccc(ONCc2ccccc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07514753
13495,CC(=O)c1ccc(CCOc2ccc(OOS(C)(=O)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.04754304
13496,CC(C)c1ccccc1N1CCN(CCN2CCC(c3cc(F)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71436054
13497,CCC(=O)Nc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.23234701
13498,CCCOc1ccc(OC(N)=O)c(CCCc2cc(N3CCCCC3)cc3ccccc23)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06701592
13499,CCCOc1ccc(OC=O)c(N2CCN(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.63506585
13500,CCCOc1ccc(OF)c(CN2CCC(C(=O)OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2449331
13501,CCCOc1ccc(ONC(C)=O)c(N2CCC(Oc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2111024
13502,CCCOc1ccc(ONC)c(N2CCC(c3coc(-c4ccccc4)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40293396
13503,CCCOc1ccc(OS(C)(=O)=O)c(-c2c(CC3CCCCC3)ccc3c2CCC(=O)N3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12112539
13504,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3ccc(C(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2887122
13505,CCCOc1ccc(OS(C)(=O)=O)c(N2CCN(CCc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.69894814
13506,CCCOc1ccc(OS(C)(=O)=O)c(OC2CCC(NCc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17926772
13507,CCCc1ccccc1N1CCN(CCN2CCC(c3ccncn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7154172
13508,CCOC1CCN(CCN2CCN(c3ccccc3-c3cc4ccccc4s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6851486
13509,CCOc1cccc(CN2CCN(CCCc3cc(C=Cc4ccccc4)no3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5575282
13510,CCOc1ccccc1N1CCN(Cc2cc(OCCOC)ccc2OCOc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.778952
13511,CCc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74207443
13512,CCc1ccc(OC2CCN(c3cc(OCCN=S(C)(=O)O)ccc3OC)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.19221413
13513,COC(=O)CCOc1ccc(OCCN2CCN(c3ccccc3OC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.72587234
13514,COC(=O)c1cc2c(cc1-c1cccs1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52645046
13515,COC1CCN(CCN2CCN(c3ccccc3COc3ccc(-c4ccc(O)cc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68114746
13516,COCCCN1CCN(Cc2cccc(CNC(=O)C3(c4ccccc4)CCOC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3049415
13517,COCCOc1ccc(OC)c(CCN2CCN(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.83499503
13518,COCCOc1ccc(OC)c(CCc2ccccc2F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1693729
13519,COCCOc1ccc(OCN2CCN(c3ccccc3OC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6704017
13520,CONCc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6892726
13521,COc1cc2c(cc1-c1ccc(COC3CCC3)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65550405
13522,COc1cc2c(cc1CO)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60757655
13523,COc1cc2c(cc1O)CCN1Cc3c(cccc3SCc3ccc(C#N)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5653067
13524,COc1cc2c(cc1O)CCN1Cc3c(cccc3[N+]C(C)=O)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6148882
13525,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4818557
13526,COc1cc2c(cc1OC)C1Cc3cccc(OCc4ccc(C=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67835486
13527,COc1ccc(C(=O)NCCN2CCN([N+](=O)[O-])CC2)cc1-c1cccc2nc(O)oc12,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.20495497
13528,COc1ccc(CCc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.86503476
13529,COc1ccc(OCCC(=O)Cc2ccc(F)cc2)cc1CN1CCCC(=O)N1c1ccccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.08719996
13530,COc1ccc(OCCN2CCC(OC(C)=O)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.48779044
13531,COc1ccc(OCCN=S(C)(=O)O)cc1CC(=O)Cc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.17543353
13532,COc1ccc(OCCN=S(C)(=O)O)cc1NCC(C)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.062452596
13533,COc1ccc(OCCS(N)(=O)=O)cc1N1CCC(Oc2ccc(CC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.26141748
13534,COc1ccc(OCCSC)cc1-c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.1336295
13535,COc1cccc(CN2CCN(CCCCn3cccc3C=Cc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6663645
13536,COc1cccc2c1CN1CCc3cc(C4=CC=CC=CC4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69691885
13537,COc1cccc2ccc(-c3cc4c(cc3O)C3Cc5cccc(O)c5CN3CC4)cc12,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66101545
13538,COc1ccccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1C#N,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.4105702
13539,COc1ccccc1-c1cc(O)n(Cc2cccc(CN3CCN(CCCCl)CC3)c2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.568487
13540,COc1ccccc1N1CCN(CCN2CCC(C3CC(=O)Nc4cc(O)ccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7547693
13541,CS(=O)(O)=Nc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5855605
13542,CSc1ccc2c(c1)OC(CNOc1ccc(OCCNS(=O)(=O)c3ccc(F)cc3)cc1C)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.34183165
13543,Cc1cc(OCCN2CCC(Cc3ccc(F)cc3)CC2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.5653867
13544,Cc1ccccc1N1CCN(CCN2CCC(C=Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6923675
13545,Fc1ccc(-n2nccc2C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7222228
13546,O=C(c1ccccc1)N1CCN(c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)CC1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.29001984
13547,OCc1ccc(Cc2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6666699
13548,Oc1cc2c(cc1O)C1Cc3cccc(Cc4cccc(OC(F)(F)F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5991
13549,C=CC1C=CN(CCCOc2ccc(OC)c(CF)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3612099
13550,CC(=O)c1cccc(C2CCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5681261
13551,CC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccc(-c4ccccn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.39572465
13552,CCC(=O)Nc1cc2c(cc1Cl)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.26662323
13553,CCCCN1CCN(Cc2cccc(N3Cc4ccccc4C3C(=O)OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.547128
13554,CCCCc1ccccc1-c1cc(OCCOC)ccc1OCNC(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.039697208
13555,CCCOc1ccc(OC(=O)N2CCC(C)CC2OC)c(Nc2ccc(C(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12090553
13556,CCCOc1ccc(OC(C)=O)c(N2CCN(c3ccccc3OCCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2092371
13557,CCCOc1ccc(OCN2CCN(CC(=O)c3ccc(F)cc3)CC2)c(C(N)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19552052
13558,CCCOc1ccc(OCNC(=O)c2ccc(F)cc2)c(NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.018508013
13559,CCCOc1ccc(ON2CCCC(Cc3ccccc3)C2)c(OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24115734
13560,CCCOc1ccc(ON2CCCN(c3ccccc3OC(C)C)CC2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32884502
13561,CCCOc1ccc(OOC)c(N2CCOC(CCc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21436909
13562,CCCOc1ccc(OOC)c(NC(=O)Cc2ccc3c(c2)N(C(C)=O)CCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07957684
13563,CCCOc1ccc(OSC)c(CS(=O)(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.048223056
13564,CCc1ccccc1N1CCN(CCN2CCC(c3nc(-c4ccccc4)cs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76820225
13565,COCCCN1CCN(Cc2cccc(C3CCc4ccc(OC)cc4O3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6987096
13566,CON1CCN(CCNC(=O)c2ccc(F)c(-c3ccccc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.40087205
13567,CON=Cc1cc2c(cc1O)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61864746
13568,COOc1ccc(OCCC(=O)COc2ccc3c(c2)CN(C)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.27153608
13569,COOc1ccc(OCCNC(=O)CCc2ccc3c(c2)N(C)C(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.07903762
13570,COc1cc2c(cc1O)CCN1Cc3c(CCCF)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.828491
13571,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1cccs1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.34142092
13572,COc1ccc(OCCCCNC(=O)c2ccc(F)cc2)cc1NC(=O)c1ccc(SC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.05763008
13573,COc1ccc(OCCN=S(C)(=O)O)cc1NCC1CC1,[*]CCOc1ccc(O[*])c([*])c1,0.086850874
13574,COc1ccc(OCCNC(=O)c2ccc(C(F)(F)F)cc2F)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.016810324
13575,COc1ccc(OCCNS(=O)(=O)c2ccccc2F)cc1NC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.017584473
13576,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(Cc2ccc3c(c2)C(=O)NCC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3699788
13577,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(Oc2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.30040997
13578,COc1ccc(OCCOCCF)cc1N1CCN(CC(C)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3476902
13579,COc1ccc(OCCOS(C)(=O)=O)cc1CCCc1cc(C2CCN(C)CC2)co1,[*]CCOc1ccc(O[*])c([*])c1,0.3815592
13580,COc1cccc(C(=O)Nc2ccccc2N2CCN(CCN3CCC(C)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.43153003
13581,COc1cccc(CN2CCN(CCCCc3cc(-c4ccccc4)on3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63592595
13582,COc1cccc(CN2CCN(CCCc3cccc4c3OCC(=O)N4)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4800564
13583,COc1cccc2c1CN1CCc3cc(Cc4cccc([N+](=O)[O-])c4)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4758243
13584,COc1ccccc1N1CCN(COc2ccc(OCCc3ccc(OCCF)cc3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6497159
13585,CSOc1ccc(OCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.65955466
13586,CSc1ccc(C(=O)NC2CCN(CCCOc3ccc(OS(C)(=O)=O)c(C)c3)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.45595
13587,CSc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7750005
13588,Cc1cc(OCCF)ccc1OC(=O)NCc1ccc(S(N)(=O)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.011049511
13589,Cc1cc(OCCN2CCC(c3cc4ccccc4o3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.68819606
13590,Cc1cc(OCCNS(=O)(=O)c2ccccc2C(C)C)ccc1OOC1CCCCN1,[*]CCOc1ccc(O[*])c([*])c1,0.10538027
13591,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCCC(Cc2ccc(C#N)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.232362
13592,Cc1cc(OCCS(=O)(=O)N(C)C)ccc1OC(Cc1ccc(F)cc1)N1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.15154983
13593,Fc1ccc(Oc2cccc(CN3CCN(CCCCl)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66832256
13594,Fc1cccc2c(-c3cccc(CN4CCN(CCCCl)CC4)c3)cccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.587935
13595,O=C(Nc1ccccc1N1CCN(CCN2CCC(O)CC2)CC1)c1ccc2ccccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.40559357
13596,O=C1NCCc2ccc1cc2C1CCN(CCN2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.52752185
13597,O=S1(=O)CCCN1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6669282
13598,O=[N+]([O-])c1ccccc1N1CCN(CCN2CCC(c3cn4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5554049
13599,Oc1[nH]ccc1-c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68123555
13600,Oc1cccc2c1CN1CCc3cc(OCC4CC4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7290836
13601,Oc1cccc2c1CN1CCc3cc(ON=CC4CC4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7531252
13602,Oc1ccnc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7495453
13603,C=CCN1CCC(Oc2cc(OCCc3ccc(S(C)(=O)=O)cc3)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.45520237
13604,CC(C)c1ccccc1N1CCN(CCN2CCC(c3nnc(-c4ccccc4)n3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6492767
13605,CCCCc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70032686
13606,CCCOc1ccc(OCN2CC(C)Cc3ccccc32)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.45179817
13607,CCCOc1ccc(OCN2CCC(c3ccccc3OC)CC2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5049478
13608,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(Oc3ccc4c(c3)NC(=O)CC(C)C4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.46104297
13609,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(CCc3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37858903
13610,COC(=O)c1ccccc1N1CCN(CCN2CCC(n3cc(F)ccc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6625364
13611,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69767344
13612,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccccc3C#Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4158592
13613,COCCCN1CCN(Cc2cccc(-c3cc4ccccc4cc3OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62594515
13614,COCCOc1ccc(ON2CCC(CC(=O)OC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10728513
13615,COCc1cc2c(cc1CO)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6427124
13616,COOc1ccc(OCCc2ccc(F)cc2)cc1CCCCc1ccccn1,[*]CCOc1ccc(O[*])c([*])c1,0.13527337
13617,COc1cc2c(cc1C)C1Cc3cccc(CC#N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7088505
13618,COc1cc2c(cc1O)C1Cc3cccc(N4CCC(OCc5ccc6ccccc6c5)CC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6060674
13619,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(C)O)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7502699
13620,COc1cc2c(cc1OC)C1Cc3cccc(OCc4ccc5cccnc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65037525
13621,COc1cc2c(cc1OCc1ccc(CO)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6794406
13622,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(Cc4cccc(C#N)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6007443
13623,COc1ccc(C(=O)NCCN2CCN(C)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.21640748
13624,COc1ccc(OCCC(O)CCc2ccc3c(c2)NC(=O)CC3)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16924681
13625,COc1ccc(OCCCC(=O)c2ccc(F)cc2)cc1CN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.24807103
13626,COc1ccc(OCCCS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.085528955
13627,COc1ccc(OCCN2CCC(c3ccc(F)cc3)CC2)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.78974587
13628,COc1ccc(OCCN2CCC(c3ccccc3)C(CF)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5014222
13629,COc1ccc(OCCN2CCCC(Oc3ccc(C)cc3)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.29991427
13630,COc1ccc(OCCN2CCN(c3cccc(OCC(F)(F)F)c3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.71169597
13631,COc1ccc(OCCNC(=O)Cc2cccc(F)c2)cc1OCC1CCCN1,[*]CCOc1ccc(O[*])c([*])c1,0.032448232
13632,COc1ccc(OCCNCc2ccccc2)cc1NS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.17782187
13633,COc1ccc(OCCS(C)(=O)=O)cc1CC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.3286706
13634,COc1ccc(OCCSC)cc1NC(=O)Cc1cccc(C(N)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0067592263
13635,COc1ccc(OCC[SH](C)(=O)O)cc1N1CCC(Cc2ccc3c(c2)C(=O)NCC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3473787
13636,COc1cccc2c1CN1CCc3cc(C(=O)[N+](C)=O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47278133
13637,COc1cccc2c1CN1CCc3cc(C(=O)c4c[nH]c5ccccc45)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43467745
13638,COc1ccccc1N1CCN(CCN2CCC(Cc3ccc4ccc(N)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7542094
13639,COc1ccccc1N1CCN(CCN2CCC(OCc3ccc4ccc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7617385
13640,COc1ccccc1N1CCN(CCN2CCC(c3cccc(-c4cccc(O)c4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75021696
13641,COc1ccccc1N1CCN(Oc2ccc(OCCCn3cccc3OCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27699995
13642,COc1cccnc1-c1ccccc1N1CCN(CCN2CCC(C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75289005
13643,CS(=O)(=O)c1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccccc4)no3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7615136
13644,CSOc1ccc(OCCNC(=O)Cc2ccc3c(c2)N(C(C)=O)CCC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.05996552
13645,CSc1ccc(CC2CCN(COc3ccc(OCCNS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.3205426
13646,Cc1cc(OCCN2CCC(c3ccc(S(C)(=O)=O)cc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5983397
13647,Cc1cc(OCCN=S(C)(=O)O)ccc1OF,[*]CCOc1ccc(O[*])c([*])c1,0.04941779
13648,N#CC1CCN(CCN2CCN(c3ccccc3COc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74346346
13649,O=C(NCc1cccc(F)c1)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43649012
13650,O=C(O)Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5419618
13651,O=C1COc2ccccc2N1CCCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6920278
13652,OC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccccc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77348983
13653,Oc1c2ccccc2cn1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7169116
13654,Oc1cc2c(cc1CNOCc1ccccc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6061669
13655,Oc1ccc(CCCCN2CCN(Cc3cccc(F)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62939954
13656,Oc1cccc2c1CN1CCc3cc(CCNOCc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5487989
13657,Oc1ccccc1-c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7238087
13658,Oc1cnc2ccc(C3CCN(CCN4CCN(c5ccccc5OCCF)CC4)CC3)cc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7037658
13659,C#Cc1ccc(OC)c(-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.702634
13660,CCC1CCN(CCN2CCN(c3ccccc3NC(=O)c3cc4ccccc4s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.44416517
13661,CCCOc1ccc(OCC2CCN(Cc3ccccc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7082516
13662,CCCOc1ccc(OCN2CCN(c3ccccc3OCC)CC2)c(NCCO)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5696281
13663,CCCOc1ccc(OCNS(C)(=O)=O)c(-c2ccccc2OCC(F)(F)F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.072130844
13664,CCCOc1ccc(ONCc2ccccc2OC)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18341768
13665,CCCOc1ccc(OOC)c(NCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13215962
13666,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(CCc3cccc4c3NC(=O)CCC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29387584
13667,CCCOc1ccc(OS(C)(=O)=O)c(N2CCc3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24346001
13668,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)COc2ccccc2C(F)(F)F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.006464078
13669,CCCOc1ccc(OS(C)(=O)=O)c(Nc2ccc(C(C)CC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.041757315
13670,CCCOc1ccc(OSC)c(COCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17227459
13671,CCOc1cccc(C2CCN(c3cc(OCCN=S(C)(=O)O)ccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20870028
13672,CCOc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccc4)nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8142205
13673,CNc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57252777
13674,CON1CCN(CCNC(=O)c2ccc(C=O)c(-c3cccc(C)c3C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31495184
13675,COc1cc2c(cc1-c1ccccc1)C1Cc3cccc(CO)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74527293
13676,COc1cc2c(cc1-n1cccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7139434
13677,COc1cc2c(cc1C(=O)c1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.536597
13678,COc1cc2c(cc1O)C1Cc3cccc(-c4c(C)cccc4C#N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.637159
13679,COc1cc2c(cc1O)C1Cc3cccc(-c4ccsc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7570475
13680,COc1cc2c(cc1O)C1Cc3cccc(Cc4c[nH]c5ccc(C#N)cc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7238638
13681,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)Oc3cccc(Cl)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47661266
13682,COc1cc2c(cc1OC)C1Cc3cccc(COCc4ccc(OCc5ccccc5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7539445
13683,COc1ccc(-c2cc3c(cc2OCc2ccccc2)CCN2Cc4c(cccc4OC)CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6829903
13684,COc1ccc(OCCCC2C(=O)CCc3ccc(CC(C)=O)cc32)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.15533964
13685,COc1ccc(OCCCOCc2ccccc2)cc1NS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.083772495
13686,COc1ccc(OCCF)cc1CN1CCC(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.40238896
13687,COc1ccc(OCCF)cc1CS(=O)(=O)Cc1ccc(NS(C)(=O)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.047218695
13688,COc1ccc(OCCN2CCCC(C(=O)c3ccccc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5299072
13689,COc1ccc(OCCNC(=O)Cc2ccc3c(c2)CCCC3)cc1N(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.043541282
13690,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(Cc2ccc(CC3CCCC(=O)N3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27090788
13691,COc1ccc(Oc2ccccc2N2CCN(CCN3CCC([N+](=O)[O-])CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72560567
13692,COc1cccc(C(=O)NC2CCN(CCOc3ccc(OC)c(S(C)(=O)=O)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.50435495
13693,COc1ccccc1N1CCN(COc2ccc(OCCNC(=O)c3ccc(F)cc3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6500423
13694,Cc1cc(OCCC(F)CCc2ccc3c(c2)CC(=O)CC3)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.1532325
13695,Cc1cc(OCCC(F)CCc2ccc3c(c2)CC(=O)CC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.142485
13696,Cc1cc(OCCF)ccc1OC(=O)NCc1cccc(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.014252933
13697,Cc1cc(OCCN2CCC(c3cccc(C(F)(F)F)c3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.64704174
13698,Cc1cc(OCCN2CCN(C)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.34329018
13699,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCN(CCc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.35372084
13700,Cc1cc(OCCNC(=O)Cc2ccc(F)cc2)ccc1ON1CC(C)CN(C)C1,[*]CCOc1ccc(O[*])c([*])c1,0.064266495
13701,Cc1cc(OCCNC(=O)c2ccc(F)cc2)ccc1OCN1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18164353
13702,Cc1cc(OCCNCc2cccnc2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.13691513
13703,Cc1cc(OCCNS(C)(=O)=O)ccc1OCCOc1ccc(C2CCNC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.15212741
13704,Cc1ccc(C)c(C2CCN(Oc3ccc(OCCOS(C)(=O)=O)cc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19941065
13705,Cc1ccc(CCCN2CCN(Cc3cccc(C(=O)N4c5ccccc5CC4C)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6456195
13706,Cc1ccc(OCC(=O)NCCOc2ccc(ON3CCNCC3)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.037308823
13707,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6668088
13708,Cc1ccccc1N1CCN(CCN2CCC(c3ccc4ccc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6499097
13709,FC(F)(F)OCCCN1CCN(Cc2cccc(Cc3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7496699
13710,O=C(CCCN1CCN(Cc2cccc(F)c2)CC1)N1c2ccccc2CCS1(=O)=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6589026
13711,O=C1CCCCN1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.43647435
13712,O=C1c2ccccc2CN1CCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.77071434
13713,O=[N+]([O-])CCCN1CCN(Cc2cccc(-n3cccc3O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.50920945
13714,OC1CCN(CCN2CCN(c3ccccc3COc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67134523
13715,Oc1cc2c(cc1-c1ccco1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7495755
13716,C=CC1Cc2ccccc2N1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6578379
13717,C=CCOC1CCC(NCCOc2ccc(OC)c(NS(C)(=O)=O)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.15017153
13718,CC(=O)NS(=O)(=O)Oc1ccc(OCCNCc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.15755165
13719,CC(C)Oc1ccccc1N1CCN(CCN2CCC(Oc3ccc4nc(O)cnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6779872
13720,CCCCOc1ccc(OOC)c(NCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10759438
13721,CCCOc1ccc(OC(=O)NS(C)(=O)=O)c(N2CCC(c3ccc(OCC(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13525969
13722,CCCOc1ccc(OC(O)COc2ccccc2)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6070212
13723,CCCOc1ccc(OCN2CCN(c3ccccc3OCC)CC2)c(CO)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6734414
13724,CCCOc1ccc(ON=S(C)(=O)O)c(N2c3ccccc3CC2C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14647734
13725,CCCOc1ccc(ONC(=O)COc2ccccc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.018284956
13726,CCCOc1ccc(OOC)c(CCNC(=O)c2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.028949339
13727,CCCOc1ccc(OSC)c(CCC2CCc3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33053395
13728,CCCc1csc(C(=O)NCCOc2ccc(ON3CCCCC3)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.049644988
13729,CCN1C(=O)CCc2ccc(OCC(=O)CCOc3ccc(OC)c(SC)c3)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.15937854
13730,CCOc1cc2c(cc1OC)CCN1Cc3c(C#N)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7025482
13731,CNC(=O)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45749745
13732,COC(=O)Nc1cccc(-c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64995176
13733,COC(=O)c1cc2c(cc1OC)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47038376
13734,COC1CCN(CCN2CCN(c3ccccc3-c3c(O)nc4ccccc4c3Br)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6547903
13735,COC1CCN(CCN2CCN(c3ccccc3-n3c(O)cc4cc(C(N)=O)ccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7024028
13736,COCCOc1ccc(OCN2CCN(c3ccc(F)c(F)c3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4500442
13737,CON1CCN(CCNC(=O)c2ccc(-c3ccccc3C)c(O)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31555218
13738,COS(=O)(=O)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6574916
13739,COc1cc2c(cc1C#N)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73834676
13740,COc1cc2c(cc1N(C)C)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7696492
13741,COc1cc2c(cc1O)C1Cc3cccc(C=N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.82559663
13742,COc1cc2c(cc1O)C1Cc3cccc(CCOc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76124346
13743,COc1cc2c(cc1O)C1Cc3cccc(Cc4cccc5cc[nH]c45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8384866
13744,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccccc4C#N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7727253
13745,COc1cc2c(cc1O)CCN1Cc3c(cccc3C3CCN(OCc4ccccc4)CC3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6832437
13746,COc1ccc(OCCCC2CC(=O)c3ccccc3C2)cc1NC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1071921
13747,COc1ccc(OCCCNS(C)(=O)=O)cc1Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.107455075
13748,COc1ccc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1SO,[*]CCOc1ccc(O[*])c([*])c1,0.5902165
13749,COc1ccc(OCCN2CCC(Nc3cccc(C(F)(F)F)c3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.47541386
13750,COc1ccc(OCCNCS(C)(=O)=O)cc1N1CCC(Oc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4984142
13751,COc1ccc(OCCNS(C)(=O)=O)cc1C1CC(Cc2ccc(F)cc2)CC(=O)N1,[*]CCOc1ccc(O[*])c([*])c1,0.15731803
13752,COc1ccc2ccc(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)nc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66696984
13753,COc1cccc2c1CN1CCc3cc(C(=O)NCc4cccc(Cl)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38762844
13754,COc1cccc2c1CN1CCc3cc(C(=O)O)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5293621
13755,COc1cccc2c1CN1CCc3cc(Oc4ccc(C)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70023423
13756,COc1ccccc1-c1cc(C(=O)NCCN2CCN(C)CC2)ccc1C(=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.34059557
13757,COc1ccccc1N1CCCN(Oc2ccc(OCCNS(C)(=O)=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22730961
13758,COc1ccccc1N1CCN(CCN2CCC(Cc3ccc(CNC(C)=O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8010836
13759,Cc1cc(OCCN2CCN(CC(=O)N3c4ccccc4CC3C)CC2)ccc1OF,[*]CCOc1ccc(O[*])c([*])c1,0.5111175
13760,Cc1cc(OCCNCCc2cccc3c2CCCC3)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1580813
13761,Cc1cc(OCCOc2ccc(F)cc2)ccc1OCN1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.396439
13762,Cc1ccccc1N1CCN(CCN2CCC(c3cccc(C#Cc4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7354418
13763,ClC1CCN(CCN2CCN(c3ccccc3Nc3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.54639053
13764,Clc1ccccc1N1CCN(CCN2CCC(Nc3cc(-c4ccccc4)ccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8322721
13765,N#Cc1c[nH]c(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6243586
13766,Nc1cc2c(cc1O)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6906651
13767,O=C(NCCCCN1CCN(Cc2cccc(F)c2)CC1)C1CCc2ccccc2C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6481428
13768,O=C(Nc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2)OCc1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.33466175
13769,O=C(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1ccc(F)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4647975
13770,O=C1c2ccccc2CCN1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.80327046
13771,Oc1cc(-c2ccccn2)cn1C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7965102
13772,Oc1cccc2c1CN1CCc3cc(OC(F)(F)F)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7777354
13773,CCCOc1ccc(OC(=O)NS(C)(=O)=O)c(N2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14810105
13774,CCCOc1ccc(OCN)c(N2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.41072804
13775,CCCOc1ccc(ON2CCN(c3ccccc3OCC)CC2)c(OC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2088894
13776,CCCOc1ccc(OOC)c(CN2CCC(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.61669296
13777,CCCOc1ccc(OOC)c(NC(=O)COc2cccc(N3CCCC3)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.037307385
13778,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)COc2ccc(CCC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0068603954
13779,CCCOc1ccc(Oc2cccc(C(C)C)n2)c(NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.022860238
13780,CCNC(=O)CCOc1ccc(ON2CCC(c3ccccc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08096954
13781,CCOC(=O)c1cc(OCCCS(=O)(=O)Cc2ccc(F)cc2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.04530163
13782,CCOC(=O)c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51159936
13783,CCOc1ccccc1N1CCN(CCN2CCC(Cc3cc4ccccn4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7631136
13784,CCc1ccc(Cl)cc1S(=O)(=O)c1cc(OCCF)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.055496812
13785,CCc1ccccc1S(=O)(=O)C1CCN(CCOc2ccc(OSC)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6203929
13786,CN1CCN(CCNC(=O)c2ccc(Cl)c(-c3ccccc3Cl)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.36009476
13787,CN1c2ccccc2CC(CCCN2CCN(Cc3cccc(F)c3)CC2)S1(=O)=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7094998
13788,COC(=O)c1cccc(CN2CCN(CCCCC(=O)c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4597375
13789,COC1CCN(CCN2CCN(c3ccccc3-c3csc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7811003
13790,COC1CCN(CCN2CCN(c3ccccc3-c3nnc(-c4ccccc4)o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79644644
13791,COC1CCN(CCN2CCN(c3ccccc3S(=O)(=O)c3cnc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6205663
13792,COCCCN1CCN(Cc2cccc(-c3cc4ccccc4c4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5749084
13793,CON1CCN(CCNC(=O)c2ccc(-c3ccccc3O)c(O)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.39712846
13794,COc1cc(C(=O)NCCN2CCN(c3ccccc3)CC2)ccc1C#N,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.756362
13795,COc1cc2c(cc1CN(C)C)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78861654
13796,COc1cc2c(cc1O)CCN1Cc3c(C=NOCc4ccc(F)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68344194
13797,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3c(OC)ccc4ccccc34)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6846127
13798,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(C)cc3C#N)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60111344
13799,COc1cc2c(cc1OC)C1Cc3cccc(CNCc4cccnc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64573675
13800,COc1cc2c(cc1OC)C1Cc3cccc(Cc4cc(F)cc(F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78415155
13801,COc1cc2c(cc1OC)C1Cc3cccc(Cc4cccc(COC(C)=O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4521444
13802,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1C(=O)OC(C)(C)C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.21655355
13803,COc1ccc(CNCc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7039269
13804,COc1ccc(OCCC(C)=O)cc1CN1CCC(c2ccccc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.40857008
13805,COc1ccc(OCCC(C)=O)cc1N1CCCC(CCc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.24848317
13806,COc1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1S(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.48233724
13807,COc1ccc(OCCN2CCCCC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2804941
13808,COc1ccc(OCCN=S(C)(=O)O)cc1CCc1ccc(C2CCCCN2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.11990195
13809,COc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1NS(=O)(=O)c1ccc(SC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.0119103845
13810,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Cc2ccc3c(c2)C(=O)CC(=O)C3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29031444
13811,COc1ccc(OCCc2ccc(C(C)=O)cc2)cc1CN1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.40166014
13812,COc1cccc(CN2CCN(CCCCCN3C(=O)COc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6951757
13813,COc1cccc2c1CN1CCc3cc(Cc4ccncc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7214739
13814,COc1ccccc1C1CCN(CCCOc2ccc(OC)c(S(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.67743576
13815,COc1ccnc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80470514
13816,Cc1cc(OCCC=COc2ccccc2C2CCNCC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.18061079
13817,Cc1cc(OCCN(C)S(C)(=O)=O)ccc1ON1CCC(c2ccc(CC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.26395008
13818,Cc1cc(OCCN=S(C)(C)=O)ccc1ON1CCC(Cc2ccccc2OC2CCCC2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24864694
13819,Cc1cc(OCCNC(=O)Cc2ccccc2)ccc1ONCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.018416714
13820,Cc1cc(OCCNS(=O)(=O)c2cccc(F)c2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09432475
13821,Cc1ccc(C=O)c(S(=O)(=O)NOc2ccc(OCCF)cc2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04560958
13822,ClCCCN1CCN(Cc2cccc(-c3ccc4c(c3)Cc3ccccc3-4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7168528
13823,FC(F)(F)c1cccc(CN2CCN(CCCCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7555001
13824,FC(F)(F)c1cccc(CN2CCN(CCCN3CCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6975054
13825,FCCOc1ccc(OCl)c(CN2CCN(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8084972
13826,Fc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71054506
13827,O=[N+]([O-])CCCN1CCN(Cc2cccc(Cc3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51275104
13828,Oc1ccc2ccc(OC3CCN(CCN4CCN(c5ccccc5F)CC4)CC3)cc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6060324
13829,CCCCn1cc(CCOc2ccc(OC)c(S(C)(=O)=O)c2)cn1,[*]CCOc1ccc(O[*])c([*])c1,0.07725201
13830,CCCOc1ccc(OCOCC)c(C=Nc2ccccc2OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11359951
13831,CCCOc1ccc(OCOc2ccccc2OCC)c(N=S(C)(=O)O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.057433236
13832,CCCOc1ccc(OOC)c(CCOc2ccc(C)cn2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09265995
13833,CCCOc1ccc(OS(C)(=O)=O)c(Cc2ccc(C3CCNCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21160369
13834,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3ccc4ccccc4n3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28504252
13835,CCCOc1ccc(OS(N)(=O)=O)c(OC2CCCc3ccc(OCC)cc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37690848
13836,CCCc1ccccc1S(=O)(=O)Nc1cc(OCCF)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.094586015
13837,CCN1CC(CNOc2ccc(OCCOS(C)(=O)=O)cc2C)CS1(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.114611536
13838,CCOc1ccccc1C1CCN(c2cc(OCCN=S(C)(=O)O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20171781
13839,CCOc1ccccc1NCc1cc(OCCC=O)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.057207253
13840,CNC(=O)CCOc1ccc(OC)c(NCC2CCc3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19931048
13841,CNOc1ccc(OCCNC(=O)COc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.042821266
13842,COC(=O)NOc1ccc(OCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6556229
13843,COC1CCN(CCN2CCN(c3ccccc3C(=O)OCCc3ccc(C#N)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.51831657
13844,COC=Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53379864
13845,COCCCN1CCN(Cc2cccc(C3CNC(=O)c4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55821884
13846,COCCCN1CCN(Cc2cccc(OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62333834
13847,COCCOc1ccc(OC)c(N2CCN(c3ccccc3C(C)C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35611865
13848,COc1cc2c(cc1O)C1Cc3cccc(CNCCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64809245
13849,COc1cc2c(cc1O)C1Cc3cccc(Cc4cccc(Cl)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6130623
13850,COc1cc2c(cc1Oc1cccc(C)c1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72873944
13851,COc1ccc(CC2CCN(Oc3ccc(OCCF)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.30621982
13852,COc1ccc(COC(=O)Nc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39545
13853,COc1ccc(OCCC(C)Cc2ccc3c(c2)NC(=O)CCC3)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.16835976
13854,COc1ccc(OCCCNCc2cccs2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.15586787
13855,COc1ccc(OCCF)cc1CN1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.08634259
13856,COc1ccc(OCCN2CCC(Oc3ccc4ccccc4c3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.6646179
13857,COc1ccc(OCCN2CCN(Cc3ccc(F)cc3)CC2)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.39759076
13858,COc1ccc(OCCN2CCN(c3ccc(C(C)C)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6104227
13859,COc1ccc(OCCN=S(C)(=O)O)cc1CCNc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.043951217
13860,COc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1N=S(C)(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.012937304
13861,COc1ccc(OCCNC(=O)c2sc3c(c2CC2CCCCC2)CCCC(=O)N3)cc1Br,[*]CCOc1ccc(O[*])c([*])c1,0.056092218
13862,COc1ccc(OCCNC2CCN(Cc3ccc(F)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.4851319
13863,COc1ccc(OCCOCc2ccccc2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09108369
13864,COc1ccc(OCCOS(C)(=O)=O)cc1NC(=O)COc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.008181837
13865,COc1ccc2[nH]cc(Cc3cccc4c3CN3CCc5cc(OC)c(O)cc5C3C4)c2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76463157
13866,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccccc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8205678
13867,COc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3ccc(F)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84005445
13868,COc1ccccc1N1CCN(CCN2CCC(S3=NC4=CC=C3C=CC=CC4=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80616695
13869,COc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4cccnc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8130587
13870,CS(=O)(=O)OOc1ccc(OCCF)cc1CC(=O)NCC1CCCN(Cc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.1895954
13871,CSOc1ccc(OCCNCc2ccc(S(C)(=O)=O)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.111499414
13872,CSc1ccc(C(=O)N2CCN(COc3ccc(OCCCF)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.08773417
13873,Cc1cc(OCCNC(=O)c2ccc(F)cc2)ccc1ON1CSCC(C)C1,[*]CCOc1ccc(O[*])c([*])c1,0.06214262
13874,Cc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1cccc2nc(O)ccc12,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.25045326
13875,Cc1cccc(CN2CCN(CCCC3NS(=O)(=O)Cc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7025011
13876,ClC1CCN(CCN2CCN(c3ccccc3-c3cnc[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74139893
13877,Clc1cccc(CN2CCN(CCCc3ccc(-c4ccccc4)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.77980924
13878,N#Cc1ccc(CNC(=O)C2CCN(CCN3CCN(c4ccccc4[N+](=O)[O-])CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5548478
13879,N#Cc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8007151
13880,O=C(NCCN1CCN(F)CC1)c1ccc(F)c(-c2cccs2)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.41907012
13881,O=C(Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2)C(F)(F)F,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.37824482
13882,Oc1cc2c(cc1O)C1Cc3cccc(OCc4ccc5[nH]ccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66402173
13883,Oc1ccc(-c2ccccc2N2CCN(CCN3CCC(O)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7773698
13884,Oc1nc2c(Oc3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)cccc2s1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7104998
13885,CC(=O)NCCOc1ccc(ONCc2ccccc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03141085
13886,CC(C)OCCCN1CCN(Cc2cccc(CC(=O)N3Cc4ccccc4C3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48190778
13887,CC(O)c1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6148091
13888,CCCNC(=O)Nc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32985654
13889,CCCOc1ccc(OF)c(CNCC2CCc3cccc(OC)c3CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4864998
13890,CCCOc1ccc(ON2CCCC(c3ccccc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.43140534
13891,CCCOc1ccc(ON2CCCN(c3cc(F)ccc3F)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36074615
13892,CCCOc1ccc(OOC)c(CN2CCC(C)C(c3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.673571
13893,CCCOc1ccc(OOC)c(N2CCC(c3ccc(F)cc3)C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27972135
13894,CCCOc1ccc(OS(N)(=O)=O)c(-c2ccc(C3CCN(C)C3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.345116
13895,CCCOc1ccc(OSC)c(-c2ccc(Cl)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08388251
13896,CCCOc1ccc(OSC)c(N2CCCC(c3cccc(C(C)=O)c3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14580093
13897,CCOC(=O)C1CCN(CCOc2ccc(OC)c(NS(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31097916
13898,CCOCCCN1CCN(Cc2cccc(N3c4ccccc4CS3(=O)=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6000383
13899,CCOc1ccccc1N1CCN(CCN2CCC(c3cc4ccccc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7623732
13900,CCc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6818626
13901,COC(=O)c1cccc2c1CN1CCc3cc(CO)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53251153
13902,COC1CCN(CCN2CCN(c3ccccc3C3CCc4ccccc4C3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83725923
13903,COCCCN1CCN(Cc2cccc(-c3ccc4[nH]c(O)cc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57735574
13904,COCCCN1CCN(Cc2cccc(N3c4ccccc4CC3C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6815086
13905,COCCOc1ccc(OC)c(C2CCN(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34526235
13906,COOc1ccc(OCCN2CCCC(CCc3ccccc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.4819169
13907,COc1cc(C(=O)NCCN2CCN(N)CC2)ccc1-c1cccc(C)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.21866783
13908,COc1cc2c(cc1O)C1Cc3cccc(NC(=O)c4c[nH]c5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.33102
13909,COc1cc2c(cc1O)CCN1Cc3c(C#CCc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7725833
13910,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc5[nH]ccc5c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67809147
13911,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3nccc4ccccc34)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61460596
13912,COc1cc2c(cc1OC)C1Cc3cccc(Cc4cccc5c(OC)cccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6831601
13913,COc1cc2c(cc1OC)C1Cc3cccc(NC(=O)Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.17129874
13914,COc1ccc(NC2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64985836
13915,COc1ccc(OCCC(F)Cc2ccc3c(c2)NC(=O)CC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.26023224
13916,COc1ccc(OCCCS(C)(=O)=O)cc1NC(=O)Cc1ccc2c(c1)NC(C)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.13608004
13917,COc1ccc(OCCN2CCC(Cc3cccc(F)c3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.6344869
13918,COc1ccc(OCCN2CCC(c3cccc(F)c3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.76339793
13919,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCC(c2ccc(C(C)C)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.17628206
13920,COc1ccc(OCCNCCc2cccc3ccc(F)cc23)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.20197262
13921,COc1ccc(OCCS(=O)(=O)N(C)C)cc1NCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07129488
13922,COc1ccc(OCCSCCCc2ccc(F)cc2)cc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.13052395
13923,COc1cccc(CC2CCN(CCOc3ccc(OF)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.63635695
13924,COc1cccc(CN2CCN(CCCCNC(=O)c3cccc(C)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57602787
13925,COc1cccc2c1CN1CCc3cc(-c4c(C)cccc4C)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6418076
13926,COc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.852797
13927,COc1ccccc1N1CCN(CCN2CCC(c3cnco3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87796015
13928,COc1ccccc1N1CCN(Oc2ccc(OCCCl)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4104434
13929,Cc1cc(OCCF)ccc1ON1CCN(C=[SH]Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28890407
13930,Cc1cc(OCCNC(=O)CCc2ccc3c(c2)NC(=O)CC3)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.055157866
13931,Cc1cc(OCCNCCc2cc3ccccc3s2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.18012719
13932,Cc1cc(OCCNCCc2ccccc2)ccc1ON=S(=O)(O)O,[*]CCOc1ccc(O[*])c([*])c1,0.15165229
13933,Cc1cc(OCC[N+](=O)[O-])ccc1ON1CCN(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.39524952
13934,ClC1CCN(CCN2CCN(c3ccccc3Oc3ccc(-c4ccccc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8967632
13935,ClCCCN1CCN(Cc2cccc(-n3ccc(-c4ccccc4)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6289725
13936,FC1CCN(CCN2CCN(c3ccccc3-c3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77608895
13937,Fc1cccc(CN2CCN(CCCCc3nc4ccccc4s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6953924
13938,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)c1cc2ccccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.71568495
13939,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68876594
13940,O=C(NCCCCN1CCN(Cc2cccc(Cl)c2)CC1)c1cccc2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6683016
13941,O=S(=O)(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1ccc(F)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.55829114
13942,O=S1(=O)CCc2ccccc2N1Cc1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.81226593
13943,Oc1cccc2c1CN1CCc3cc(CCc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7052795
13944,Oc1cnc2ccc(OC3CCN(CCN4CCN(c5ccccc5Cl)CC4)CC3)cc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.61071527
13945,C=COc1cccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6410394
13946,CC(=O)NCCOc1ccc(ON2CCNC2=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08254088
13947,CCCN1C(=O)CC(c2ccc(F)cc2)CC1Oc1ccc(OCCOC)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.20272605
13948,CCCOc1ccc(OCNCc2cc3ccccc3o2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11944833
13949,CCCOc1ccc(ON)c(N2C(=O)CCc3cc(CC4CCC4)ccc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2313466
13950,CCCOc1ccc(ON2C=CN(C(=O)OCC)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.103742585
13951,CCCOc1ccc(ON2CCN(c3ccccc3OCCF)CC2)c(OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40057904
13952,CCCOc1ccc(ONC(C)=O)c(NCCc2cccc3c2CC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14211683
13953,CCCOc1ccc(OOC)c(N2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39575148
13954,CCCOc1ccc(OOS(C)(=O)=O)c(NCc2cccs2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0599154
13955,CCCOc1ccc(OS(=O)(=O)NC)c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19456562
13956,CCCc1ccccc1S(=O)(=O)c1cc(OCCF)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.1319773
13957,CCNC(=O)Nc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39296597
13958,CCc1cc2c(cc1OCc1ccc(OC)cc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.680849
13959,CNOCc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74724275
13960,COC(C)c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7488377
13961,COC1CCN(CCN2CCN(c3ccccc3-c3cnc4ccccn34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6401988
13962,COCCCN1CCN(Cc2cccc(-c3ccc(-n4cccc4)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5557533
13963,COCCCN1CCN(Cc2cccc(C3=Cc4ccccc4C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5792055
13964,COCCOc1ccc(OC)c(CCNc2ccccn2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08832164
13965,COCCOc1ccc(OC)c(N2CCN(Cc3ccc(C)o3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5534962
13966,CON1CCN(CCNC(=O)c2ccc(N)c(-c3ccccc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.4283476
13967,COOc1ccc(OCCOC(=O)CCc2ccc3c(c2)CCCC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.08697878
13968,COc1cc(-c2cccc3c2CN2CCc4cc(OC)c(CO)cc4C2C3)ccc1C,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5002919
13969,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1cccc(O)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2695142
13970,COc1cc2c(cc1-c1cccc(CO)c1)CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5324811
13971,COc1cc2c(cc1O)C1Cc3cccc(NC(=O)Nc4cccc(Cl)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.2635569
13972,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(COC(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68086493
13973,COc1ccc(CCOc2ccc(OC)c(S(C)(=O)=O)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.0764427
13974,COc1ccc(OCCC(N)=O)cc1CCOc1ccccc1C,[*]CCOc1ccc(O[*])c([*])c1,0.039600134
13975,COc1ccc(OCCF)cc1CN1CCC(C(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5185459
13976,COc1ccc(OCCN2CCC(Cc3ccccc3C)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.54789674
13977,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCC(c2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.18383703
13978,COc1ccc(OCCNC(C)=O)cc1CN1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.34269845
13979,COc1ccc(OCCOC(=O)CCc2ccccc2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.029165909
13980,COc1ccc(OCCS(C)(=O)=O)cc1C(O)COc1ccc(CCF)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06241404
13981,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(F)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24360853
13982,COc1cccc2c1CN1CCc3cc(OCc4cccc5ccccc45)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6587721
13983,COc1ccccc1CCCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.74200356
13984,CSc1ccc(OC2CCN(CCOc3ccc(ON)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.5751391
13985,Cc1cc(OCCC=Cc2ccc(F)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07449358
13986,Cc1cc(OCCCCCc2ccccc2)ccc1OS(=N)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.06795459
13987,Cc1cc(OCCF)ccc1ON1Cc2ccccc2CC1C,[*]CCOc1ccc(O[*])c([*])c1,0.34107217
13988,Cc1cc(OCCN2CCCC(O)(c3ccc(F)cc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.45767918
13989,Cc1cc(OCCNC(=O)CCc2ccc3c(c2)CC(=O)CC3)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.04480319
13990,Cc1cc(OCCNCCc2ccc(F)cc2)ccc1ON1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.26171187
13991,Cc1cc(OCCNS(C)(=O)=O)ccc1ONCC1CCC(=O)Nc2cccc(c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.13838309
13992,Cc1cc(OCCN[SH](C)(C)=O)ccc1ON1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28498402
13993,ClCCCN1CCN(Cc2cccc(C3OCCCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60450447
13994,Fc1cccc(CN2CCN(CCCc3ccc(-c4ccco4)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56195897
13995,O=C(CCCCN1CCN(Cc2cccc(OC(F)(F)F)c2)CC1)N1CCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4053926
13996,O=C(Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2)Nc1cccc2ccccc12,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.317981
13997,O=S(=O)(c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)C(F)(F)F,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6920261
13998,O=[N+]([O-])c1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41760534
13999,Oc1cc2c(cc1COCc1ccccc1)C1Cc3cccc(Cc4ccc5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6216492
14000,Oc1ccc2nc(O)c(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)cc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7082962
14001,Oc1ccccc1N1CCN(CCN2CCC(Nc3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77042043
14002,C#Cc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79148763
14003,CC(C)c1ccccc1N1CCN(CCN2CCC(c3nccc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7582421
14004,CC(c1ccccc1)c1cccc2c1CN1CCc3cc(O)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73478466
14005,CCCOc1ccc(OC(C)=O)c(N2CCN(c3ccccc3C(C)C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12631695
14006,CCCOc1ccc(OCN=S(C)(=O)O)c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1834614
14007,CCCOc1ccc(OS(C)(=O)=O)c(CCOc2ccccc2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10223489
14008,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24964732
14009,CCc1ccc(CSCCOc2ccc(ON=S(C)(=O)O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.02840255
14010,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(C(F)(F)F)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7340723
14011,COC1CCN(CCN2CCN(c3ccccc3C(=O)N3c4ccccc4CC3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.61506987
14012,COCCCN1CCN(Cc2cccc(C3CC=C(NC(C)=O)CC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4546137
14013,COCCCN1CCN(Cc2cccc(Cc3ccc4[nH]c(S)nc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6333506
14014,CON1CCN(CCNC(=O)c2ccc(-c3ccc(C)cc3)c(O)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.15458643
14015,CON1CCN(CCNC(=O)c2ccc(C)c(-c3ccccc3Cl)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30461407
14016,COc1cc2c(cc1-c1cccc(COC(C)=O)c1)C1Cc3cccc(-c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43756062
14017,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccc(F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74521714
14018,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc(COC5CCC5)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67939925
14019,COc1cc2c(cc1O)CCN1Cc3c(cccc3NC(=O)c3ccc4ccccc4c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.31615576
14020,COc1cc2c(cc1OC(=O)c1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46497405
14021,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(-c5ccccc5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71566457
14022,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc(OC)c5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75997895
14023,COc1ccc(C(=O)NCCN2CCN(c3ccc(C)cc3OC)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.55488944
14024,COc1ccc(F)cc1S(=O)(=O)NOc1ccc(OCCF)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.053933877
14025,COc1ccc(OCCCCC(=O)c2cc3ccccc3s2)cc1CS(=O)(=O)N(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.05668069
14026,COc1ccc(OCCCN2CCC(c3ccccc3C)CC2)cc1C#N,[*]CCOc1ccc(O[*])c([*])c1,0.696994
14027,COc1ccc(OCCCS(C)(=O)=O)cc1N1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.30701217
14028,COc1ccc(OCCF)cc1N(C)CCc1cccc(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15757088
14029,COc1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.605434
14030,COc1ccc(OCCN2CCC(c3cccc(SC(F)(F)F)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6701675
14031,COc1ccc(OCCN2CCN(c3cc(C(F)(F)F)ccc3SC)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.655301
14032,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(c2ccc(CC3CCCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19363864
14033,COc1ccc(OCCNC(=O)c2ccc(-c3cccs3)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.019812915
14034,COc1ccc(OCCS(C)(=O)=O)cc1CCc1ccccc1OC1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.28465307
14035,COc1ccc(OCCS(C)(=O)=O)cc1NCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.22167054
14036,COc1cccc(CN2CCN(CCCCn3c(O)cc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72212577
14037,COc1cccc(COc2cccc3c2CN2CCc4cc(C)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63160825
14038,COc1cccc2c1CN1CCc3cc(N=S(C)(=O)O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5984323
14039,COc1ccccc1C1=CCN(CCOc2ccc(ONS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.41624907
14040,Cc1cc(OCCCC(=O)Sc2ccc(F)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.066590935
14041,Cc1cc(OCCNC(=O)Cc2ccc(F)cc2)ccc1ON1CCN(C=[SH](C)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.043787505
14042,Cc1cc(OCCNCc2cccs2)ccc1ON1CCC(O)=CS1,[*]CCOc1ccc(O[*])c([*])c1,0.20726222
14043,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CC(C)CCc2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.19040836
14044,Cc1ccccc1-c1cc(C(=O)NCCN2CCN(C)CC2)ccc1N,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33227935
14045,Cc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3ccc4cccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69825083
14046,ClC1CCN(CCN2CCN(c3ccccc3-c3cc(-c4ccccc4)on3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6690106
14047,FCc1cccc(CN2CCN(CCCCc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.80334765
14048,O=C(c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2)c1c[nH]c2ccccc12,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48016745
14049,O=C(c1nc2ccccc2s1)C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6653869
14050,O=C1c2ccccc2C(=O)N1c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6090638
14051,O=S(=O)(NCc1cccc(CN2CCN(CCCF)CC2)c1)c1cccs1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5786507
14052,O=S(O)(O)=Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6219072
14053,O=[N+]([O-])c1ccccc1Cc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50371414
14054,O=c1cccc(CCCN2CCN(Cc3cccc(F)c3)CC2)n1-c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6896775
14055,OCc1cc2c(cc1Cc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61401415
14056,Oc1cc2c(cc1Cc1ccco1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6779373
14057,Oc1nc2ccccc2cc1-c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6524322
14058,CC(=O)c1ccc(C2CCN(CCCOc3ccc(OS(=O)(=O)O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.5953821
14059,CCCNC1CCc2ccc(S(=O)(=O)NCCOc3ccc(ON)c(C)c3)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.26050472
14060,CCCOc1ccc(OCN2CCC(Cc3ccccc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4718573
14061,CCCOc1ccc(OF)c(C(=O)OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.018659892
14062,CCCOc1ccc(ON2CCC(c3ccc(CF)cn3)CC2)c(OC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14369349
14063,CCCOc1ccc(ON2CCN(c3ccccc3OC)CC2)c(C=CO)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33991188
14064,CCCOc1ccc(ONS(C)(=O)=O)c(CN2CCC(Cc3ccc(SC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40122294
14065,CCCOc1ccc(OS(C)(=O)=O)c(C(F)Cc2ccc(C3CNCCC3F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28276765
14066,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3ccccc3OC3CCCCC3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29604065
14067,CCCOc1ccc(OS(N)(=O)=O)c(N2CCCC(COc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29867777
14068,CCCOc1ccc(OSC)c(N2CCC(Cc3ccccc3)CC2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2706139
14069,CCOC(=O)CCCOc1ccc(OC)c(CNCC2CCc3c(cccc3SC)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21329856
14070,CCOCc1cc(OCCCN2CCN(c3ccccc3OCC)CC2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.9114572
14071,CCc1cc(OCCCN2CCN(c3ccccc3OC)CC2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.94113755
14072,CCc1ccccc1C1CCN(CCCOc2ccc(OC)c(O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.63765186
14073,COC1CCN(CCN2CCN(c3ccccc3-c3cnc(-c4ccc(F)cc4)o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71765375
14074,COC1CCN(CCN2CCN(c3ccccc3Cc3cc4ccccc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6891556
14075,COC1CCN(CCN2CCN(c3ccccc3S(=O)(=O)c3ccc(Cl)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68698174
14076,COCCCN1CCN(Cc2cccc(C(=O)c3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.47068846
14077,COCCOc1ccc(OCc2ccc(C(C)=O)cc2)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.62541485
14078,COCCOc1ccc(Oc2cccc(C(=O)c3ccccc3OC)c2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03553026
14079,COCc1cccc(-c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6902721
14080,CON1CCN(CCNC(=O)c2ccc(C(C)=O)c(-c3ccccc3[N+](=O)[O-])c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.34250692
14081,COc1cc(C(=O)NCCN2CCN(c3cccc([N+](=O)[O-])c3)CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.5562046
14082,COc1cc2c(cc1O)C1Cc3cccc(-c4cc(CO)cc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6338479
14083,COc1cc2c(cc1O)C1Cc3cccc(Cc4cccc(OC(F)(F)F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6418527
14084,COc1cc2c(cc1O)C1Cc3cccc(O[N+](=O)c4ccc([N+](=O)[O-])cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6170919
14085,COc1cc2c(cc1O)CCN1Cc3c(C=NO)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78181523
14086,COc1cc2c(cc1O)CCN1Cc3c(cccc3C3CC3C(C)=O)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51266587
14087,COc1cc2c(cc1OC)C1Cc3cccc(N4CCCCC4c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5852545
14088,COc1cc2c(cc1OCc1ccc(CO)cc1)C1Cc3cccc(C(=O)N(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4814808
14089,COc1ccc(C2CCN(CCN3CCN(c4ccccc4F)CC3)CC2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66507226
14090,COc1ccc(OCCC(=O)COc2cccc(SC)c2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.030914849
14091,COc1ccc(OCCCF)cc1CN1CCN(c2ccccc2OC)C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.2946556
14092,COc1ccc(OCCCS(C)(=O)=O)cc1CS(=O)(=O)Cc1ccc(OS(C)(=O)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.09340813
14093,COc1ccc(OCCCn2c(=O)ccc3ccccc32)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.1261029
14094,COc1ccc(OCCN2CCC(NS(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5743147
14095,COc1ccc(OCCN2CCC(c3cccc(CC(F)(F)F)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6808965
14096,COc1ccc(OCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.5462471
14097,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1CN1CCN(C(C)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.09423685
14098,COc1ccc(OCCNC(=O)c2cccs2)cc1CN1CCC(C(N)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3442809
14099,COc1cccc(CN2CCN(CCCCC(=O)c3cccs3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58791184
14100,COc1cccc(CN2CCN(CCCc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.79193103
14101,COc1cccc(OC)c1C(=O)c1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7445346
14102,COc1ccccc1N1CCN(CCN2CCC(c3cccc(-c4cccc(O)n4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8322325
14103,COc1ccccc1N1CCN(CCN2CCC(c3ccn(C(F)(F)F)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7884288
14104,COc1ccccc1N1CCN(CCN2CCC(c3nc[nH]n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8448407
14105,Cc1cc(OCCC=S)ccc1ON1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3106443
14106,Cc1cc(OCCCc2ccccc2)ccc1OCN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.313559
14107,Cc1cc(OCCN2CCC(c3ccccc3C)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.56193
14108,Cc1cc(OCCN=O)ccc1OCN1CCN(c2ccccc2C(C)C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5179686
14109,Cc1cc(OCCOC(=O)Cc2ccc3c(c2)CCCC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.053334683
14110,Cc1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66777384
14111,Fc1cccc(Cn2ccnc2C2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74184644
14112,NC(=O)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52224845
14113,O=S(=O)(NCCCCN1CCN(Cc2cccc(Cl)c2)CC1)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6410239
14114,CCCCNOc1ccc(OCCC)cc1CS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.058436923
14115,CCCCc1ccc(-c2cc(OCCC)ccc2OCS(N)(=O)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.081123084
14116,CCCNC(=O)Oc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47262174
14117,CCCOc1ccc(OCN2CCC(F)C(c3ccccc3OCC)C2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.59197134
14118,CCCOc1ccc(OOC)c(CC=Cc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20429167
14119,CCCOc1ccc(OOC)c(N2CCN(Cc3cccc(Cl)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.74811715
14120,CCCOc1ccc(OS(N)(=O)=O)c(NCCc2ccc(OC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07246415
14121,CCOC(=O)Nc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3344778
14122,CCOC1CCN(CCN2CCN(c3ccccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74580306
14123,CCOc1ccccc1C1CCN(CCCOc2ccc(OC)c(OC)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7387592
14124,CCSc1cccc(CN2CCN(CCOc3ccc(OC)c(SC)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5252505
14125,CCc1ccccc1S(=O)(=O)NOc1ccc(OCCF)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.079925396
14126,CN(C)C(=O)Nc1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.31602392
14127,CNOc1ccc(OCCN2CCN(c3ccccc3OCCF)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.7207969
14128,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4cccc(O)c4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7714968
14129,COCCCN1CCN(Cc2cccc(-c3ccc4nc(S)[nH]c4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6138295
14130,COCCCN1CCN(Cc2cccc(C(=O)c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.50070447
14131,COCCOc1ccc(OC)c(N2CCN(Cc3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.81846786
14132,COCCOc1ccc(OCCCc2ccc3ccc(=O)[nH]c3c2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11279504
14133,COCc1cc2c(cc1C(=O)Nc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38473317
14134,COc1cc2c(cc1O)C1Cc3cccc(Cc4cccc(N=CO)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.710967
14135,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)OCc4ccc5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49995893
14136,COc1cc2c(cc1OC)C1Cc3cccc(COCc4ccc(CO)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7510802
14137,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(cccc3C(C)C)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8174449
14138,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1cccc(C)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2364307
14139,COc1ccc(OCCC(=O)COc2ccccc2C)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.028452069
14140,COc1ccc(OCCN2CCC(Oc3ccc(CC4CCCCC4)cc3)CC2)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.47994015
14141,COc1ccc(OCCN2CCC(c3ccc(C(C)=O)cc3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.47934628
14142,COc1ccc(OCCN=O)cc1N1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27124876
14143,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC2(CCCCCC3CC3CCC2)CC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.1186313
14144,COc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1CN1CCC(S(=O)(=O)c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.17381914
14145,COc1ccc(OCCS(=N)(=O)O)cc1N1CCC(Oc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27976662
14146,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(c2ccc(CC(C)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.15380917
14147,COc1cccc(CN2CCN(CCCCCC(C(=O)c3ccccc3)N3CC3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59019536
14148,COc1cccc(CN2CCN(CCCCNC(=O)c3ccc4c(OC)cccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.577204
14149,COc1cccc(CN2CCN(CCCc3ccc4c(c3)CC(=O)C(=O)N4)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5531338
14150,COc1cccc(CN2CCN(CCCc3ccc4oc(O)cc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5674481
14151,COc1cccc2c1CN1CCc3cc(CO)c(C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6408649
14152,COc1ccccc1C(=O)Nc1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.28259262
14153,COc1ccccc1N1CCN(CCN2CCC(C(F)(F)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85186714
14154,COc1ccccc1N1CCN(CCN2CCC(c3nc4ccccc4n3-c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78736204
14155,COc1ccccc1N1CCN(CCN2CCC(n3c(-c4ccc(F)cc4)cnc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77951753
14156,COc1ccccc1N1CCN(CCOc2ccc(ONS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8007189
14157,CSc1ccc(C(=O)CCCOc2ccc(ON=S(C)(=O)O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.034072462
14158,C[SH](O)c1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67417806
14159,Cc1cc(OCCN=S(C)(=O)O)ccc1OCN1CCC(Oc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4671123
14160,Cc1cc(OCCNC(=O)COc2ccccc2)ccc1OCN1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.13755903
14161,Cc1cc(OCCNC(=O)c2ccc(F)cc2)ccc1OOC1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19070363
14162,Cc1cc(OCCNCCc2ccccc2)ccc1OC=[SH]O,[*]CCOc1ccc(O[*])c([*])c1,0.17732549
14163,Cc1cc(OCCOC(=O)CCc2ccccc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.03843435
14164,ClCCCN1CCN(Cc2cccc(-c3cc4ccccc4s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68317246
14165,Clc1cccc(CN2CCN(CCCCc3cccc(-c4ccccc4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.8160844
14166,FCCCN1CCN(Cc2cccc(Cc3ccc4occc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66362303
14167,FCCCN1CCN(Cc2cccc(N3CCCC(Cc4ccccc4)C3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.680372
14168,Fc1ccc(-n2cc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)cn2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8021526
14169,Fc1cccc(CN2CCN(CCCCc3ccc4ccccc4n3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58792514
14170,NC(=O)c1ccc2c(CCCN3CCN(Cc4cccc(F)c4)CC3)cccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56657463
14171,Oc1cc2c(cc1O)C1Cc3cccc(Cc4ccc[nH]4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6983949
14172,C=Cc1cccc(-c2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6238224
14173,CC(=O)NCCOc1ccc(OCN2CCC(C(=O)c3ccc(F)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34163496
14174,CC(=O)ON1CCN(CCNC(=O)c2ccc(C)c(-c3ccccc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32850853
14175,CC(C)(C)NC(=O)NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81528103
14176,CCCC(=O)N1c2ccccc2CCC1CCCOc1ccc(OC)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1731944
14177,CCCOc1ccc(OF)c(CN2CCN(c3cccc(OC)c3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.643688
14178,CCCOc1ccc(OF)c(CNC(=O)CN2CCC(C(=O)O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1381446
14179,CCCOc1ccc(ON=CS(C)(=O)=O)c(NCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.063396856
14180,CCCOc1ccc(OSC)c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30076444
14181,CCOC(=O)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35569137
14182,COC1CCN(CCN2CCN(c3ccccc3-n3c(O)ccc3-c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5951978
14183,COC1CCN(CCN2CCN(c3ccccc3-n3cnc(O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.784887
14184,COC1CCN(CCN2CCN(c3ccccc3NC(=O)Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.38472614
14185,COC1CCN(CCN2CCN(c3ccccc3NC(=O)OCCc3ccc(C#N)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.38283494
14186,COOc1ccc(OCCc2ccc(F)cc2)cc1Cc1cn(CCCO)c2ccccc12,[*]CCOc1ccc(O[*])c([*])c1,0.15351161
14187,COc1cc(C)ccc1OCCCCOc1ccc(ON=S(C)(=O)O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08927389
14188,COc1cc2c(cc1COCc1ccccc1)C1Cc3cccc(C(=O)OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4170945
14189,COc1cc2c(cc1Cl)CCN1Cc3c(COCc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.731162
14190,COc1cc2c(cc1O)C1Cc3cccc(-c4ccccc4OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59002346
14191,COc1cc2c(cc1O)C1Cc3cccc(OCC(F)(F)F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8046844
14192,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(C)[nH]4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6876589
14193,COc1ccc(C(=O)NCCN2CCN(O)CC2)cc1-c1ccc(Cl)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.28269723
14194,COc1ccc(CC2CCN(Oc3ccc(OCCNC(C)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.10298452
14195,COc1ccc(OCCC(N)=O)cc1C1CCN(Cc2ccc(F)cc2F)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.43130866
14196,COc1ccc(OCCC(N)=O)cc1CNc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.024941675
14197,COc1ccc(OCCC2(c3ccc(SC(F)(F)F)cc3)CCNCC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.117466316
14198,COc1ccc(OCCCSCc2ccc(F)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.091828525
14199,COc1ccc(OCCN2CCC(NC(=O)c3cccc(C(C)C)c3)C2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.48423216
14200,COc1ccc(OCCN2CCN(c3ccc(F)cc3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.81009525
14201,COc1ccc(OCCN=S(=O)(O)O)cc1N1CCC(Cc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.32146624
14202,COc1ccc(OCCN=S(C)(=O)O)cc1-c1ccc(C2CCCNC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.14265017
14203,COc1ccc(OCCNC(C)=O)cc1N1CCN(C(=O)Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.08907743
14204,COc1ccc(OCCNS(C)(=O)=O)cc1N1CC=C(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.37342256
14205,COc1cccc(CC(=O)NCCOc2ccc(OOS(C)(=O)=O)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.014894497
14206,COc1cccc(CN2CCN(CCCC3CNc4ccccc4C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63094985
14207,COc1cccc(CN2CCN(CCCCNS(=O)(=O)c3ccc4ccccc4n3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6010584
14208,COc1cccc(CN2CCN(CCCCc3cccc4c3NC(=O)CC4)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7571427
14209,COc1cccc(NC(=O)C2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5019352
14210,COc1ccccc1-c1cc(C(=O)NCCN2CCN(C=O)CC2)ccc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.43285835
14211,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3cccs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8529614
14212,COc1ccccc1N1CCN(COc2ccc(OCCC(F)COc3ccccc3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.54792315
14213,CSc1ccccc1C1CCN(CCOc2ccc(OS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6388193
14214,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCS4)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5586879
14215,Cc1cc(OCCN2CCC(Oc3ccccc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5813405
14216,Cc1cccc(CN2CCN(CCCCSc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63383704
14217,Cc1cccc2c1CN1CCc3cc(O)c(Oc4ccc(CO)cc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5958968
14218,Clc1ccccc1N1CCN(CCN2CCC(c3nc(-c4ccccc4)co3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8199793
14219,Fc1cccc(CN2CCN(CCCc3ccc(-c4ccccc4)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.71066636
14220,O=C1c2ccccc2C(=O)N1c1cccc(CN2CCN(CCCOC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6405532
14221,O=C1c2ccccc2S(=O)(=O)N1CCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6680279
14222,Oc1ccc(Cc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)nn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7121706
14223,Oc1ccc2c(c1)CCC(c1ccccc1N1CCN(CCN3CCC(Cl)CC3)CC1)O2,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6746905
14224,Oc1cccc(CNCc2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57806015
14225,Oc1cccc2c1CN1CCc3cc(SOc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7187664
14226,Oc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccc(F)cc4)ccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7558913
14227,Oc1cccnc1C1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7958837
14228,C=[SH](=O)OOc1ccc(OCCN2CCC(O)(c3ccc(Br)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5184107
14229,CC(=O)c1cccc2c1CN1CCc3cc(O)c(CO)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50856954
14230,CC1OC(CCCN2CCN(Cc3cccc(Cl)c3)CC2)=CC1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5414352
14231,CCCOc1ccc(OCC(=O)c2ccccc2)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5588471
14232,CCCOc1ccc(OCN2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.45422798
14233,CCCOc1ccc(OF)c(N2CCN(CCc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7915374
14234,CCCOc1ccc(ON2C=CN(C(C)=O)CC2)c(CN2CCC(C(F)(F)F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38611704
14235,CCCOc1ccc(ON=S(C)(=O)O)c(NC(=O)Cc2ccc3c(c2)N(C)C(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08539515
14236,CCCOc1ccc(ONS(C)(=O)=O)c(NCCCc2ccc3c(c2)OC(=O)CCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17785807
14237,CCCOc1ccc(OS(C)(=O)=O)c(-c2ccc(CC(F)(F)F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06716524
14238,CCCOc1ccc(OS(C)(=O)=O)c(N(CCC)C2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27396384
14239,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)COc2ccc(C3CCCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.02777362
14240,CCCOc1ccc(OS(N)(=O)=O)c(N2CCCC(Cc3ccc(OC4CCCC(=O)N4)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21080379
14241,CCCc1ccn(CCCOc2ccc(ON=S(C)(=O)O)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10242512
14242,CCOOc1ccc(OCCN2CCN(c3ccc(Cl)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.71542424
14243,CCOc1ccccc1N1CCN(CCOc2ccc(ONS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7130024
14244,CCc1ccc(S(=O)(=O)NCCCOc2ccc(OC)c(S(C)(=O)=O)c2)s1,[*]CCOc1ccc(O[*])c([*])c1,0.063047454
14245,CCc1ccccc1N1CCN(CCN2CCC(NC(=O)C=Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70025057
14246,CN(C)Cc1cccc2c1CN1CCc3cc(O)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6713976
14247,CNc1ccc(C(=O)C2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79021156
14248,COCCOc1ccc(OC)c(CCNC(=O)c2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03828046
14249,COCCOc1ccc(OCCc2ccc(F)cc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09728705
14250,COCCOc1ccc(OF)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.081507556
14251,COCCOc1ccc(ON2CCOC(CCc3ccccc3)C2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.293839
14252,COc1cc(C(=O)NCCN2CCN(O)CC2)ccc1-c1ccccc1OCCF,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3219934
14253,COc1cc2c(cc1C(=O)Nc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3888863
14254,COc1cc2c(cc1C)CCN1Cc3c(Cc4cccc([N+](=O)O)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5295792
14255,COc1cc2c(cc1C)CCN1Cc3c(cccc3OS(=O)(=O)C(F)(F)F)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6300843
14256,COc1cc2c(cc1CO)CCN1Cc3c(C#N)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7886404
14257,COc1cc2c(cc1O)C1Cc3cccc(NC(=O)c4ccc5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39253598
14258,COc1cc2c(cc1OC)C1Cc3cccc(O[N+](C)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7559148
14259,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(Cc4ccc(C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53927594
14260,COc1ccc(COc2cccc3c2CN2CCc4cc(OC)c(OCc5ccccc5)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7068971
14261,COc1ccc(OCCCCNC(=O)c2ccc(F)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.041157786
14262,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.6727414
14263,COc1ccc(OCCN2CCCC(Cc3cccs3)C2)cc1S,[*]CCOc1ccc(O[*])c([*])c1,0.51649517
14264,COc1ccc(OCCNC(=O)c2ccc(OC3CCNCC3)cc2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.09148202
14265,COc1ccc(OCCNCCc2ccc(F)cc2)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10141208
14266,COc1ccc(OCCNS(C)(=O)=O)cc1CCSc1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06325758
14267,COc1ccc(OCCS(C)(=O)=O)cc1Cc1ccc(C(F)(F)F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.08788298
14268,COc1cccc(CN2CCN(CCCCc3ccc4c(c3)C(=O)N(c3ccccc3)C4=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70798373
14269,COc1cccc(CN2CCN(CCCCc3cccc(NC(=O)C(C)C)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.38877502
14270,COc1ccccc1C(=O)c1ccccc1N1CCN(CCN2CCC(C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66732883
14271,COc1ccccc1NC1CCN(CCOc2ccc(ONS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5662017
14272,CSOc1ccc(OCCN2CCC(c3ccc(C=O)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6222846
14273,Cc1cc(OCCN2CCN(Cc3ccc(F)cc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.36109918
14274,Cc1cc(OCCNC(=O)CCc2ccc3c(c2)CC(=O)CC3)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.044530395
14275,Cc1cccc2c1CN1CCc3cc(C4CCCCC4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43700212
14276,ClC1CCN(CCN2CCN(c3ccccc3-c3noc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7021795
14277,N#Cc1ccc(C(=O)Nc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.44614375
14278,O=C(CCCN1CCN(Cc2cccc(F)c2)CC1)C1Cc2ccccc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66108316
14279,O=S(=O)(NC1CCN(CCN2CCN(c3ccccc3OC(F)(F)F)CC2)CC1)c1cccc(F)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7758866
14280,O=[N+](Oc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)c1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66413444
14281,Oc1ccc(F)cc1C1CCN(CCN2CCN(c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6591427
14282,Oc1ccc2c(c1)cc(O)n2-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76604956
14283,CC(O)c1ccccc1N1CCN(CCN2CCC(c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6839904
14284,CC1(C)Cc2ccccc2OC1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64182734
14285,CC=S(O)(O)=NCCOc1ccc(OCNCc2ccccc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0955304
14286,CCCCN1CCN(Cc2cccc(CNC(=O)c3cccs3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.38905314
14287,CCCCn1cc(CCOc2ccc(OCN3CCN(c4ccccc4OC)CC3)c(C)c2)cn1,[*]CCOc1ccc(O[*])c([*])c1,0.60779744
14288,CCCOc1ccc(OF)c(N2CCN(Cc3ccc(NC=O)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40221176
14289,CCCOc1ccc(ON(C)S(C)(=O)=O)c(CN2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5299233
14290,CCCOc1ccc(ONC(=O)c2ccccc2)c(NC(=O)Nc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0101204645
14291,CCCOc1ccc(ONS(C)(=O)=O)c(C(N)CCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08174133
14292,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(CCc3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25154987
14293,CCCOc1ccc(OS(C)(=O)=O)c(NCCC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.02983569
14294,CCCOc1ccc(OS(C)(=O)=O)c(NCc2ccc(OC3CCNCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20203577
14295,CCCOc1ccc(OSC)c(N2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4573652
14296,CCOC(=O)Nc1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.29220808
14297,CCOc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.770267
14298,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccncc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.46359247
14299,COC1CCN(CCN2CCN(c3ccccc3Oc3cc(C(F)(F)F)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8322703
14300,COCCCN1CCN(Cc2cccc(COc3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5415804
14301,COCCCN1CCN(Cc2cccc(Cc3cc4ccccc4oc3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5803758
14302,COc1cc(C(=O)NCCN2CCN(c3ccccc3)CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.67797613
14303,COc1cc2c(cc1C=NOCc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73579365
14304,COc1cc2c(cc1O)C1Cc3cccc(C(=O)Nc4cc5ccccc5cc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46069926
14305,COc1cc2c(cc1O)CCN1Cc3c(cccc3NS(C)(=O)=O)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4877173
14306,COc1cc2c(cc1OCCF)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76769286
14307,COc1ccc(C(=O)NC2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65168047
14308,COc1ccc(C(=O)NCCN2CCN(N)CC2)cc1-c1cccc(Cl)c1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30725202
14309,COc1ccc(C2CCN(CCOc3ccc(OC)c([SH](C)(=O)[O-])c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.57961345
14310,COc1ccc(OCCC(C)=O)cc1N1CCC(CCc2ccccn2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18520701
14311,COc1ccc(OCCCSCc2ccc(F)cc2)cc1C(=O)Nc1ccc(SC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.011612396
14312,COc1ccc(OCCNS(C)(=O)=O)cc1-c1ccc(C2CCNCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.18101701
14313,COc1ccc2c(c1)cc(O)n2-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7293631
14314,COc1cccc(C=C(O)c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7715417
14315,COc1cccc(CN2CCN(CCCC3NC(=O)Cc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68845713
14316,COc1cccc2c1CN1CCc3cc(C)c(OCc4cccnc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62223953
14317,COc1cccc2c1CN1CCc3cc(OCc4ccncc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.641344
14318,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccn(C)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8096367
14319,COc1ccccc1N1CCN(CCN2CCC(Oc3ccc4ccc(=O)oc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8257355
14320,COc1ccccc1NC(=O)c1cc(OCCNC(=O)c2ccc(F)cc2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.017811302
14321,CS(=O)(O)=NOc1ccc(OCCF)cc1CN1CCCC(CCc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.27393302
14322,Cc1c(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)nc(-c2ccccc2)n1C,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7316947
14323,Cc1cc(OCCCC(=O)c2ccc(F)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.08775085
14324,Cc1cc(OCCN2CCC(COc3ccc4c(c3)NC(=O)CCC4)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.61715865
14325,Cc1cc(OCCN2CCc3ccccc3C2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.54345655
14326,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(Oc2ccc(CC3CCCCC3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.17521827
14327,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCCC(COc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.19553858
14328,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.23223628
14329,Cc1cc2c(cc1CO)C1Cc3cccc(N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5782141
14330,Cc1ccc(CNOc2ccc(OCCN=S(C)(=O)O)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.049685773
14331,Clc1cccc(CN2CCN(CCCCOc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.73629063
14332,FC(F)(F)c1ccccc1N1CCN(CCN2CCC(c3cc4ccccc4o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7656486
14333,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)c1nc2ccccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6720686
14334,O=C(NCc1cccc(CN2CCN(CCCCl)CC2)c1)c1cc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.52274746
14335,O=S(=O)(NCCCN1CCN(Cc2cccc(Cl)c2)CC1)c1cccc2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5104845
14336,OC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccc(F)cc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7304878
14337,Oc1cc(CCc2ccccc2N2CCN(CCN3CCC(O)CC3)CC2)c2ccccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65492773
14338,Oc1cc2c(cc1COCc1ccccc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71999073
14339,Oc1ccccc1-c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69204545
14340,CC(=O)Nc1ccc(Cc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.30990207
14341,CC(=O)Nc1cccc(CN2CCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21260694
14342,CC(=O)ON1CCN(CCNC(=O)c2ccc(C)c(-c3ccc(Cl)cc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27611697
14343,CC(C)Oc1ccccc1N1CCN(CCN2CCC(C(=O)Nc3cccc(F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7187159
14344,CC(C)c1ccccc1N1CCN(CCN2CCC(Cc3cc4ncccc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6460394
14345,CCCOc1ccc(OC(O)COc2ccc3c(c2)NC(=O)CC3)c(CSC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23888431
14346,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(Oc3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23887727
14347,CCCOc1ccc(ONC)c(N2CCCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24068697
14348,CCCOc1ccc(ONCCCF)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11647285
14349,CCCOc1ccc(OS(C)(=O)=O)c(C2CCN(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.56015044
14350,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Oc3ccc(CCCF)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21562316
14351,CN1CCN(COc2ccc(OCCc3ccc(F)cc3)cc2C=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.33286837
14352,CN=S(=O)(O)CCOc1ccc(OC)c(CN2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.43432254
14353,COC1CCN(CCN2CCN(c3ccccc3-c3cnc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7340339
14354,COC1CCN(CCN2CCN(c3ccccc3-n3ccc(-c4ccccn4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.739985
14355,COC1CCN(CCN2CCN(c3ccccc3NC(=O)NCc3cccc(F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.43336657
14356,COCCOc1ccc(OCNc2ccccc2OC)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07467336
14357,COOc1ccc(OCCNC(=O)COc2ccc3c(c2)NC(C)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.12705748
14358,COOc1ccc(OCCc2ccccc2OC)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.17529573
14359,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1cccc([N+](=O)[O-])c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.18897484
14360,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32188827
14361,COc1cc2c(cc1C=Nc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68353736
14362,COc1cc2c(cc1COCc1cccc(C#N)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6687254
14363,COc1cc2c(cc1O)C1Cc3cccc(C=NCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7351079
14364,COc1ccc(-c2cc(C(=O)NCCN3CCN(OC)CC3)ccc2OC)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.22501844
14365,COc1ccc(C(=O)NCCN2CCN([N+](=O)[O-])CC2)cc1-c1cccc(C)c1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.20702244
14366,COc1ccc(COc2cc3c(cc2OC)CCN2Cc4c(Cc5cccc(C(F)(F)F)c5)cccc4CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62140685
14367,COc1ccc(OC)c(-c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72723925
14368,COc1ccc(OCCC(O)COc2ccc3c(c2)NC(=O)CC3)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1536337
14369,COc1ccc(OCCCF)cc1CN1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.47793874
14370,COc1ccc(OCCCS(=O)(=O)c2ccccc2C(C)F)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.085473225
14371,COc1ccc(OCCN2CCC(OC3=CC=C4C=CC4CCCCC3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3926338
14372,COc1ccc(OCCS(C)(=O)=O)cc1Cc1ccc(OCCF)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.072289094
14373,COc1ccc(OCCc2cccc(OCC(F)(F)F)c2)cc1CN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.26827392
14374,COc1ccc2ccc(C3CCN(CCN4CCN(c5ccccc5Cl)CC4)CC3)nc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70452565
14375,COc1ccccc1C1CCN(CCN2CCN(c3ccccc3C(C)(C)C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78207445
14376,COc1ccccc1C1CCN(Oc2ccc(OCCOS(C)(=N)=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29908246
14377,COc1ccccc1N1CCN(CCN2CCC(c3cc4ccccn4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8531713
14378,COc1ccccc1N1CCN(CCOc2ccc(OCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.81833315
14379,CSC1CCN(CCN2CCN(c3ccccc3Cc3cc4ccccn4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67482364
14380,CSc1ccc(OC2CCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.49819654
14381,Cc1cc(OCCF)ccc1OCNS(=O)(=O)c1ccc(CC(F)(F)F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.02699568
14382,Cc1cc(OCCF)ccc1ON1CCC(Cc2ccc(OC3CCN(C(N)=O)CC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.092857294
14383,Cc1cc(OCCN2CCC(COc3ccc4c(c3)NC(=O)CC4)CC2)ccc1O[N+](=O)[O-],[*]CCOc1ccc(O[*])c([*])c1,0.45639795
14384,Cc1cc(OCCS(=O)(=O)O)ccc1ON1CCC(c2ccc(CC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18141398
14385,Cc1cc(OCCS(C)(=O)=O)ccc1ONCCc1ccc2c(c1)CC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.08281641
14386,Cc1ccc2[nH]cc(Cc3cc4c(cc3O)C3Cc5cccc(O)c5CN3CC4)c2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5685804
14387,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6841398
14388,Fc1ccc(SCCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6106396
14389,N#Cc1ccc(Oc2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7475911
14390,O=C1c2ccccc2C(=O)N1CCc1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69152457
14391,O=[N+](Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)c1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5173659
14392,Oc1cc2c(cc1-c1cccc[nH]c3c(c1)-c1ccccc1-3)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5617266
14393,CC(=O)c1ccc(CCNOc2ccc(OCCOS(C)(=O)=O)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.022761947
14394,CC(O)C1CCN(CCN2CCN(c3ccccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7290057
14395,CCC(=O)Oc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.564668
14396,CCCCCCOc1ccc(OOC)c(CCC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.075182386
14397,CCCNc1cccc2c1CN1CCc3cc(Cl)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48697582
14398,CCCOc1ccc(OC(C)COc2ccccc2)c(OC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.034515727
14399,CCCOc1ccc(OC)c(NS(=O)(=O)c2cscc2CCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.084067434
14400,CCCOc1ccc(OC)c(NS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.073070474
14401,CCCOc1ccc(OCc2ccc(F)cc2)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.75653994
14402,CCCOc1ccc(ON2CCC(CC(=O)c3ccc(F)cc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29551056
14403,CCCOc1ccc(ON2CCCC(OC(C)=O)C2)c(CCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19158195
14404,CCCOc1ccc(ON2CCN(c3ccccc3OCC)CC2)c(OCCN)c1,[*]CCOc1ccc(O[*])c([*])c1,0.44060794
14405,CCCOc1ccc(ONCCc2ccc(F)cc2)c(NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.024099804
14406,CCCOc1ccc(ONS(C)(=O)=O)c(C(C)CCc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21290557
14407,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24349245
14408,CCCOc1ccccc1-c1cc(OCCOC)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.14437126
14409,CCCc1ccc(OC2CCN(CCOc3ccc(ON=S(C)(=O)O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.46086347
14410,CCOc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(OC)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.621282
14411,CCOc1ccccc1N1CCN(CCN2CCC(c3ccc(F)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83435893
14412,COC(=O)c1cc(OCCN2CCCC(c3ccccc3)C2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.3446992
14413,COC1CCN(CCN2CCN(c3ccccc3CCN(C)C3CCc4ccc(O)cc4C3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.733652
14414,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4cnc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8244934
14415,COC1CCN(CCN2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5876673
14416,COCCCN1CCN(Cc2cccc(CN3COc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59196126
14417,COCCCN1CCN(Cc2cccc(NS(=O)(=O)c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.40651336
14418,COCCOc1ccc(OC)c(CN2CCN(c3ccc(C(C)=O)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4244132
14419,COOc1ccc(OCCc2ccc(F)cc2)cc1CCNc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.10699506
14420,COc1cc2c(cc1C(=O)Nc1cccc(Cl)c1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3150507
14421,COc1cc2c(cc1O)C1Cc3cccc(NC(=O)OCc4ccc5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39865068
14422,COc1cc2c(cc1OC)C1Cc3cccc(Cc4cccc(C)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6755744
14423,COc1ccc(OCCF)cc1CNCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.16238323
14424,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCC4)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5438143
14425,COc1ccc(OCCN2CCC(c3cccc(C(F)(F)F)c3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.6906422
14426,COc1ccc(OCCNCC2CCc3ccc(F)cc3C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.31348404
14427,COc1cccc(CCC(=O)CCOc2ccc(OC)c(S(C)(=O)=O)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03530711
14428,COc1cccc2c1CN1CCc3cc(C4(O)CCCCC4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6053331
14429,COc1ccccc1CC1CCN(CCN2CCN(c3ccccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79334
14430,COc1ccccc1N1CCN(CCN2CCC(c3ccc(C(C)=O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8270293
14431,CS(=O)(=O)c1ccc(CC2CCN(Oc3ccc(OCCN4CCCC4=O)cc3Cl)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.19602543
14432,CSOc1ccc(OCCNCC2CCc3ccc(OCC(F)(F)F)cc3C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.21497041
14433,CSc1cc2c(cc1O)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7681065
14434,CSc1ccc(CCN2CCN(c3cc(OCCF)ccc3ONC(C)=O)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.59425026
14435,CSc1ccccc1N1CCN(CCN2CCC(Cn3c(O)nc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5846693
14436,Cc1cc(OCCN2CCC(NC(=O)C=Cc3ccccc3)C2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.45895448
14437,Cc1cc(OCCN2CCC(NC(=O)c3ccc(Cl)c(Cl)c3)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4344957
14438,Cc1cc(OCCN2CCC(NS(=O)(=O)c3cccc(F)c3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.65884745
14439,Cc1cc(OCCN2CCOC(CCc3ccc(F)cc3)C2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.36831266
14440,Cc1cc(OCCNC(=O)c2cccs2)ccc1ON1CCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.06569178
14441,Cc1cc(OCCNCc2ccco2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06321121
14442,Cc1cc(OCCNc2ccccc2)ccc1OCN1COCC(C)C1,[*]CCOc1ccc(O[*])c([*])c1,0.1709566
14443,ClCCCN1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6332306
14444,FC(F)(F)CCCN1CCN(Cc2cccc(-n3ccc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61947364
14445,N#Cc1ccc(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8445258
14446,N#Cc1ccc(O)c(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8071747
14447,O=C(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1cc2ccccc2cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.45727238
14448,O=Cc1cc2c(cc1F)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68506235
14449,O=[N+]([O-])c1cccc(Cc2cc3c(cc2O)C2Cc4cccc(OCc5ccccc5)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45874757
14450,OCc1cccc(CN2CCN(CCCC3OCCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60791504
14451,Oc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(-c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6108143
14452,C#Cc1cccc(Cc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63823426
14453,C=Cc1ccccc1-c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5887334
14454,CC(C)c1ccccc1N1CCN(CCN2CCC(n3ccc(-c4cccnc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6519892
14455,CCCOc1ccc(OCC(O)c2ccc(F)cc2)c(CNC(=O)C2CCCN2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12185951
14456,CCCOc1ccc(OCN2CCN(c3ccccc3OCC)CC2)c(C(=O)NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6701897
14457,CCCOc1ccc(ONC=O)c(N2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32168606
14458,CCCOc1ccc(OOC)c(N2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24799298
14459,CCCOc1ccc(OS(C)(=O)=O)c(C(=O)Cc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16558182
14460,CCCOc1ccc(OS(C)(=O)=O)c(CC2CC(=O)c3ccc(CC4CCCCC4)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19776054
14461,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(c3ccccc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24394381
14462,CN(C)S(=O)(=O)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55367005
14463,COC(=O)c1cc(OCCN2CCCC(C(=O)c3ccc(F)cc3)CC2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.50918955
14464,COC1CCN(CCN2CCN(c3ccccc3COc3cccc(F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8234566
14465,COC1CCN(CCN2CCN(c3ccccc3Cc3ccc4ccc(=O)oc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69306463
14466,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9106327
14467,COC=COc1ccc(OCCN2CCC(Nc3ccc(F)c(F)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.30457243
14468,COCCOc1ccc(OC)c(N2CCCN(c3ccccc3Cl)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35409564
14469,COOc1ccc(OCCF)cc1CN1CCCN(c2ccc(C)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5314203
14470,COOc1ccc(OCCN2CCC(NC(=O)c3ccc(-c4ccccc4)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.46992365
14471,COc1cc2c(cc1-c1cccc(Oc3ccccc3)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5662436
14472,COc1cc2c(cc1CC1CC1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76100713
14473,COc1cc2c(cc1OC)C1Cc3cccc(CCNc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54633814
14474,COc1cc2c(cc1OC)C1Cc3cccc(Oc4cccc(C)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7214384
14475,COc1ccc(CN2CCN(Oc3ccc(OCCNS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.290107
14476,COc1ccc(N(C)C)cc1-c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6891307
14477,COc1ccc(OCCC(N)=O)cc1N1CCC(c2coc3cc(F)ccc23)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.16155855
14478,COc1ccc(OCCCNCc2ccccc2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.19874579
14479,COc1ccc(OCCN2CCCC(Cc3ccc4c(c3)NC(=O)CC4)C2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.512861
14480,COc1ccc(OCCN=S(C)(=O)O)cc1CCOc1ccccc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.07750613
14481,COc1ccc(OCCNC(=O)COc2ccc(F)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.035980772
14482,COc1ccc(OCCNC(=O)Cc2ccc3c(c2)CCC(=O)N3)cc1OC(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.053646367
14483,COc1ccc(OCCNC=O)cc1N1CCC(COc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.38738132
14484,COc1ccc(OCCNS(=O)(=O)Cc2ccc(F)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.106880404
14485,COc1ccc(OCCS(=O)(=O)C(F)(F)F)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.06701627
14486,COc1cccc(CN2CCN(CCCC3Oc4ccccc4CC3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67452806
14487,COc1cccc2c1CN1CCc3cc([N+](=O)c4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62891346
14488,COc1ccccc1N1CCN(C)C(Oc2ccc(OCCF)cc2C)C1,[*]CCOc1ccc(O[*])c([*])c1,0.36953136
14489,COc1ccccc1N1CCN(CCN2CCC(c3nccc(O)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81342244
14490,COc1ccccc1N1CCN(CCN2CCC(n3cc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8879264
14491,Cc1cc(OCCCOCCc2ccc3c(c2)NC(=O)CC3)ccc1ON=S(=O)(O)O,[*]CCOc1ccc(O[*])c([*])c1,0.21098606
14492,Cc1cc(OCCN(C)C)ccc1ONCCc1ccc2c(c1)CC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.09594633
14493,Cc1cc(OCCN2CCC(c3ccccc3C)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6048054
14494,Cc1cc(OCCNCCc2ccc(F)cc2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16739695
14495,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCC(Oc2ccc3c(c2)NC(=O)CCC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4169004
14496,Cc1cccc(N2CCN(CCNC(=O)c3ccc(Br)c(C)c3)CC2)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.6269523
14497,Cc1ccccc1N1CCN(CCN2CCC(c3nc(-c4ccccc4)cs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.677451
14498,ClCCCN1CCN(Cc2cccc(-c3ccc4c(c3)OCCO4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5362187
14499,Cn1cnc(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7643774
14500,FCCOc1cccc(CN2CCN(CCCCc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.74816793
14501,N#Cc1cccc(Cc2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6613039
14502,N#Cc1ccccc1-c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6531986
14503,N#Cc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77855945
14504,O=C(Cc1cccc(CN2CCN(CCCCl)CC2)c1)N1CCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.41564494
14505,O=C1c2ccccc2CN1Cc1cccc(CN2CCN(CCCOC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7409746
14506,O=S(=O)(c1ccc(F)cc1)C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70461464
14507,CC(=O)C1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75157225
14508,CC(=O)c1cccc(C2CCN(CCOc3ccc(ON)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.60168207
14509,CCC(=O)Nc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.334706
14510,CCCOc1ccc(OC(=O)COc2cccc(NC)c2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.016603239
14511,CCCOc1ccc(OC)c(NS(=O)(=O)c2ccc(CCNC)c(Cl)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06604325
14512,CCCOc1ccc(OCN2CCN(c3ccc(F)cc3)CC2)c(OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5587163
14513,CCCOc1ccc(OF)c(N2CCN(CCOC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6570066
14514,CCCOc1ccc(ON)c(N2CCCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28180775
14515,CCCOc1ccc(ON2CCCN(c3ccccc3OC)CC2)c(N)c1,[*]CCOc1ccc(O[*])c([*])c1,0.361883
14516,CCCOc1ccc(ON2CCN(c3ccccc3F)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3317362
14517,CCCOc1ccc(ONS(C)(=O)=O)c(C2CCC(Cc3ccc4c(c3)CCC(=O)N4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20135646
14518,CCCOc1ccc(OO)c(NCCC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.031549096
14519,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCC(Cc3ccc4c(c3)CC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36007017
14520,CCCOc1ccc(OS(C)(=O)=O)c(CCOc2cc3c(cc2OC)CCC(=O)NC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24656232
14521,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC=C(F)C=CC3=NC(CC2)C3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24680482
14522,CCCOc1ccc(OS(C)(=O)=O)c(NCCc2cc3ccccc3s2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08422949
14523,CCCOc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7895595
14524,CCOc1ccccc1N1CCN(CCN2CCC(CCc3cc(O)nc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66794693
14525,COCCOc1ccc(Oc2cccc(C)c2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12627698
14526,COc1cc2c(cc1CO)CCN1Cc3c(cccc3C(C)=O)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5525284
14527,COc1cc2c(cc1Cl)CCN1Cc3c(cccc3-c3c(OC)cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6426346
14528,COc1cc2c(cc1N1CCCCC1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46199775
14529,COc1cc2c(cc1O)C1Cc3cccc(C(=O)c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5638683
14530,COc1cc2c(cc1O)CCN1Cc3c(cccc3C3CCC(O)CC3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7673159
14531,COc1cc2c(cc1O)CCN1Cc3c(cccc3C3CCN(Cc4ccc([N+](=O)[O-])cc4)CC3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4783151
14532,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(Cc5ccccc5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70021284
14533,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc5[nH]c(C(N)=O)cc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4488506
14534,COc1ccc(-c2cccc(CN3CCN(CCCOCCF)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.605188
14535,COc1ccc(CC(=O)OCCOc2ccc(ON3CCN(C)CC3)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.13165538
14536,COc1ccc(OCCC(C)=O)cc1N1CCC(c2ccccc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18138498
14537,COc1ccc(OCCCC(C)c2ccccc2)cc1NC(=O)C1CCCNC1,[*]CCOc1ccc(O[*])c([*])c1,0.07261615
14538,COc1ccc(OCCNS(C)(=O)=O)cc1N1C(=O)CCc2ccc(CC3CCC3)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.22245198
14539,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(Oc2ccc(CC3CCCCC3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.20235422
14540,COc1cccc(CN2CCN(CCCCNC(=O)c3ccc(-c4ccccc4)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5285958
14541,COc1cccc2c1CN1CCc3cc(O)c(OCc4cccc(C(F)(F)F)c4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64097697
14542,COc1ccccc1-c1cc(C(=O)NCCN2CCN(OS(C)(=O)=O)CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33828712
14543,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccncc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9005439
14544,CS(=O)(O)=Nc1cccc(CCCN2CCN(Cc3cccc(Cl)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6453933
14545,CSOc1ccc(OCCCC2CC(=O)c3ccccc3C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.23310196
14546,CSc1ccc(C2(O)CCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.3273651
14547,Cc1cc(OCCCCCc2ccc3c(c2)NC(=O)CCC3)ccc1ONS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.07542556
14548,Cc1cc(OCCF)ccc1ON1CC=CC1COc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.26005104
14549,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCC4)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.57579947
14550,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(c2ccc(CC3CCCCC3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.11763422
14551,Cc1cc(OCCNC(=O)Cc2ccco2)ccc1O[SH](C)(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.010617436
14552,Cc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1ccc2c(c1)OOC2,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.20369756
14553,Cc1ccccc1N1CCN(CCN2CCC(c3nc4ccccc4n3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5962664
14554,ClC1CCN(CCN2CCN(c3ccccc3-c3ccn[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85231537
14555,Fc1cccc(CN2CCN(CCCC3CCCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7138745
14556,N#Cc1cccc(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8513987
14557,Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7383135
14558,O=C(c1cccc(CN2CCN(CCCCl)CC2)c1)c1cc2ccccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5622709
14559,OCc1cc2c(cc1Cl)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6526366
14560,Oc1cc2c(cc1O)C1Cc3cccc(Cc4cc5ccccc5[nH]4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6777531
14561,CC(=O)NOc1ccc(OCCc2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.029532194
14562,CC(=O)OCCCN1CCN(Cc2cccc(CNC(=O)c3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4230307
14563,CCC(=O)NCc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.33134365
14564,CCCOc1ccc(OC(C)COc2ccccc2)c(NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.030217644
14565,CCCOc1ccc(OC=[SH]O)c(N2CCC(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28176758
14566,CCCOc1ccc(ON(C)C)c(N2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3211392
14567,CCCOc1ccc(ON2CCC(C(=O)c3cc(C)ccc3OC)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.118885584
14568,CCCOc1ccc(ON2CCN(Cc3ccc(F)c(OC)c3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5296797
14569,CCCOc1ccc(ON2CCN(c3ccc(F)cc3)CC2)c(N=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25787756
14570,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(CC(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27147865
14571,CCCOc1ccc(OOC)c(NCCc2cccc(S(C)(=O)=O)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.081427544
14572,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCC(Cc3ccc(OC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29709947
14573,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Oc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30345953
14574,CCN=Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70628285
14575,CCOc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72331494
14576,CCOc1ccccc1N1CCN(CCN2CCC(c3ccccc3-c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7671287
14577,CCOc1ccccc1N1CCN(CCOc2ccc(OS(C)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.62104785
14578,CCOc1ccccc1N1CCN(Cc2cc(OCCOC)ccc2OCF)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8308748
14579,CN(C(=O)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)c1cccc(Br)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48739496
14580,COC1CCN(CCN2CCN(c3ccccc3CNOCC#Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7104996
14581,COC1CCN(CCN2CCN(c3ccccc3Cc3ccc(-n4cccn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7092859
14582,COCCCN1CCN(Cc2cccc(N3c4ccccc4CCS3(=O)=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6953238
14583,COCCOc1ccc(OC)c(CN2CCN(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.77848953
14584,COCCOc1ccc(OCN2CCN(c3ccccc3Cl)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6403052
14585,CON1CCN(CCNC(=O)c2ccc(Cl)c(-c3cccc([N+](=O)[O-])c3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.23818675
14586,COc1cc2c(cc1C=O)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71280396
14587,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(Cc5ccccc5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70382136
14588,COc1cc2c(cc1O)C1Cc3cccc(C#Cc4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77369297
14589,COc1cc2c(cc1O)C1Cc3cccc(C(=O)c4ccc(C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5202289
14590,COc1cc2c(cc1O)C1Cc3cccc(CC4CCCCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64058614
14591,COc1cc2c(cc1O)C1Cc3cccc(Cc4cccc(OCF)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7173438
14592,COc1cc2c(cc1O)C1Cc3cccc(Cc4cccc([N+](=O)OC)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5960075
14593,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc(C(C)C)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6630279
14594,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(Br)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68774706
14595,COc1ccc(CN(C)c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7637264
14596,COc1ccc(NC(=O)c2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3626471
14597,COc1ccc(OCCC(C)Cc2ccc3c(c2)NC(=O)CC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.26505077
14598,COc1ccc(OCCCl)cc1N1CCC(Nc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.34280685
14599,COc1ccc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1[SH](C)(=O)[O-],[*]CCOc1ccc(O[*])c([*])c1,0.5920799
14600,COc1ccc(OCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.9020644
14601,COc1ccc(OCCNCCc2ccc3c(c2)NC(=O)CC3)cc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.24121001
14602,COc1ccc(OCCNCc2ccc(OC3CCNCC3)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.25229853
14603,COc1ccc(OCCS(=O)(=O)N(C)C)cc1N1CCCC(CCc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2865803
14604,COc1ccc(OCCS(C)(=O)=O)cc1CCCc1ccc(C)o1,[*]CCOc1ccc(O[*])c([*])c1,0.07664294
14605,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(CF)C1,[*]CCOc1ccc(O[*])c([*])c1,0.25678033
14606,COc1ccc2c(c1)OC(CNOc1ccc(OCCF)cc1C)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.46178624
14607,COc1cccc(CC2CCCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4154832
14608,COc1cccc(CCCCN2CCN(Cc3cccc(C(=O)N4c5ccccc5CC4C)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7587101
14609,COc1cccc(CN2CCN(CCCC3=CCNC3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.575129
14610,COc1cccc2c1CN1CCc3cc(O)c(C(C)C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74617636
14611,COc1ccccc1CC1CCN(CCOc2ccc(OS(=N)O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.58928704
14612,COc1ccccc1N1CCN(CCN2CCC(CNc3cccc(-c4ccc(O)nc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7694778
14613,COc1ccccc1Nc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4037007
14614,Cc1cc(OCCN2CCN(C)CC2)ccc1OCc1cccs1,[*]CCOc1ccc(O[*])c([*])c1,0.42559692
14615,N#Cc1ccc(CNCc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6658084
14616,O=Nc1cccc2c(-c3cc4c(cc3Cl)C3Cc5cccc(O)c5CN3CC4)cccc12,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61630726
14617,O=c1sc2ccccc2n1-c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.73362726
14618,Oc1cc2c(cc1Oc1ccccc1)CCN1Cc3c(Cc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7310289
14619,c1ccc(CCCN2CCN(Cc3cccc(-c4ccc5c(c4)OCO5)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57581115
14620,CC1CCN(CCN2CCN(c3ccccc3-c3ncc(-c4ccccc4)n3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6821119
14621,CC1c2ccccc2S(=O)(=O)N1c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6371655
14622,CCCCN1CCN(Cc2cccc(S(=O)c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.45001838
14623,CCCOc1ccc(OC)c(N2CCC(NS(=O)(=O)c3ccc(C(C)C)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21366613
14624,CCCOc1ccc(OCS(N)(=O)=O)c(OC2CCCc3ccc(CCC4CCCC(=O)N4)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3234686
14625,CCCOc1ccc(ON)c(N2CCN(C(C)c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2979605
14626,CCCOc1ccc(ON2CCC(c3ccccc3OCC)CC2)c(NS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37995765
14627,CCCOc1ccc(ONS(C)(=O)=O)c(NCCc2ccc(C(F)(F)F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05670241
14628,CCCOc1ccc(OS(=O)(=O)O)c(NCc2ccc(Cl)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0543314
14629,CCCOc1ccc(OS(C)(=O)=O)c(-c2ccc(NC(C)=O)c(OC(C)C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.016420716
14630,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3ccc(CCF)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31884387
14631,CCOOc1ccc(OCCN2CC=C(c3ccccc3OC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.46386707
14632,CCOc1cccc(C(=O)NCCOc2ccc(OC)c(S(N)(=O)=O)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.033209153
14633,COC1CCN(CCN2CCN(c3ccccc3C(F)(F)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8596177
14634,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3ccc4cc(O)ccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71292865
14635,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3cccc(C#Cc4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80780876
14636,COCCCN1CCN(Cc2cccc(-c3cccc(-c4ccccn4)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55414104
14637,COCCCN1CCN(Cc2cccc(-c3cccc4nc(O)oc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49885938
14638,COCCOc1ccc(OC)c(CCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.104853965
14639,COCCOc1ccc(OC)c(CNCC2CCc3cc(OC)c(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40819144
14640,COCCOc1ccc(OC)c(N2CCC(c3ccccn3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3654473
14641,CON1CCN(CCNC(=O)c2ccc(N(C)C)c(-c3ccccc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3959477
14642,COOc1ccc(OCCNCCc2cccc3c2C(=O)CC(=O)N3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.13822117
14643,COc1cc2c(cc1Cc1cccc(NC(C)=O)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38379934
14644,COc1cc2c(cc1O)C1Cc3cccc(CC4CCCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7059995
14645,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(OCc5ccccc5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67724293
14646,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccc(SC)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68442285
14647,COc1cc2c(cc1O)CCN1Cc3c(CC4CCCC4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6922195
14648,COc1cc2c(cc1O)CCN1Cc3c(cccc3-n3cccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7783749
14649,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccccc4C#N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6930022
14650,COc1cc2c(cc1OC)C1Cc3cccc(C(C)(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8379969
14651,COc1cc2c(cc1[N+]Cc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7415405
14652,COc1ccc(COC(=O)c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50444525
14653,COc1ccc(OCCCCOc2ccccc2C(C)C)cc1NC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.043736316
14654,COc1ccc(OCCCS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1N1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.2677258
14655,COc1ccc(OCCN2CCC(C)(Cc3ccc(F)cc3)C2=O)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.19810608
14656,COc1ccc(OCCN2CCCC(CCc3ccc(F)cc3)C2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.41810566
14657,COc1ccc(OCCN=S(C)(=O)O)cc1CCCc1ccc2c(c1)NC(=O)CCC2,[*]CCOc1ccc(O[*])c([*])c1,0.23313135
14658,COc1ccc(OCCNS(C)(=O)=O)cc1NC1CCC1Cc1ccc(OC2CCCCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.12664938
14659,COc1ccc(OCCOC(=O)CCc2ccc3c(c2)NC(=O)CC3)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10960316
14660,COc1ccc(OCCS(C)(=O)=O)cc1CCc1ccccc1OC1CCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.2303998
14661,COc1ccc(OCCc2cccc(OCC(F)(F)F)c2)cc1CN1CCC(S(=O)(=O)O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.43109575
14662,COc1cccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2C)c1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.1986192
14663,COc1cccc(-c2ccc(C(=O)NCCN3CCN(C)CC3)cc2OC)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2674832
14664,COc1cccc(C(=O)C2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87114257
14665,COc1cccc2c1CN1CCc3cc(NCc4ccc(C#N)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41948602
14666,COc1ccccc1N1CCN(CCN2CCC(Nc3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8252408
14667,COc1ccccc1N1CCN(CCN2CCC(c3ncc(C)n3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70800775
14668,COc1ccccc1N1CCN(CCc2cc(OCCc3ccc(F)cc3)ccc2OOC(C)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8216028
14669,CS(=O)(O)=Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5589291
14670,CSc1ccccc1OCOc1ccc(OCCc2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.14200155
14671,FCCOC1CCN(CCN2CCN(c3ccccc3Oc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8875203
14672,O=C(NCc1cccc(CN2CCN(CCCF)CC2)c1)C1CCCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53306174
14673,Oc1c2ccccc2cn1Cc1cccc(CN2CCN(CCCOC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6680051
14674,Oc1cc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)ccn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70317835
14675,Oc1cc2c(cc1-c1ccc(C(F)(F)F)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76025414
14676,Oc1cc2c(cc1OCc1ccc(Cl)cc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.644396
14677,C#Cc1cc2c(cc1Cc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6022102
14678,CC(=O)NC1CCN(CCOc2ccc(ONS(C)(=O)=O)c(C)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.43290827
14679,CC(=O)NCCOc1ccc(ONCC2Cc3ccccc3CC2C)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17114785
14680,CC(=O)Oc1cc2c(cc1O)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59133875
14681,CC=S(=O)(O)Nc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5298455
14682,CCCOc1ccc(OC)c(CC(=O)c2ccc(NS(C)(=O)=O)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.025052903
14683,CCCOc1ccc(OC)c(N2CCN(C(=O)c3cccc(C(=O)NC)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07180142
14684,CCCOc1ccc(OCl)c(NC(=O)COc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.008275159
14685,CCCOc1ccc(ON2CCC(c3ccccc3OCC)CC2)c(OC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21548864
14686,CCCOc1ccc(ON2CCN(c3cccc(CC(F)(F)F)c3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38175684
14687,CCCOc1ccc(OOC)c(-c2ccc(C(C=O)N3CCCCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17588864
14688,CCCOc1ccc(OOC)c(N2CCCC(c3ccc(Cl)cc3)N(F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31027517
14689,CCCOc1ccc(OOC)c(N2CCN(CC(=O)c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.45963234
14690,CCCOc1ccc(OOC)c(N2CCN(c3ccccc3F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35361654
14691,CCCOc1ccc(OSC)c(NC(=O)Cc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0069633536
14692,CCCc1ccc(S(=O)(=O)NCCOc2ccc(OC)c(S(C)(=O)=O)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06349749
14693,CCOc1ccccc1C(=O)NCc1cc(OCCF)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.032888122
14694,COC1CCN(CCN2CCN(c3ccccc3CNS(=O)(=O)c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65319115
14695,COc1cc(C(=O)NCCOc2ccc(OCN3CCN(c4ccccc4OC)CC3)c(C)c2)ccc1F,[*]CCOc1ccc(O[*])c([*])c1,0.582339
14696,COc1cc2c(cc1O)C1Cc3cccc(C(=O)OCc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56644934
14697,COc1cc2c(cc1O)C1Cc3cccc(C4CCC(C#N)C4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76548594
14698,COc1cc2c(cc1O)C1Cc3cccc(Cc4cccc(C(F)(F)F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73836064
14699,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc5cc[nH]c5c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66872513
14700,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)NCc3ccc(COC(C)=O)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43243095
14701,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccn(C)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6841289
14702,COc1cc2c(cc1OCc1ccc(C#N)cc1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6146083
14703,COc1cc2ccccc2cc1Cc1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55328685
14704,COc1ccc(CNC2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8922129
14705,COc1ccc(COc2cc3c(cc2OC)C2Cc4cccc(-c5ccccc5)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6464711
14706,COc1ccc(OCCC(=O)COc2ccc(F)cc2)cc1OCC(=O)N1CCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.09453405
14707,COc1ccc(OCCCSc2ccccc2C(C)C)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.09340287
14708,COc1ccc(OCCN(C)C)cc1NC(=O)COc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.017469257
14709,COc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1CN1CCN(C(C)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.06860261
14710,COc1ccc(OCCNCCc2ccc(F)cc2)cc1COc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.2761791
14711,COc1ccc(OCCNS(C)(=O)=O)cc1NCCC1CCc2ccccc2C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.2691764
14712,COc1ccc(OCCS(C)(=O)=O)cc1-c1c(CC2CCCCC2)ccc2c1CCC(=O)C2,[*]CCOc1ccc(O[*])c([*])c1,0.28848743
14713,COc1ccc(OCC[SH](C)C)cc1NC(=O)COc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.04655112
14714,COc1cccc(CC2CCCN(CCOc3ccc(OC)c(S(C)(=O)=O)c3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4289028
14715,COc1cccc(CN2CCN(CCCC3=CC(=O)CO3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5965783
14716,COc1ccccc1N1CCN(CCN2CCC(c3ccc(C(=O)N(C)C)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80244714
14717,CSOc1ccc(OCCN2CCC(Oc3ccc(NC(C)=O)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.26330593
14718,Cc1cc(OCCC(=O)COc2ccc(C(C)C)cc2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.013567414
14719,Cc1cc(OCCCS(=O)(=O)c2cccc(F)c2)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.1017401
14720,Cc1cc(OCCF)ccc1ONS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.03639732
14721,Cc1cc(OCCN2CCNC2=O)ccc1ONS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.10886829
14722,Cc1cc(OCCN=S(C)(=O)O)ccc1ONC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.2808912
14723,Cc1cc(OCCN=S(C)(=O)O)ccc1OSCCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.19223961
14724,Cc1cc(OCCNC(=O)Cc2ccc(F)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.022242935
14725,Cc1cc(OCCNS(=O)(=O)c2ccc(F)cc2)ccc1OS(=O)(=O)C1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.09911544
14726,Cc1cc(OCCNS(=O)(=O)c2ccccc2F)ccc1ON1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.1575877
14727,Cc1cc(OCCS(C)(=O)=O)ccc1OC1CCN(CCc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6225595
14728,Cc1cccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2Cl)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27936384
14729,Fc1cccc(CN2CCN(CCCCc3cc(-c4ccccc4)no3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7222584
14730,NCCc1cc2c(Cc3cccc4c3CN3CCc5cc(O)c(O)cc5C3C4)cccc2[nH]1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6826747
14731,O=C(NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)c1cnc2ccccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80415034
14732,O=C(Oc1ccccc1)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5217795
14733,O=C(c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2)[N+](=O)c1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4874912
14734,O=c1oc(-c2ccccc2)ccc1-c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63032186
14735,CCCNC(=O)Nc1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3970376
14736,CCCNOc1ccc(OCCS(C)(=O)=O)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.051849168
14737,CCCOc1ccc(OCCOc2ccc(F)cc2)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.83324134
14738,CCCOc1ccc(ON)c(C(O)COc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24692056
14739,CCCOc1ccc(ON2CCN(c3ccccc3OC)CC2)c(OCC=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36376932
14740,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(Cc3ccc4c(c3)CC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33159852
14741,CCCOc1ccc(ON=S(C)(=O)O)c(NCC2CCc3cc(OC)c(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33824384
14742,CCCOc1ccc(ONC(C)=O)c(CN2CCC(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.45376027
14743,CCCOc1ccc(ONC=O)c(N2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34968337
14744,CCCOc1ccc(ONS(C)(=O)=O)c(CN2CCC(Oc3ccc(CC(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35248923
14745,CCCOc1ccc(OOC)c(N2CCN(c3ccc(Cl)cc3)CC2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37635487
14746,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Oc3ccc(CCC(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.239452
14747,CCCOc1ccc(OS(C)(=O)=O)c(NC2CCC(Oc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19287966
14748,CCOc1ccc(CNc2cc(OCCS(C)(=O)=O)ccc2OC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.053633757
14749,CCOc1ccccc1-c1cc(C(=O)NCCN2CCN(O)CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2567512
14750,CCOc1ccccc1S(=O)(=O)C1CCN(Oc2ccc(OCCNS(C)(=O)=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24707066
14751,CCc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8239901
14752,CN(Cc1cccc(CN2CCN(CCCF)CC2)c1)S(=O)(=O)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46598786
14753,COC(=O)Nc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38256297
14754,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccc(-c4ccccc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7033753
14755,COCC1CCCN(CCOc2ccc(OC)c(S(C)(=O)=O)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.4083764
14756,COCCCN1CCN(Cc2cccc(CC(=O)NCc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.30762082
14757,COc1cc2c(cc1Br)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7568425
14758,COc1cc2c(cc1C1CCCCC1)CCN1Cc3c(cccc3OCc3cccc(O)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47714403
14759,COc1cc2c(cc1O)C1Cc3cccc(C(=O)Nc4ccccc4C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3369682
14760,COc1cc2c(cc1O)C1Cc3cccc([N+]([O-])(F)c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7016323
14761,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(NCc4ccccc4)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46257302
14762,COc1cc2c(cc1O)CCN1Cc3c(cccc3NC(=O)c3ccc(C)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.26147965
14763,COc1ccc(OCCC(=O)COc2ccc(C)cc2)cc1CN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.15979588
14764,COc1ccc(OCCOCC(C)C)cc1CN1CCC(NS(=O)(=O)c2ccc(Cl)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.50496995
14765,COc1ccc(OCCS(C)(=O)=O)cc1CCSc1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.04667852
14766,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(COc2ccc(C(F)(F)F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2902512
14767,COc1ccc(OCCS(C)(=O)=O)cc1NC1CCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.1325255
14768,COc1ccc(OCCS(C)(=O)=O)cc1Oc1ccccc1CCF,[*]CCOc1ccc(O[*])c([*])c1,0.1680241
14769,COc1ccc(OCc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6528412
14770,COc1cccc(-c2cc(C(=O)NCCN3CCN(Cl)CC3)ccc2F)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31776837
14771,COc1cccc(CN(C)c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6656797
14772,COc1cccc(CNC(=O)c2cc3c(cc2OC)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38172215
14773,COc1cccc2c1CN1CCc3cc(-c4c[nH]c5ccccc45)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6900837
14774,COc1cccc2c1CN1CCc3cc(-c4cccc([N+](=O)[O-])c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42350325
14775,COc1ccccc1N1CCN(CCN2CCC(c3ccc(Br)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.89129317
14776,COc1ccccc1N1CCN(CCN2CCC(c3cccc4ccc(O)nc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81338906
14777,CS(=O)(O)=Nc1ccccc1-c1cc2c(cc1Cl)C1Cc3cccc(N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48531446
14778,Cc1cc(OCCN2CCC(NS(=O)(=O)c3cc(Cl)ccc3F)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6070198
14779,Cc1cc(OCCNCc2ccccc2)ccc1OCN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.28897223
14780,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(c2ccc(CCc3ccccc3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27311906
14781,Cc1cc(OCCOS(C)(=O)=O)ccc1OCCOc1ccc(C2CCNCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.15522972
14782,Cc1cc(OCCc2ccc(F)cc2)ccc1OCN1CCN(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.512743
14783,ClCCCN1CCN(Cc2cccc(C3CCC3c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72835183
14784,FC(F)(F)c1ccccc1N1CCN(CCN2CCC(c3ncc(-c4ccccc4)o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75266016
14785,Fc1ccc(CCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7105078
14786,O=C(O)C1CCCCN1c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39614007
14787,O=C(c1cccc(CN2CCN(CCCF)CC2)c1)N1Cc2ccccc2C1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6659348
14788,O=C(c1cccs1)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52761877
14789,O=S(=O)(Nc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2)C(F)(F)F,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52375466
14790,O=c1oc2ccccc2c(=O)n1CCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64210683
14791,OCc1cc2c(cc1O)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70248157
14792,CC(=O)Cc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.590388
14793,CCC(=O)c1cc2c(cc1O)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43481934
14794,CCCOc1ccc(OC(=O)COc2ccccc2C)c(NC=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.039522357
14795,CCCOc1ccc(OC(N)=O)c(NCC2Cc3ccccc3CO2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1500294
14796,CCCOc1ccc(OCN2CCN(c3ccccc3OC)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.80430573
14797,CCCOc1ccc(OCNc2ccccc2OCC)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08877725
14798,CCCOc1ccc(OF)c(CN2CCN(CCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5203762
14799,CCCOc1ccc(OF)c(CN2CCN(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.75225633
14800,CCCOc1ccc(ON2CCC(c3ccccc3)CC2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3138502
14801,CCCOc1ccc(ON2CCCC(CC(=O)c3ccc(F)cc3)C2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21730293
14802,CCCOc1ccc(ON2CCN(CCc3ccccc3OC)CC2)c(NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5014227
14803,CCCOc1ccc(ONS(C)(=O)=O)c(C(C)COc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06535013
14804,CCCOc1ccc(OOC)c(CN2CCN(c3ccccc3OCC)C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27038923
14805,CCCOc1ccc(OS(C)(=O)=O)c(C(CCc2ccc3c(c2)NCC(=O)CC3)OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24005912
14806,CCCOc1ccc(OS(C)(=O)=O)c(C2CCC(Cc3ccc(OC4CNC(=O)C4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1906998
14807,CCCOc1ccc(OS(N)(=O)=O)c(CCOc2ccccc2C(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14438109
14808,CCCOc1ccc(OSC)c(NC(=O)COc2ccc(C(F)(F)F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.007798741
14809,CCCc1ccccc1N1CCN(CCN2CCC(c3cnc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.806953
14810,CCNC(=O)Oc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48141164
14811,CN(C)C(=O)c1cccc(-c2cc3c(cc2F)CCN2Cc4c(O)cccc4CC32)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4891812
14812,COCCOc1ccc(OC)c(C2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35098276
14813,COCCOc1ccc(OC)c(CCC2Cc3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34875423
14814,COCCOc1ccc(OC)c(CN2CCN(C(F)c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4026779
14815,CON1CCN(CCNC(=O)c2ccc(OC(C)=O)c(-c3cccc(C)c3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.22239907
14816,CONCc1cc2c(cc1OC)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46297127
14817,COOc1ccc(OCCN2CCN(c3ccccc3OC)CC2)cc1CCF,[*]CCOc1ccc(O[*])c([*])c1,0.8918008
14818,COOc1ccc(OCCN2c3ccccc3CC2C)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.34796095
14819,COc1cc(C(=O)NCCN2CCN(O)CC2)ccc1-c1ccc2ccccc2c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3285354
14820,COc1cc2c(cc1-c1ccc3ccccc3c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71227086
14821,COc1cc2c(cc1O)C1Cc3cccc(CCCNC(C)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55472046
14822,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc[nH]4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7567245
14823,COc1cc2c(cc1O)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8773396
14824,COc1cc2c(cc1OCC#N)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7882797
14825,COc1ccc(N2CCN(COc3ccc(OCCc4ccc(F)cc4)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.50120443
14826,COc1ccc(OCCC2(F)CCC(NCc3csc4ccccc34)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.14501856
14827,COc1ccc(OCCC2CCN(C(=O)Cc3ccccc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.12016365
14828,COc1ccc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5611885
14829,COc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.01782378
14830,COc1ccc(OCCNC(=O)c2cccc(C#N)c2)cc1N1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.41614145
14831,COc1ccc(OCCOC2CCNCC2)cc1NS(=O)(=O)c1cccc(Cl)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1749035
14832,COc1ccc(OCCS(C)(=O)=O)cc1C1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.20341074
14833,COc1ccc(OCCS(N)(=O)=O)cc1CCOc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.08383798
14834,COc1ccc2c(c1)C=C(C)CCN2CCCOc1ccc(OC)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35782552
14835,COc1cccc(Oc2cccc(-c3cc4c(cc3OC)C3Cc5cccc(OC)c5CN3CC4)c2)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6374337
14836,COc1cccc2c1CN1CCc3cc(-c4cccs4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7473915
14837,COc1ccccc1N1CCN(CCN2CCC(Cc3ccc4c(c3)OCC(=O)N4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.740755
14838,COc1ccccc1N1CCN(CCN2CCC(c3ccc(O)c(O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75432456
14839,COc1ccccc1N1CCN(CCN2CCC(n3cc4cccc(OC)c4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7840401
14840,CSc1ccc(C(=O)CCCOc2ccc(ON3CCNCC3)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.12685762
14841,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)C(=O)C4)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6490182
14842,Cc1cc(OCCNC(=O)COc2ccc3c(c2)CCCC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.05207731
14843,Cc1cc(OCCNCC2CCc3ccccc3C2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2367567
14844,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(c2ccc(OC3CCC(=O)NC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2546458
14845,Clc1cccc(CN2CCN(CCCCNCc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.71612257
14846,FC(F)(F)OCCCN1CCN(Cc2cccc(-c3ccc4ccccc4n3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6810653
14847,Fc1cccc(CN2CCN(CCCCCc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7632544
14848,Fc1cccc(CN2CCN(CCCCc3ccc4cccc-4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61851865
14849,O=C1Cc2ccccc2C(CCCN2CCN(Cc3cccc(Cl)c3)CC2)N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72663707
14850,O=c1n(-c2ccccc2)ccn1-c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6671423
14851,C=CC1Cc2ccccc2N1C(=O)c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.700663
14852,C=CCN1CCC(CCOc2ccc(OC)c(F)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.51576483
14853,CC(=O)OC(=O)c1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4373522
14854,CC(C)Oc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82944113
14855,CC(C)c1ccc(S(=O)(=O)NOc2ccc(OCCF)cc2CN2CCC3(CC2)CC(=O)CN3C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.30684787
14856,CC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccc(F)cn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7245042
14857,CCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6004861
14858,CCCOc1ccc(OC(N)=O)c(N2CCCC(Cc3ccc4c(c3)NC(=O)CC4)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21116534
14859,CCCOc1ccc(OC=O)c(CN2CCC(F)(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.49185255
14860,CCOCCCN1CCN(Cc2cccc(-c3cccc(-c4ccccc4)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60602283
14861,CCOc1ccc(CN2CCN(CCOc3ccc(OOC)c(C)c3)CC2)o1,[*]CCOc1ccc(O[*])c([*])c1,0.38927907
14862,CCc1cccc2c1CN1CCc3cc(O)c(-c4cccc(C)c4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6469482
14863,CNOc1ccc(OCCNC(=O)COc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.016336294
14864,COC(=O)C1(CCCN2CCN(Cc3cccc(Cl)c3)CC2)CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4280062
14865,COC(=O)C1Cc2ccccc2C(=O)N1c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5709575
14866,COC(=O)C1c2ccccc2CN1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5823388
14867,COC(=O)c1cc(-c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c2ccccc2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4184538
14868,COC(=O)c1cc(OCCN2CCN(Cc3ccco3)CC2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.24802753
14869,COC1CCN(CCN2CCN(c3ccccc3NCc3cnc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.48250312
14870,COCCCN1CCN(Cc2cccc(C(=NOC)c3ccc(Cl)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5582066
14871,COCCCN1CCN(Cc2cccc(CNC(=O)C3CCCCC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4330745
14872,CONCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65966356
14873,COc1cc2c(cc1Cc1ccc(C#N)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75987965
14874,COc1cc2c(cc1O)CCN1Cc3c(cccc3N3CCCC3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56608474
14875,COc1ccc(-c2cc3c(cc2C)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.684736
14876,COc1ccc(C(=O)NCCN2CCN(C(C)=O)CC2)cc1-c1cccc(C)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.14587638
14877,COc1ccc(CC(=O)Nc2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.3630077
14878,COc1ccc(CNC(=O)Oc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38227102
14879,COc1ccc(OCCCN2c3ccccc3CC2C=O)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.27779526
14880,COc1ccc(OCCF)cc1N1CCC(C(=O)NS(=O)(=O)c2ccc(Cl)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.10936716
14881,COc1ccc(OCCN2CCC(c3noc4cc(F)ccc34)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.7646029
14882,COc1ccc(OCCN=S(C)(=O)O)cc1C1Cc2ccccc2NC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.22813176
14883,COc1ccc(OCCN=S(C)(=O)O)cc1NC1CCc2ccc(OCC(F)(F)F)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.36770296
14884,COc1cccc(CN2CCN(CCCCOc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7305824
14885,COc1cccc(NC(=O)c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.37364143
14886,COc1cccc2c1CN1CCc3cc(C(=O)c4cccc(C#N)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5186058
14887,COc1cccc2c1CN1CCc3cc(C)c(Oc4ccc(C#N)cc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72441894
14888,COc1ccccc1N1CCN(CCN2CCC(c3cccc(NC(=O)Cc4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6312931
14889,COc1ccccc1N1CCN(CCN2CCC(n3c(O)ccc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70372313
14890,Cc1cc(O)n(-c2ccccc2N2CCN(CCN3CCC(C)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6273963
14891,Cc1cc(OCCCS(N)(=O)=O)ccc1ON1CCC(Oc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29783833
14892,Cc1cc(OCCN2CCC(Cc3ccccc3F)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6001747
14893,Cc1cc(OCCN2CCC(Oc3ccc4c(c3)NC(=O)CCC4)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.63773793
14894,Cc1cc(OCCN2CCC(c3ccc(OCCF)cc3)CC2)ccc1ON=S(=O)(O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5561661
14895,Cc1cc(OCCNCCc2ccc(F)cc2)ccc1ON=S(=O)(O)O,[*]CCOc1ccc(O[*])c([*])c1,0.12033895
14896,Cc1cc(OCCNCc2cccnc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13047342
14897,Cc1cc(OCCNc2ccc(OCC(F)(F)F)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.05160129
14898,Cc1ccc(-c2ccccc2N2CCN(CCN3CCC(C)CC3)CC2)nc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64112353
14899,Cc1ccccc1N1CCN(CCN2CCC(c3ccc4c(c3)NC(=O)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7274541
14900,O=S(=O)(CCCN1CCN(Cc2cccc(Cl)c2)CC1)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61829776
14901,O=[N+]([O-])c1ccc(Cc2cccc3c2CN2CCc4cc(O)c(CO)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4413795
14902,O=c1c(F)cn(C2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)c2ccccc12,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7040369
14903,OC1CCN(CCN2CCN(c3ccccc3-c3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72862697
14904,Oc1cccc2c1CN1CCc3cc(-c4ccc(C(F)(F)F)cc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7148987
14905,CC1CCN(Cc2cc(OCCNS(C)(=O)=O)ccc2ON=S(C)(=O)O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2698854
14906,CCCCN1CCN(Cc2cccc(N3c4ccccc4CS3(=O)=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6516502
14907,CCCOc1ccc(OCCNC(=O)c2ccccc2OC)c(C(=O)OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.029354226
14908,CCCOc1ccc(ON2CCCC(c3ccccc3OC)C2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36532694
14909,CCCOc1ccc(OOCC)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7450356
14910,CCCOc1ccc(OS(C)(=O)=O)c(CN2CCC(c3cc(C)on3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.47739017
14911,CCCOc1ccc(OS(C)(=O)=O)c(NC2CC(O)CCN2CCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27620897
14912,CCCSc1ccccc1OCCc1cc(OCCOC)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.14873296
14913,CCOCCCN1CCN(Cc2cccc(-c3cc(-c4ccccc4)co3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5269124
14914,CCOc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(-n4ccnc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74792933
14915,CCOc1ccccc1N1CCN(CCN2CCC(NCc3cc4ccccc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.749443
14916,CCOc1ccccc1N1CCN(CCN2CCC(c3ccc(O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8136575
14917,CCOc1ccccc1NCc1cc(OCCC(=O)OC)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.013058153
14918,CCS(=O)(=O)c1cc(OCCNCc2ccccc2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.30775544
14919,CCc1ccc(CS(=O)(=O)CCOc2ccc(OC)c(C(=O)NC)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.02780306
14920,CNOc1ccc(OCCNC(=O)COc2ccc3c(c2)CC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.041996166
14921,COC(=O)N1CCN(CCNC(=O)c2ccc(C)c(-c3cccc(Cl)c3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.15025754
14922,COC1CCN(CCN2CCN(c3ccccc3CCc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8008606
14923,COCCCN1CCN(Cc2cccc(Cn3ccc(C)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56368375
14924,COCCOc1ccc(OC)c(CN2CCC(F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.49850908
14925,COCCOc1ccc(OCN2CCCN(c3ccccc3OC)C2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3244333
14926,COc1cc2c(cc1-c1ccc(F)cc1F)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7169494
14927,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(N(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7703588
14928,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cc[nH]n3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6523449
14929,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3ccc4ccc(C#N)cc4c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5942614
14930,COc1cc2c(cc1OC)C1Cc3cccc(CO[O-])c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7362776
14931,COc1ccc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c2ccccc12,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78867716
14932,COc1ccc(NC2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81832117
14933,COc1ccc(OCCCCC2CCc3ccccc3C2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.46197918
14934,COc1ccc(OCCCN)cc1N1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.42068452
14935,COc1ccc(OCCN2CCCC2)cc1S(=O)(=O)Nc1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.29521438
14936,COc1ccc(OCCN=S(C)(=O)O)cc1C(=O)N1CC(C)Cc2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.17967829
14937,COc1ccc(OCCN=S(C)(=O)O)cc1NCCc1cccc2ccoc12,[*]CCOc1ccc(O[*])c([*])c1,0.057997078
14938,COc1ccc(OCCNC(=O)c2ccc(CCN)s2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.04432744
14939,COc1ccc(OCCNS(C)(=O)=O)cc1C1CCCC(CCc2ccc3c(c2)NC(=O)CC(=O)N3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.12813653
14940,COc1ccc(OCCS(C)(=O)=O)cc1CCN1CCC(Oc2ccc(C(C)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.47811288
14941,COc1ccc(OCCS(C)(=O)=O)cc1CCOc1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06608025
14942,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCCC1Cc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.28139904
14943,COc1cccc2c1CN1CCc3cc(-c4ccc(C(F)(F)F)c(F)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70515823
14944,COc1cccc2c1CN1CCc3cc(C#Cc4ccccc4)c(C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6576905
14945,COc1cccc2c1CN1CCc3cc(Cc4ccc(Oc5ccccc5)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60616153
14946,COc1cccc2c1CN1CCc3cc(Cc4ccc(S(C)(=O)=O)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50171953
14947,COc1cccc2c1CN1CCc3cc(OCc4ccccc4)c(C(F)(F)F)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69569474
14948,COc1ccccc1-c1csc(-c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6679064
14949,COc1ccccc1N1CCN(CCN2CCC(c3cccnc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81298774
14950,Cc1cc(OCCN2CCC(Cc3ccc(OC4CCCC4)cc3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.5393407
14951,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC(=O)C4)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.631038
14952,Cc1cc(OCCN2CCC(Cc3ccc4ccccc4c3)C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.440085
14953,Cc1cc(OCCN2CCN(Cc3ccco3)CC2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.38928115
14954,Cc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3cccc(C#N)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7281826
14955,ClCCCN1CCN(Cc2cccc(NC3CCCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5778998
14956,Fc1cnc(C2CCN(CCN3CCN(c4ccccc4OC(F)(F)F)CC3)CC2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7948457
14957,O=C(c1ccc(CO)cc1)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4982654
14958,OCCCN1CCN(Cc2cccc(-c3ccc4sccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65941805
14959,OCCN=Cc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60860586
14960,Oc1cccc2c1CN1CCc3cc(-c4ccc(COc5ccccc5)cc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66788685
14961,Oc1ncccc1C1CCN(CCN2CCN(c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.62449837
14962,CC(C)Oc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77447563
14963,CCCOc1ccc(OF)c(N2CCN(CC(=O)N3c4ccccc4CC3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.43531314
14964,CCCOc1ccc(ON)c(CCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15333049
14965,CCCOc1ccc(ON2CCCCC2)c(-c2ccc(S(C)(=O)=O)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.084013335
14966,CCCOc1ccc(ONC(=O)Cc2ccccc2)c(CCN(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.02109268
14967,CCCOc1ccc(OOS(C)(=O)=O)c(C(O)CCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07624133
14968,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3ccc(OC4CCCCC4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24505877
14969,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(S(=O)Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26660293
14970,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(Oc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2511767
14971,CCCOc1ccc(O[N+](=O)[O-])c(NCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.047784075
14972,CCN(C)C(=O)c1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5069956
14973,CCON=Cc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.733557
14974,CCc1cc2c(cc1-c1ccc(OC)cc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6664501
14975,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(C(=O)F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7554143
14976,COC1CCN(CCN2CCN(c3ccccc3-n3c(O)nc4ccc(Cl)cc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7020287
14977,COCCOc1ccc(OCOc2ccccc2)c(CN2CCN(c3ccccc3C(C)C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.68595374
14978,COOc1ccc(OCCNS(=O)(=O)c2ccc(C(C)C)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.045308948
14979,COc1cc2c(cc1-c1ccc3ccccc3c1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72011
14980,COc1cc2c(cc1C1CC1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7848568
14981,COc1cc2c(cc1O)CCN1Cc3c(COCc4ccc([N+](=O)[O-])cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5798083
14982,COc1cc2c(cc1OC)C1Cc3cccc(Nc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44538608
14983,COc1cc2c(cc1OC)C1Cc3cccc(OCc4ccc(O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6963259
14984,COc1ccc(C(=O)c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)c(OC)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72505057
14985,COc1ccc(CC2CCCN(CCOc3ccc(OSC)c(C)c3)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.46335799
14986,COc1ccc(CC2CCCN(c3cc(OCCOS(C)(=O)=O)ccc3OC)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.20990442
14987,COc1ccc(COc2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.668514
14988,COc1ccc(COc2cccc3c2CN2CCc4cc(Cl)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6682447
14989,COc1ccc(OCCCN2CCN(C(C)=O)c3ccccc3C2)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.45990416
14990,COc1ccc(OCCN)cc1N1CCN(c2cccc(C(F)(F)F)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.411335
14991,COc1ccc(OCCN2CCC(C(=O)c3ccccc3C(C)=O)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.45306882
14992,COc1ccc(OCCN2CCC(Cc3ccc(OC4CCC(=O)NC4)cc3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5729231
14993,COc1ccc(OCCN2CCC(c3ccc(OC4CCCC(=O)N4)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.56196165
14994,COc1ccc(OCCN2CCCC(c3ccccc3)C2)cc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.62347656
14995,COc1ccc(OCCN2CCN(Cc3ccccc3)CC2)cc1C=[SH](=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.48386544
14996,COc1ccc(OCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.77476877
14997,COc1ccc(OCCN2CCN(c3cccc(CC(F)(F)F)c3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.8409145
14998,COc1ccc(OCCNCc2ccc(OC3CCCCC3)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.18418373
14999,COc1ccc(OCCS(C)(=O)=O)cc1OC1CCCCC1NCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.14112209
15000,COc1cccc(COc2cc3c(cc2OC)C2Cc4cccc(C#Cc5ccccc5)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7173336
15001,COc1ccccc1NC(=O)c1cc(OCCCCc2ccc(F)cc2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.016214795
15002,CSOc1ccc(OCCN2CCC(=O)C(c3ccccc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.40157288
15003,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)CCC(=O)NC4)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6544069
15004,Cc1cc(OCCN2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6725171
15005,Cc1cc(OCCN=S(C)(C)=O)ccc1OCCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.2050797
15006,Cc1cc(OCCNCCc2ccc3c(c2)SC(=O)CC3)ccc1ONS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.14574018
15007,Cc1cc(OCCNCc2cccs2)ccc1OS(=O)(=O)N(C)O,[*]CCOc1ccc(O[*])c([*])c1,0.08391335
15008,Cc1cccc(-c2cc(C(=O)NCCN3CCN(Cl)CC3)ccc2Br)c1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.25268608
15009,Cc1ccccc1N1CCN(CCN2CCC(c3cc4ccccc4n3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6605086
15010,ClCCCN1CCN(Cc2cccc(-c3ccc4c(c3)CCc3ccc(cc3)CC4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.77138686
15011,ClCCCN1CCN(Cc2cccc(CNc3ccc4ccccc4n3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57541966
15012,Cn1ccc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77232593
15013,Fc1cnc(CC2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)nc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80651295
15014,O=C(NCc1cccc(CN2CCN(CCCOCc3ccccc3)CC2)c1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5079047
15015,O=C(Nc1cccc(CN2CCN(CCCO)CC2)c1)c1ccccn1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.33234423
15016,O=S(=O)(NCc1cccc(CN2CCN(CCCF)CC2)c1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51518464
15017,C=CCOc1cc(OCCC)ccc1OCCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.108680025
15018,CC(O)CNC(=O)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5217838
15019,CC1CCN(CCN2CCN(c3ccccc3NC(=O)c3cc4ccccc4s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.3883832
15020,CC1c2ccccc2CN1C(=O)CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6576891
15021,CCCCCOc1ccc(OOC)c(CN2CCCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.68436635
15022,CCCCc1ccc2cc(S(=O)(=O)NCCOc3ccc(OSC)c(C)c3)ccc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.06227167
15023,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(c3ccc(OC(C)C)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30239403
15024,CCCOc1ccc(OOC)c(C(C)N2CCN(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.48748747
15025,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(Cc3ccc(C)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.113066494
15026,CCN(C(=O)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2)c1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44336653
15027,CCOc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc4ccnn4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6726524
15028,CN(Cc1cccc(CN2CCN(CCCCl)CC2)c1)C(=O)C1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51095223
15029,COC(=O)C1CCN(CCN2CCN(c3ccccc3-n3c(O)nc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.587449
15030,COC1CCN(CCN2CCN(c3ccccc3-n3cc(C)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6786004
15031,COCCCN1CCN(Cc2cccc(-c3c(O)c4ccccc4n3C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5960029
15032,COCCCN1CCN(Cc2cccc(C3CCc4ccccc4C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65542394
15033,COCCCN1CCN(Cc2cccc(CNC(=O)N3c4ccccc4CC3C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6388425
15034,COCCOc1ccc(ON2CCC(Nc3ccncc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21903262
15035,COCc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6770062
15036,COOc1ccc(OCCN2CCC(Oc3ccc4ccc(F)cc4c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.532967
15037,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1Cc1ccccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3018455
15038,COc1cc2c(cc1C(C)=O)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48781294
15039,COc1cc2c(cc1C(O)c1cccc(C#N)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6452644
15040,COc1cc2c(cc1C1CCCCO1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71535873
15041,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc(N(C)C)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7173679
15042,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)OCc3ccc(N4CCNCC4)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5144876
15043,COc1cc2c(cc1OC)C1Cc3cccc(OC(=O)c4ccco4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47674727
15044,COc1ccc(OCCCN2CCN(c3ccccc3OC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.9139962
15045,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1S(=O)(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.022071555
15046,COc1cccc(CCNCCOc2ccc(OS(C)(=O)=O)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20858912
15047,COc1cccc(CN2CCN(CCCC3NCC(=O)N3c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51750827
15048,COc1cccc2c1CN1CCc3cc(C(=O)Nc4ccccc4)c(C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.26504523
15049,COc1ccccc1N1CCN(CCN2CCC(C3=CC(O)=Nc4cc3ccccco4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72305745
15050,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(-c4cccc(O)n4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8659268
15051,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccnc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8079387
15052,COc1ccccc1N1CCN(CCN2CCC(c3cc4ccccc4c(O)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8071858
15053,COc1ccccc1NCc1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3739457
15054,CS(=O)(=O)NOc1ccc(OCCF)cc1C1CCN(CCc2ccc(C(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.66648936
15055,CSc1ccc(C(=O)NC2CCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.4625541
15056,Cc1cc(OCCC(=O)COc2ccc3c(c2)NC(=O)CC3)ccc1OBr,[*]CCOc1ccc(O[*])c([*])c1,0.13667504
15057,Cc1cc(OCCC(F)CCc2ccc3c(c2)NC(=O)CC3)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.18256223
15058,Cc1cc(OCCN2CCN(Cc3cccc(C(=O)OC(C)C)c3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2369235
15059,Cc1cc(OCCNC2CCN(Cc3ccc(F)cc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.37678474
15060,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(Cc2ccccc2F)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2150319
15061,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(Oc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.37702462
15062,Cc1cc(OCCOCc2ccccc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07181953
15063,Cc1cc(OCCSCc2ccc(F)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.03531665
15064,Cc1ccccc1N1CCN(CCN2CCC(COc3cccc4nc(O)ccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6578365
15065,FC(F)(F)CCCN1CCN(Cc2cccc(C3OCCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.612026
15066,O=C(NCc1ccncc1)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40497696
15067,O=C1OC(c2cccc(CN3CCN(CCCCl)CC3)c2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55821276
15068,O=S(=O)(NCC1CCN(CCN2CCN(c3ccccc3OC(F)(F)F)CC2)CC1)c1ccc2cccnc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76546365
15069,O=S(=O)(Nc1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1)c1cccs1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.41718972
15070,O=S1NC(c2cccc(CN3CCN(CCCCl)CC3)c2)Cc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67423004
15071,OCc1cc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c[nH]1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7486985
15072,Oc1cc2c(cc1O)C1Cc3cccc(C=NOc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7434061
15073,C=Cc1ccccc1OC1CCCN(CCOc2ccc(OOC)c(C)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.47858754
15074,CC(=O)NOc1ccc(OCCN2CCN(c3ccc(OCC(F)(F)F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5683291
15075,CC(C)OC1CCN(CCN2CCN(c3ccccc3-n3c(O)nc4cc(F)ccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6837354
15076,CCCCc1ccc(OC)cc1-c1cc(OCCC)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.050706744
15077,CCCNCc1cc(OCCC)ccc1OF,[*]CCOc1ccc(O[*])c([*])c1,0.097408645
15078,CCCNOc1ccc(OCCC)cc1CS(=O)(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.106525004
15079,CCCOc1ccc(OC=O)c(N2CCCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24588303
15080,CCCOc1ccc(OCl)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.87210894
15081,CCCOc1ccc(ON2CCC(Nc3ccccc3OC)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33416533
15082,CCCOc1ccc(ON=S(C)(=O)O)c(CN2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.44823417
15083,CCCOc1ccc(ONC=O)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.72005415
15084,CCCOc1ccc(OOC)c(CNCC2CCc3ccc(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.59044063
15085,CCCOc1ccc(OS(C)(=O)=O)c(CNC(=O)Cc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0324118
15086,CCCOc1ccc(OS(C)(=O)=O)c(NCCCc2coc3cc(F)ccc23)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06755072
15087,CCCc1ccc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8266398
15088,CN(C)Oc1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52807987
15089,CNOc1ccc(OCCCN2CCC(c3ccccc3OC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6612182
15090,COC(=O)CCOc1ccc(OC)c(N2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20429437
15091,COCCCN1CCN(Cc2cccc(CCN3C(=O)Cc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7261903
15092,COOc1ccc(OCCN2CCC(c3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.7151511
15093,COOc1ccc(OCCNS(=O)(=O)c2ccc(SC)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.03913652
15094,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(OCC(F)(F)F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6713181
15095,COc1cc2c(cc1O)C1Cc3cccc(Cn4cccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6948653
15096,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(N)CCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7866328
15097,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3ccc(NC(C)=O)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.37049964
15098,COc1cc2c(cc1OC(C)N(C)C)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8233018
15099,COc1cc2c(cc1OC)C1Cc3cccc(-c4cc(C)cc(O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68924654
15100,COc1cc2c(cc1OC)C1Cc3cccc(C(F)(F)Oc4ccc(CO)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7031415
15101,COc1cc2c(cc1OC)C1Cc3cccc(C(O)c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67787087
15102,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc(C(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67745703
15103,COc1ccc(OCCC(C)=O)cc1N1CCCC(c2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.26193327
15104,COc1ccc(OCCC(N)=O)cc1CCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06707173
15105,COc1ccc(OCCC=Cc2ccc(C(C)C)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10070736
15106,COc1ccc(OCCN2CCC(c3cccc(C(N)=O)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.53924745
15107,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1NS(=O)(=O)Cc1ccc(SC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.012239762
15108,COc1ccc(OCCNC(C)=O)cc1CCc1ccccc1OC1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.13695906
15109,COc1ccc(OCCNS(=O)(=O)c2ccccc2C(C)C)cc1N1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.3969121
15110,COc1ccc(OCCNS(C)(=O)=O)cc1S(=O)(=O)c1cccc(NS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09478666
15111,COc1ccc(OCCOC(C)=O)cc1NS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.040754598
15112,COc1ccc(OCCS(C)(=O)=O)cc1Nc1ccccc1OCC(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.06476081
15113,COc1ccc2cc(C(=O)NCc3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)oc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73237836
15114,COc1cccc(CC2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.665914
15115,COc1cccc2c1CN1CCc3cc(-c4ccc(CO)cc4)c(CO)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5561277
15116,COc1ccccc1-c1ccc(C(=O)NCCN2CCN([N+](=O)[O-])CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26257488
15117,COc1ccccc1NC(=O)NOc1ccc(OCCF)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.024366315
15118,CSOc1ccc(OCCN2CCC(c3ccc(C(C)=O)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5398027
15119,Cc1cc(OCCNCC2CC(=O)c3ccccc3C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1476172
15120,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(C2=CC=C3C=CC(CCCC2)O3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.23268974
15121,Cc1cc(OCCNS(C)(=O)=O)ccc1ONC(=O)CCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.02743698
15122,Cc1cc(OCCNS(C)(=O)=O)ccc1ONCCc1cccc2c1CCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.108446635
15123,Cc1ccccc1N1CCN(CCN2CCC(c3cccc(NC(=O)c4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.57570636
15124,Cc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.671583
15125,Clc1cccc(CN2CCN(CCCC3CNc4ccccc4C3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7027506
15126,Fc1ccc(-c2csc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)n2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6759563
15127,Fc1ccccc1N1CCN(CCN2CCC(c3ncc(-c4ccccc4)o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6489154
15128,O=C(Cc1cccc(CN2CCN(CCCOC(F)(F)F)CC2)c1)NC1CCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.50739896
15129,O=C(Nc1ccccc1)c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.36086434
15130,O=C1CCc2ccc(F)cc2N1c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6741653
15131,O=S(=O)(NC1CCN(CCN2CCN(c3ccccc3OC(F)(F)F)CC2)CC1)c1ccc(F)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78966117
15132,O=S(=O)(c1ccccc1)c1ccccc1N1CCN(CCN2CCC(C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.670592
15133,Oc1ccccc1N1CCN(CCN2CCC(n3cccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72577477
15134,CCC1CCC(O)c2cc(CC3CCCCC3)ccc2N1c1cc(OCCS(C)(=O)=O)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.1333292
15135,CCCOc1ccc(OC)c(CN2CCCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.80084425
15136,CCCOc1ccc(ONS(C)(=O)=O)c(C(=O)COc2ccc3cccc(C)c3c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.039306156
15137,CCCOc1ccc(OOC)c(CCCc2cccc3c2CCC(=O)N3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16350676
15138,CCCOc1ccc(OS(C)(=O)=O)c(NCCc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17478986
15139,CCCOc1ccc(OSC)c(CC(C)COc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25269815
15140,CCCOc1ccc(OSC)c(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0763111
15141,CCNC(=O)Nc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.37342155
15142,CCc1ccc(COCc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8056454
15143,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccc(C)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.573438
15144,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3cccc(F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7803138
15145,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4ccc(OO)cc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8079256
15146,COCCCN1CCN(Cc2cccc(-c3cc4ccccc4sc3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.461029
15147,COOc1ccc(OCCNC(=O)COc2ccccc2)cc1CC1CCNC(=O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.07218372
15148,COc1cc(C(=O)NCCN2CCN(O)CC2)ccc1-c1cccc(C)c1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.21086018
15149,COc1cc2c(cc1C(=O)NC1CCCCC1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42266673
15150,COc1cc2c(cc1Cl)CCN1Cc3c(Cc4ccc5ccccc5c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5751242
15151,COc1cc2c(cc1O)C1Cc3cccc(C(=O)Nc4cccc(C)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3523024
15152,COc1cc2c(cc1O)C1Cc3cccc(C(=O)Nc4cccc([N+](=O)[O-])c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34696358
15153,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc5ccc(C#N)cc5c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5834961
15154,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(CCO)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7421991
15155,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc4ccccc4n3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6628293
15156,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cccc(CNC(C)=O)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42071795
15157,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCC3CCCCN3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6447221
15158,COc1ccc(C2CCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)CC2)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.46694124
15159,COc1ccc(OCCCNCc2ccccc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.19895163
15160,COc1ccc(OCCN2C=CCC(Cc3ccc4ccccc4c3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.20433159
15161,COc1ccc(OCCN2CCC(C(=O)c3ccccc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.51175517
15162,COc1ccc(OCCN2CCC(c3cccc(C(F)(F)F)c3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.65154785
15163,COc1ccc(OCCN=S(C)(=O)O)cc1OCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.095875755
15164,COc1ccc(OCCNC(=O)Cc2ccc3c(c2)CC(=O)CC3)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.045651376
15165,COc1ccc(OCCNS(C)(=O)=O)cc1CS(=O)(=O)c1cc(Cl)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.101751775
15166,COc1ccc(OCCS(C)(=O)=O)cc1C1CCC(CN2CCCC(c3ccc(F)cc3)C2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.40999168
15167,COc1cccc(CN2CCN(CCCC(C)N3C(=O)c4ccccc4C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55175596
15168,COc1cccc(CN2CCN(CCCCOc3cccc(-c4ccco4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58228636
15169,COc1cccc(CN2CCN(CCCOc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7684523
15170,COc1cccc(COc2cc3c(cc2CO)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52260536
15171,COc1cccc2c1CN1CCc3cc(Cc4c[nH]c5ncccc45)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6804832
15172,COc1cccc2c1CN1CCc3cc(Nc4cccc(Cl)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4901637
15173,COc1ccccc1N1CCN(CCN2CCC(C(=O)NCc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8736346
15174,COc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccccn4)o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81271917
15175,COc1ccccc1N1CCN(CCN2CCC(c3ccc4cc(C(N)=O)ccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6570096
15176,CSc1ccc(CS(=O)(=O)NOc2ccc(OCCNS(C)(=O)=O)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.05426509
15177,Cc1cc(OCCF)ccc1ON1CCC(Oc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.46159708
15178,Cc1cc(OCCN2CCN(Cc3ccc(F)cc3)CC2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.44310516
15179,Cc1cc(OCCN=S(C)(=O)O)ccc1OCN1C(=O)CCc2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.14219289
15180,Cc1cc(OCCS(C)(=O)=O)ccc1OCCCc1ccc(C2CCNCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.16127723
15181,Cc1cc2c(cc1-c1ccc(CO)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65583813
15182,Cc1ccccc1-c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6230383
15183,FC(F)(F)CCCN1CCN(Cc2cccc(-c3ccc4c(c3)OCO4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4823652
15184,FCCCN1CCN(Cc2cccc(C3COc4ccccc4N3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69197
15185,Fc1cnc(C2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)nn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77849776
15186,O=C(NCCCCN1CCN(Cc2cccc(Cl)c2)CC1)C1CCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6665529
15187,Oc1cccc2c1CN1CCc3cc(-c4ccc(Cl)cc4F)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6885398
15188,Oc1cccc2c1CN1CCc3cc(C(O)c4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6400635
15189,C=Cc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.34548882
15190,CC1CCN(CCN2CCN(c3ccccc3-c3ccc(F)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7693189
15191,CCCOc1ccc(ON2CCC(COc3ccc4c(c3)NC(=O)CC4)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3096718
15192,CCCOc1ccc(ON=S(C)(=O)O)c(NCC2CCc3ccc(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3658764
15193,CCCOc1ccc(OSC)c(N2CCCC(CCc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2862991
15194,CCCOc1ccc(OSC)c(N2CCCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31221494
15195,CCOc1ccccc1C(=O)NOc1ccc(OCCOC)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.030165343
15196,COC(=O)c1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(-c4ccccn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.63075465
15197,COCCCN1CCN(Cc2cccc(CNC(=O)c3cc4ccccc4ccc3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.44574028
15198,COCCCN1CCN(Cc2cccc(N3CCC(=O)c4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5859871
15199,COCCOc1ccc(OC)c(CC(O)CCN2CCCc3cccc2c3OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32207835
15200,COCCOc1ccc(OC)c(CN2CCN(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08614537
15201,COOc1ccc(OCCC(F)Cc2ccccc2)cc1CCN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.81389385
15202,COc1cc2c(cc1O)C1Cc3cccc(C=NO)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.768911
15203,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)Nc3cccc(C#N)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3854175
15204,COc1cc2c(cc1OC)C1Cc3cccc(C=Nc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7606867
15205,COc1cc2c(cc1OC)C1Cc3cccc(CC(=O)[N+](C)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4989316
15206,COc1ccc(-c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)c(C=O)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6225357
15207,COc1ccc(C(C)=O)cc1N1CCN(CCOc2ccc(OC)c(S(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.61697024
15208,COc1ccc(NC(=O)c2cc3c(cc2OC)CCN2Cc4c(C)cccc4CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.33896706
15209,COc1ccc(NCc2cc3c(cc2OC)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56862414
15210,COc1ccc(OCCF)cc1C1CCN(S(=O)(=O)c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1419824
15211,COc1ccc(OCCN(C)C)cc1NC(=O)c1ccc2ccccc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.0228584
15212,COc1ccc(OCCN2CCC(c3ccc(CS(C)(=O)=O)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6174874
15213,COc1ccc(OCCN2CCC(c3cccc(C(F)(F)F)c3)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5953373
15214,COc1ccc(OCCNCC(=O)c2ccccc2F)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.61233616
15215,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(CCc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.33427536
15216,COc1ccc(OCCS(N)(=O)=O)cc1NC(=O)COc1ccc(C(F)(F)F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.009456897
15217,COc1cccc(CCCCN2CCN(Cc3cccc(C(F)C4CCc5ccccc5O4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7193925
15218,COc1cccc(CN2CCN(CCCC34C=CC=CC3=CC=CC4=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.47887552
15219,COc1cccc(CN2CCN(CCCCn3cccc3-c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6781156
15220,COc1cccc(Nc2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5085798
15221,COc1cccc2c1CN1CCc3cc(-c4cccc(F)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68844044
15222,COc1ccccc1C(=O)NCCOc1ccc(ONC(C)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.029108293
15223,COc1ccccc1N1CCN(CCN2CCC(COc3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8196837
15224,COc1ccccc1N1CCN(CCN2CCC(COc3cccc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84559107
15225,COc1ccccc1N1CCN(Oc2ccc(OCCC=O)cc2F)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.33963874
15226,Cc1cc(OCCCCCCc2ccccc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10691738
15227,Cc1cc(OCCNC(=O)c2ccc(F)cc2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.027597042
15228,Cc1cc(OCCS(C)(=O)=O)ccc1OCCCc1ccc2c(c1)NC(=O)CCC2,[*]CCOc1ccc(O[*])c([*])c1,0.18141697
15229,Cc1cccc(COc2cc3c(cc2C)CCN2Cc4c(O)cccc4CC32)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6827647
15230,Cc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3ccc(F)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6346652
15231,Cc1ccccc1N1CCN(CCN2CCC(n3c(O)ccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.60135806
15232,Cc1csc(-c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6627957
15233,ClCCCN1CCN(Cc2cccc(-c3cccc4c3-c3ccccc3C4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7084393
15234,Fc1ccccc1N1CCN(CCN2CCC(c3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7467404
15235,NC(c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2)C1CCCCC1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5843245
15236,O=C(CCCCN1CCN(Cc2cccc(Cl)c2)CC1)NC1CCCCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5636354
15237,O=C(O)[N+](=Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)c1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44317752
15238,O=CNc1ccccc1-c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.37366074
15239,O=S1(=O)Cc2ccccc2N1Cc1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6686934
15240,O=[N+]([O-])c1ccc(Cc2cccc3c2CN2CCc4cc(Cl)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47865713
15241,Oc1cc(-c2cccc(OCc3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)c2)c2ccccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71264684
15242,Oc1cc2c(cc1-c1ccc(O)c3ccccc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72569615
15243,CC(=O)c1ccc(F)cc1N1CCN(CCOc2ccc(ON=S(C)(=O)O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6072925
15244,CC1(C)CC(=O)c2cccc(CCCN3CCN(Cc4cccc(Cl)c4)CC3)c2O1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5074726
15245,CCCCN1CCCCC1C(=O)Nc1cc(OCCC)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.10685985
15246,CCCNOc1ccc(OCCNS(=O)(=O)c2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.086083315
15247,CCCOc1ccc(OC)c(CNS(=O)(=O)c2ccc(Cl)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06315116
15248,CCCOc1ccc(ON=S(C)O)c(CCCc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2448726
15249,CCCOc1ccc(OOC)c(C2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36571
15250,CCCOc1ccc(OOC)c(CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11238714
15251,CCCOc1ccc(OOc2ccccc2CCC)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22098686
15252,CCCOc1ccc(OS(C)(=O)=O)c(CN2CCC(Oc3ccc(CCC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.42182854
15253,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(Oc3ccc(CCCF)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18920752
15254,CCOCCCN1CCN(Cc2cccc(C(=O)Nc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.34468862
15255,CCOc1cccc(CN2CCN(CCCC3CCc4ccccc4C3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61627895
15256,CCOc1ccccc1CN1CCN(CCOc2ccc(ONS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3764418
15257,CN(Cc1ccccc1)Cc1cccc2c1CN1CCc3cc(Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.729854
15258,CNC(=O)c1cc2c(cc1Cl)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4980227
15259,CNc1ccc(C(=O)NCc2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6766841
15260,COC1CCN(CCN2CCN(c3ccccc3-c3cn(C)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71878415
15261,COCCOc1ccc(ONCc2cccs2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08359981
15262,COOc1ccc(OCCNC(=O)COc2ccc3c(c2)CCC(=O)N3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.049613323
15263,COc1cc2c(cc1C(=O)Nc1ccc(C)cc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32611042
15264,COc1cc2c(cc1Cc1ccsc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7907672
15265,COc1cc2c(cc1O)C1Cc3cccc(OCc4cccc([N+](=O)[O-])c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4923489
15266,COc1cc2c(cc1O)C1Cc3cccc(O[N+](C)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76556194
15267,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)c3ccc(C)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50271505
15268,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3ccccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73851097
15269,COc1cc2c(cc1OC)C1Cc3cccc(C(N)Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6960293
15270,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc(C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58834076
15271,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc(O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71029633
15272,COc1cc2c(cc1OCCCCOc1ccc(OSC)c(C)c1)OCN2,[*]CCOc1ccc(O[*])c([*])c1,0.14086865
15273,COc1ccc(C(=O)Nc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.29733315
15274,COc1ccc(CC2CCN(Oc3ccc(OCCN=S(C)(=O)O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.13635214
15275,COc1ccc(COCc2cc3c(cc2OC)CCN2Cc4c(Cc5ccccc5)cccc4CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6514531
15276,COc1ccc(OCCC2(F)CCC(NS(C)(=O)=O)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13776202
15277,COc1ccc(OCCN2CCC(c3ccccc3OC3CC3)CC2)cc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.74286604
15278,COc1ccc(OCCNS(C)(=O)=O)cc1CC(=O)COc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.11838985
15279,COc1ccc(OCCNS(C)(=O)=O)cc1CN1CCC(c2ccccc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4701214
15280,COc1ccc(OCCNS(C)(=O)=O)cc1NCC1CCc2cc(F)ccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.3889331
15281,COc1cccc(CN2CCN(CCCC(=O)N3CC(C)(C)c4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.510737
15282,COc1cccc(CN2CCN(CCCC3CCC(NC(=O)C=Cc4ccccc4)CC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5901292
15283,COc1cccc2c1CN1CCc3cc(CNc4ccccc4)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56194997
15284,CSc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7955495
15285,Cc1cc(OCCC=CCOc2ccc3c(c2)NC(=O)CC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1751108
15286,Cc1cc(OCCCC2C(=O)CCc3ccc(CCC(F)(F)F)cc32)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.24226837
15287,Cc1cc(OCCCc2cccc(F)c2)ccc1OCN1CCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5207342
15288,Cc1cc(OCCN2CC(Cc3ccc4ccccc4c3)CCN2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16807584
15289,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCS4)CC2)ccc1OCNS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.553489
15290,Cc1cc(OCCN2CCC(c3ccccc3)CC2)ccc1OCS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6094163
15291,Cc1cc(OCCNC(=O)CCc2ccc3c(c2)NC(=O)CC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.054965988
15292,Cc1cc2c(cc1F)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7354571
15293,Cc1ccc(OC2CCN(COc3ccc(OCCF)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.3623247
15294,Cc1cccc2c1CN1CCc3cc(O)c(COCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52929306
15295,Cc1ccccc1N1CCN(CCN2CCC(c3ccc(Br)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66842926
15296,O=C(CO)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3057782
15297,Oc1cc2c(cc1-c1cccnc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54353017
15298,Oc1cc2c(cc1O)C1Cc3cccc(-c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6702454
15299,Oc1ccc2c(c1)OC(CNc1ccccc1N1CCN(CCN3CCC(Cl)CC3)CC1)CC2,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.49501154
15300,c1ccc(CCCN2CCN(Cc3cccc(-c4cccc5ccccc45)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63007885
15301,C=CCOC1CCN(CCOc2ccc(OC)c(N=S(C)(=O)O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.56870544
15302,C=COc1cccc(-c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60595745
15303,CCCNc1cc(OCCOC)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.08591421
15304,CCCOc1ccc(OC(F)CCc2ccccn2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10793796
15305,CCCOc1ccc(OC)c(NC(=O)c2ccc3c(c2)N(C)C(=O)C(CCC)C3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15089431
15306,CCCOc1ccc(OCCOc2ccccc2CC)c(NS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13710731
15307,CCCOc1ccc(OS(C)(=O)=O)c(N2CCN(c3ccccc3CC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23332368
15308,CCCOc1ccc(OS(C)(=O)=O)c(NCC2CCc3c(F)cccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5201504
15309,CCCOc1ccc(OS(N)(=O)=O)c(N2CCCC(Cc3ccc(OC4CCCNC4)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18193947
15310,CCCOc1ccc(Oc2cc3cc(NC(C)=O)ccc3n2Cc2ccc(F)cc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.036359165
15311,CCCn1cc(CCOc2ccc(OC=NOC)c(CCN3CCN(c4ccccc4OC)CC3)c2)nn1,[*]CCOc1ccc(O[*])c([*])c1,0.82861704
15312,COC1CCN(CCN2CCN(c3ccccc3C(O)C3CCc4cc(O)ccc4O3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7408968
15313,COC1CCN(CCN2CCN(c3ccccc3Nc3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5203266
15314,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4ccc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8242931
15315,COCCOc1ccc(OCOCc2ccccc2)c(C(=O)Cc2ccc3c(c2)CC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11017086
15316,COc1cc2c(cc1-c1cccc3cccc(O)c13)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69602793
15317,COc1cc2c(cc1Cc1cccc([N+](C)=O)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7301081
15318,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccccc3C=O)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66031265
15319,COc1cc2c(cc1OC)C1Cc3cccc(CN4CCCCC4=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45105276
15320,COc1cc2c(cc1OC)C1Cc3cccc(CNC(=O)CCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.27302256
15321,COc1cc2c(cc1OO)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77579707
15322,COc1ccc(OCCC(C)Cc2ccccc2)cc1CN1CCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.66112316
15323,COc1ccc(OCCC(N)=O)cc1CCC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.19610962
15324,COc1ccc(OCCF)cc1CNC(=O)c1ccc(C(=O)C2CCN(C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.2518012
15325,COc1ccc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.6646676
15326,COc1ccc(OCCN2CCCN(c3ccccc3OC)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.8950448
15327,COc1ccc(OCCNC(=O)Cc2ccc3c(c2)NC(=O)CC3)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08002997
15328,COc1ccc(OCCNC(=O)Cc2ccc3cccc(OC)c3c2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.016602885
15329,COc1ccc(OCCNS(C)(=O)=O)cc1-c1ccc(C2CCNC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.16667657
15330,COc1cccc(C2CCN(CCN3CCN(c4ccccc4OCCF)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8951328
15331,COc1cccc(CN2CCN(CCCc3ccccc3C=Cc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64929086
15332,COc1cccc2c1CN1CCc3cc(-c4ccnc5ccccc45)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5990008
15333,COc1cccc2c1CN1CCc3cc(CCO)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7010834
15334,COc1ccccc1-c1cc(C(=O)NCCN2CCN(C=O)CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.36736122
15335,COc1ccccc1N1CCN(CCN2CCC(COc3ccc4ccnn4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80623454
15336,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccn4nccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7179366
15337,COc1ccccc1N1CCN(CCN2CCC(c3cc(Br)c4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82660764
15338,COc1ccccc1N1CCN(CCN2CCC(c3cc(F)ccc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8393791
15339,COc1ccccc1N1CCN(CCN2CCC(n3ccc(-c4ccc(F)cc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.777525
15340,CSOc1ccc(OCCN2CCC(c3cccc(NC(C)=O)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.51183003
15341,Cc1cccc(-c2cc(C(=O)NCCN3CCN(O)CC3)ccc2F)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.25201473
15342,Cc1cccc(CC2CCCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38030952
15343,Cc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3ccc(C#N)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.49277565
15344,FCCCN1CCN(Cc2cccc(CNc3cc4ccccc4cn3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62322927
15345,Fc1ccccc1N1CCN(CCN2CCC(Cc3cc4ccccn4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67996264
15346,N#Cc1ccc(C2CCN(CCN3CCN(c4ccccc4[N+](=O)[O-])CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5804623
15347,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)c1cc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6843292
15348,O=C(c1cccc(CN2CCN(CCCCl)CC2)c1)C1Cc2ccccc2C(=O)N1c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.514628
15349,O=C1COc2cc(-c3cccc(CN4CCN(CCCF)CC4)c3)ccc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6704941
15350,O=S(=O)(c1ccc(Cl)cc1)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6105812
15351,O=[N+]([O-])c1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)n1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40803823
15352,O=[N+]([O-])c1ccnc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47407642
15353,Oc1cc(-c2ccccc2)nn1-c1ccccc1N1CCN(CCN2CCC(F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70101917
15354,CC(=O)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5331033
15355,CC(C)Oc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7375841
15356,CC(c1ccccc1)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62806267
15357,CC1Cc2ccccc2N(CCCN2CCN(Cc3cccc(Cl)c3)CC2)C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6939442
15358,CCCOc1ccc(OC#N)c(N2CCC(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3103474
15359,CCCOc1ccc(ON2CCN(c3cccc(C(C)C)c3)C(=O)C2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1963032
15360,CCCOc1ccc(OOC)c(CNCCc2ccc3c(c2)CCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2524059
15361,CCCOc1ccc(OS(=O)(=O)N(C)C)c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22808646
15362,CCCOc1ccc(OS(=O)(=O)O)c(N2CCCC(c3ccc(CC(F)(F)F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17167076
15363,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)CCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.010596875
15364,CCOCCCN1CCN(Cc2cccc(C(=O)c3cc4ccccc4s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.39709088
15365,CCc1ccccc1C1CCN(CCCOc2ccc(OC)c(SC)c2)CO1,[*]CCOc1ccc(O[*])c([*])c1,0.506649
15366,COC(=O)CCCN1CCN(Cc2cccc(-c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46653658
15367,COCCCN1CCN(Cc2cccc(-c3coc(-c4ccccc4)n3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59397507
15368,COCc1cccc(-c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6614932
15369,COc1cc(C)ccc1OCCCCOc1ccc(OS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08511483
15370,COc1cc2c(cc1O)C1Cc3cccc(C(N)COc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7416216
15371,COc1cc2c(cc1O)C1Cc3cccc([N+](C)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.702968
15372,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc4cccc(CO)c4c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6162803
15373,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(F)(F)F)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8034583
15374,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCC[O-])CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73549527
15375,COc1cc2c(cc1OC)C1Cc3cccc([N+](=O)c4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6636452
15376,COc1ccc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)cc1Br,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.9440449
15377,COc1ccc(COc2cc3c(cc2OC)C2Cc4cccc(C=O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.682043
15378,COc1ccc(OCCCCNC(=O)c2cccc(C)c2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.039124977
15379,COc1ccc(OCCCl)cc1N1CCCN(c2ccccc2OCCF)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.42096004
15380,COc1ccc(OCCF)cc1CS(=O)(=O)c1ccc(Cl)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.048339996
15381,COc1ccc(OCCF)cc1NS(=O)(=O)Cc1ccc(C(C)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.027625734
15382,COc1ccc(OCCN2CCCC(Cc3ccc(OC4CCCCC4)cc3)C2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.41076705
15383,COc1ccc(OCCNC(C)=O)cc1N1CCC(c2ccccc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.15257356
15384,COc1ccc(OCCS(N)(=O)=O)cc1C1CCC1CS(=O)(=O)c1cccc2c1NC(=O)CCC2,[*]CCOc1ccc(O[*])c([*])c1,0.270829
15385,COc1cccc(CN2CCN(CCCC3CCc4c(O)cccc4O3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6143115
15386,COc1cccc(CN2CCN(CCCCN3C(=O)CSc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6808421
15387,COc1cccc2c1CN1CCc3cc(-c4ccc(OCc5ccccc5)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6818456
15388,COc1cccc2c1CN1CCc3cc(-c4ccc5cccc(CO)c5c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67520547
15389,COc1cccc2c1CN1CCc3cc(O)c(-c4cccc(C(F)(F)F)c4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66688
15390,COc1cccc2c1CN1CCc3cc(OCc4ccc(CO)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6304057
15391,COc1ccccc1CC1CCN(CCCOc2ccc(ONS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.60588163
15392,COc1ccccc1N1CCN(CCN2CCC(c3ccc(Cl)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8787259
15393,COc1ccccc1N1CCN(CCN2CCC(c3nc4ccccc4n3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.814178
15394,CSCc1ccccc1OC1CCN(CCOc2ccc(ON=S(C)(=O)O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4266535
15395,Cc1cc(OCCCN2CCc3ccccc3C2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.57770646
15396,Cc1cc(OCCN2CCC(Cc3ccc4ccccc4n3)CC2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.51679623
15397,Cc1cc(OCCN2CCCC(Cc3ccc4ccccc4c3)C2)ccc1OS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.37137887
15398,Cc1cc(OCCN2CCCC(c3ccc(F)cc3)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.48787376
15399,Cc1cc(OCCN2CCN(C)CC2)ccc1ONC(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.25620782
15400,Cc1cc(OCCNS(=O)(=O)c2ccc(F)cc2)ccc1OCN1CCC(C=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.38498923
15401,Cc1cc(OCCNc2ccccc2S(C)(=O)=O)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.034013312
15402,Cc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1coc(O)n1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.22418736
15403,ClC1CCN(CCN2CCN(c3ccccc3Cc3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7366582
15404,ClCCCN1CCN(Cc2cccc(-c3ccc4cccnc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6549153
15405,ClCCCN1CCN(Cc2cccc(N3c4ccccc4CCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7329255
15406,N#Cc1ccccc1Cc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7848738
15407,O=C(Nc1cccc(F)c1)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3233437
15408,O=[N+]([O-])c1ccccc1N1CCN(CCN2CCC(c3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.51618266
15409,O=c1ccc(CCCN2CCN(Cc3cccc(F)c3)CC2)co1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6570082
15410,c1ccc(CCCN2CCN(Cc3cccc(Cc4ccc5c(c4)OCO5)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.52276653
15411,C#Cc1ccccc1-c1cc(C(=O)NCCN2CCN(O)CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3789834
15412,CC(=O)Nc1cccc(Cc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.30457407
15413,CC(O)c1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccccc4)ncn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5950973
15414,CC1CCN(CCN2CCN(c3ccccc3Cc3cnc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7504806
15415,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(Cc3cccc4c3NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.41178107
15416,CCCOc1ccc(OS(C)(=O)=O)c(CC(CCc2ccc3c(c2)NC(=O)CC3)OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.254109
15417,CCCOc1ccc(OS(C)(=O)=O)c(N2C=C(O)CCC2Nc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12550868
15418,CCCOc1ccc(OS(N)(=O)=O)c(-c2ccc(OCC3CCCNC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16177978
15419,CCCOc1ccc(OSC)c(N2CCN(c3ccccc3OCC(F)(F)F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37911645
15420,CCCOc1ccc(OSC)c(NC(=O)c2ccc(OCC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.020616667
15421,CCOC(=O)NCc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43881723
15422,CCOC(=O)c1cc(OCCNC(=O)c2ccc(F)c(F)c2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.0144216465
15423,CCOCCCN1CCN(Cc2cccc(-c3nc4ccccc4s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5382205
15424,CCOc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32560077
15425,CCOc1ccccc1N1CCN(CCN2CCC(COc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79971296
15426,CCOc1ccccc1N1CCN(CCN2CCC(c3cnccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8339601
15427,CCc1ccc(OC)c(S(=O)(=O)NCCOc2ccc(OS(C)(=O)=O)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.077274464
15428,CCc1ccc(OC2CCN(c3cc(OCCS(C)(=O)=O)ccc3OC)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.28230882
15429,COC(=O)NCc1cccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44014004
15430,COC1CCN(CCN2CCN(c3ccccc3-c3cnc(N)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74769497
15431,COC1CCN(CCN2CCN(c3ccccc3COc3ccc4cc(O)ncc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70668155
15432,COCCCN1CCN(Cc2cccc(Cc3cccc(C=Cc4ccccc4)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5800517
15433,COCCOc1ccc(OCF)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8196276
15434,COOc1ccc(OCCN2CCN(c3ccccc3OC)CC2)cc1C=O,[*]CCOc1ccc(O[*])c([*])c1,0.8767486
15435,COc1cc2c(cc1Cl)CCN1Cc3c(COCc4ccc(CN(C)C)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65371794
15436,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(N(C)C)c5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6235068
15437,COc1ccc(OCCBr)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8194721
15438,COc1ccc(OCCCn2cccc2)cc1CS(=O)(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.17262566
15439,COc1ccc(OCCN2CCC(CCc3ccc4c(c3)NC(=O)CC4)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.73058325
15440,COc1ccc(OCCN2CCC(c3ccc(CS(C)(=O)=O)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.7138287
15441,COc1ccc(OCCN2CCC(c3ccc(F)cc3)CC2)cc1OCS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.72606015
15442,COc1ccc(OCCNC(=O)C2CCCCC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.03238192
15443,COc1ccc(OCCNC(=O)c2ccc(C)c(Cl)c2)cc1S(=O)(=O)CNc1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.03405803
15444,COc1ccc(OCCNCC2CCC(NS(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.081921466
15445,COc1ccc(OCCNS(=O)(=O)c2ccc(CCF)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06350066
15446,COc1ccc2cccc(C(=O)NC3CCN(CCN4CCN(c5ccccc5OC)CC4)CC3)c2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8261334
15447,COc1cccc2c1CN1CCc3cc(OC(=O)Nc4c(Cl)cccc4Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3921842
15448,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cnc4ccc(O)cc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85136515
15449,COc1ccccc1N1CCN(CCN2CCC(Nc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8571371
15450,COc1ccccc1N=COc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61436677
15451,Cc1cc(CCCN2CCN(Cc3cccc(Cl)c3)CC2)on1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6447463
15452,Cc1cc(OCCCCOc2ccccc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08565423
15453,Cc1cc(OCCCc2ccc(S(C)(=O)=O)cc2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.053025264
15454,Cc1cc(OCCF)ccc1ON1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.32370925
15455,Cc1cc(OCCN2CCC(c3ccc(F)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.69857365
15456,Cc1cc(OCCNCS(N)(=O)=O)ccc1ON1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.33096844
15457,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(Oc2ccc(CCCF)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19623885
15458,Cc1cc(OCCS(C)(=O)=O)ccc1OC1CCC(c2ccc(OCC(F)(F)F)cc2)CN1,[*]CCOc1ccc(O[*])c([*])c1,0.11448565
15459,Cc1cccc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7923657
15460,Clc1ccccc1N1CCN(CCN2CCC(Nc3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8367159
15461,Clc1ccn(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78652734
15462,Fc1ccc(OCc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67924994
15463,O=CC1Cc2ccccc2N1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5035003
15464,O=NC(c1cccc(CN2CCN(CCCCl)CC2)c1)C1(c2ccccc2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60322964
15465,Oc1cc2c(cc1Cc1ccccc1)C1Cc3cccc(F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61660206
15466,Oc1cccc2c1CN1CCc3cc(C=NOc4cccc(Cl)c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6448887
15467,C=CC1Cc2ccccc2N1C(=O)CCCCN1CCN(Cc2cccc(OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6921578
15468,CC(=O)c1ccc(N2CCN(CCOc3ccc(ONC=S(C)(=O)O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.4624347
15469,CCCOc1ccc(OC(N)=O)c(N2CCN(C(C=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14679402
15470,CCCOc1ccc(OC(N)=O)c(NCCC2CCc3cc(F)ccc3O2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23259124
15471,CCCOc1ccc(OC)c(CN2CCC(OC(=O)c3ccc(CCF)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35213527
15472,CCCOc1ccc(OC)c(NC(=O)Cc2ccc3c(c2)N(S(C)(=O)=O)CCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09098319
15473,CCCOc1ccc(OCCCc2ccncc2)c(CN(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10897129
15474,CCCOc1ccc(ON)c(N2CCC(CC(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3113924
15475,CCCOc1ccc(OOC)c(NC(=O)c2cccc(OC)c2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.02874962
15476,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCC(CCc3ccc4c(c3)CC(=O)CN4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3708982
15477,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)COc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.007459181
15478,CCCOc1ccc(OS(C)(=O)=O)c(NCC2CCc3ccc(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.45612037
15479,CCCOc1ccc(OS(C)(=O)=O)c(NCCCc2cccs2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06821294
15480,CCCc1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.808109
15481,CCN1C(=O)CCc2ccc(OCC(=O)CCOc3ccc(OC)c(S(C)(=O)=O)c3)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.17268936
15482,CCOc1ccccc1N1CCN(CCN2CCC(c3cc(Br)ccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7425544
15483,CCc1cccc2c1CN1CCc3cc(O)c(C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6158339
15484,COC1CCN(CCN2CCN(c3ccccc3C3CCc4ccc(O)cc4O3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7589805
15485,COOc1ccc(OCCN2CCN(C(=O)c3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.19090272
15486,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1cccc(OC)c1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27186808
15487,COc1cc(C(=O)NCCN2CCN(c3ccccc3C)CC2)ccc1C=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.6026806
15488,COc1cc2c(cc1Cl)CCN1Cc3c(Cc4ccc([N+](=O)[O-])cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39821726
15489,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc(CN(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6649058
15490,COc1cc2c(cc1OC)C1Cc3cccc(OC(=O)C4CCCCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.409739
15491,COc1cc2c(cc1[N+](=O)c1ccc(C#N)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6472756
15492,COc1ccc(OCCC=Cc2ccc(OC3CCNCC3)cc2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.30421606
15493,COc1ccc(OCCF)cc1CCN1CCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.87912554
15494,COc1ccc(OCCN2CCC(Cc3ccc(F)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.65248024
15495,COc1ccc(OCCN2CCC(c3cccc(SC)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6815544
15496,COc1ccc(OCCNC(=O)c2ccc3ccccc3c2)cc1N(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.04313627
15497,COc1ccc(OCCNS(C)(=O)=O)cc1N1C(=O)CCc2ccc(CCC3CCCCC3)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.19704401
15498,COc1ccc(OCCSC)cc1CCNC(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.022282526
15499,COc1ccc2ccc(CC3CCN(CCOc4ccc(OOS(C)(=O)=O)c(C)c4)CC3)cc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.48375583
15500,COc1cccc(Cl)c1NC(=O)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47232667
15501,COc1ccccc1N1CCN(CCN2CCC(COc3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8570228
15502,COc1ccccc1N1CCN(CCN2CCC(c3cccc(-c4ccc(F)cc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8018431
15503,COc1ccccc1N1CCN(CCN2CCC(c3cn(C)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8654909
15504,COc1ccccc1N1CCN(Oc2ccc(OCCC(=O)N3CCCCC3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.06491133
15505,COc1ccccc1N1CCN(Oc2ccc(OCCc3ccc(F)cn3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21510999
15506,COc1ccccc1NC(=O)c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34296897
15507,COc1ccccc1NC1CCN(CCOc2ccc(OOS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.55859596
15508,COc1ccn(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78081304
15509,CSc1ccc(CC2CCN(Cc3cc(OCCF)ccc3ONC(C)=O)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.33788803
15510,Cc1cc(OCCNC(=O)c2ccc(F)c(NS(C)(=O)=O)c2)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.015592148
15511,Cc1cc(OCCOS(C)(=N)=O)ccc1ON1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.26088697
15512,Cc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc(F)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6555204
15513,ClC1CCN(CCN2CCN(c3ccccc3-c3ncc(-c4ccccc4)[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7996603
15514,FCCCN1CCN(Cc2cccc(-c3ccc4c(c3)Cc3ccccc3-4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.74157727
15515,O=C(Oc1cccc(F)c1)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44807464
15516,O=C1Cc2ccccc2N1CCCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.80199826
15517,O=C1N(c2cccc(CN3CCN(CCCF)CC3)c2)CCN1c1cccc2nc(O)ccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6371404
15518,O=S(=O)(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1cccc(Cl)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.56541055
15519,Oc1cc2c(cc1O)C1Cc3cccc(C4CCCN4OCc4ccc5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5513851
15520,CC1Cc2ccccc2N1C(=O)c1cccc(CN2CCN(CCCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7323913
15521,CCCCN1CCN(Cc2cccc(N3CCCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5994136
15522,CCCOc1ccc(OCF)c(CN2CCCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7794803
15523,CCCOc1ccc(OF)c(CN2CCN(c3ccc(Cl)cc3)CC2C(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15763466
15524,CCCOc1ccc(ON(C)S(C)(=O)=O)c(NCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06629296
15525,CCCOc1ccc(ON2C=CN(C(=O)OC)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08648748
15526,CCCOc1ccc(ON2CC=C(C(=O)O)CC2)c(SCCCc2ccc3c(c2)NC(=O)CCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26256028
15527,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(COc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4403196
15528,CCCOc1ccc(OS(C)(=O)=O)c(-n2ccc(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.079766475
15529,CCCOc1ccc(OS(N)(=O)=O)c(CCC2CC(=O)c3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20951438
15530,CCNC(=O)Nc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.30459282
15531,CCOc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78894025
15532,CCc1cc2c(cc1-c1cccnc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54611397
15533,CCc1cc2c(cc1O)C1Cc3cccc(N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64917403
15534,COC(=O)NCc1ccc(-c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45699948
15535,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3cc(O)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.682596
15536,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccc(N(C)C)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4376056
15537,COCCCN1CCN(Cc2cccc(-c3ccc4c(c3)-c3ccccc3CC4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67471606
15538,CON1CCN(CCNC(=O)c2ccc(C)c(-c3ccc(C)cc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.16181098
15539,COc1cc2c(cc1C=Nc1cccc(Cl)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58495164
15540,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccnc4ccccc34)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61136293
15541,COc1cc2c(cc1O)CCN1Cc3c(cccc3NC(=O)OCc3ccc(F)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.28337845
15542,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccn(C)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71649545
15543,COc1cc2c(cc1OC)C1Cc3cccc(C(C)OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79721034
15544,COc1ccc(CC(C)c2cc(OCCS(C)(=O)=O)ccc2OC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.05626867
15545,COc1ccc(OCCC(C)=O)cc1N1CCC(CC(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27633476
15546,COc1ccc(OCCC(C)C)cc1N1CCC(C(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24864839
15547,COc1ccc(OCCC(F)CCc2ccc3c(c2)NC(=O)CC3)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.20089634
15548,COc1ccc(OCCC(F)Cc2ccc(OC3CCCCN3)cc2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13395815
15549,COc1ccc(OCCC2CCN(C(=O)c3ccccc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07522702
15550,COc1ccc(OCCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.70345163
15551,COc1ccc(OCCN2CCC(c3cccc(OCC(F)(F)F)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6753147
15552,COc1ccc(OCCN2CCN(Cc3cccc(SC)c3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5461321
15553,COc1ccc(OCCNCc2cc3ccccc3o2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.19345382
15554,COc1ccc(OCCSC)cc1NC(=O)COc1cccc(C2CCNCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.049506705
15555,COc1cccc(CN2CCN(CCCCc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.8207569
15556,COc1cccc(CN2CCN(CCCN3CSN(c4cccc(Cl)c4)C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5732647
15557,COc1cccc(CN2CCN(CCCc3cccc(NC(=O)Nc4ccccc4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.31839147
15558,COc1cccc2c1CN1CCc3cc(O)c(Br)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72903514
15559,COc1ccccc1CN1CCC(OOc2ccc(OCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.55357796
15560,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccnc(O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7859454
15561,COc1ccccc1N1CCN(CCN2CCC(NC(=O)N(C)c3ccccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8087626
15562,Cc1cc(OCCC(=O)COc2ccc3c(c2)NCC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1300804
15563,Cc1cc(OCCF)ccc1ON1CCN(Cc2cc3ccccc3o2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5810868
15564,Cc1cc(OCCN2CC=C(c3c[nH]c4ccc(F)cc34)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.47502655
15565,Cc1cc(OCCN2CCC(Cc3ccc4ccccc4c3)CC2)ccc1OOS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.6034445
15566,Cc1cc(OCCN2CCC(c3ccccn3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.73641163
15567,Cc1cc(OCCNC(=O)COc2ccccc2)ccc1ON1CCNC1,[*]CCOc1ccc(O[*])c([*])c1,0.04425192
15568,Cc1cc(OCCNC(=O)c2ccc(C(C)C)cc2)ccc1OCN1CCNC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.084889054
15569,Cc1cc(OCCNS(=O)(=O)Cc2ccc(Cl)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07595876
15570,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCCC(Cc2ccc(OC3CCCCC3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.19696313
15571,Cc1cccc(CN2CCN(CCCC3CC(=O)c4ccccc4C3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64873236
15572,FC(F)(F)CCCN1CCN(Cc2cccc(-c3ccccc3-c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62637603
15573,O=[N+]([O-])c1ccccc1N1CCN(CCN2CCC(Oc3ccc4ccc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5138598
15574,Oc1cccc2c1CN1CCc3cc(-c4c(O)ccc5ccccc45)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6403544
15575,CC(=O)Cc1ccc2c(c1)C(CCOc1ccc(ONS(C)(=O)=O)c(C)c1)C(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.121462956
15576,CC(=O)N1CCN(CCOc2ccc(ONS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.16999343
15577,CC(=O)NCC(=O)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5094209
15578,CC(O)c1ccccc1N1CCN(CCN2CCC(c3ncc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6837456
15579,CC1CCN(CCN2CCN(c3ccccc3-c3cc(-c4ccccc4)cnn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7399018
15580,CCCOc1ccc(OF)c(N2CCC(Oc3ccccc3CC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2733174
15581,CCCOc1ccc(ON2CCN(c3ccccc3OCCF)CC2)c(S(=O)(=O)O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3093191
15582,CCCOc1ccc(OOC)c(NC(=O)CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14511934
15583,CCCOc1ccc(OOS(C)(=O)=O)c(NC(=O)Cc2ccc3c(c2)N(CC)C(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.076049745
15584,CCCOc1ccc(OS(C)(=O)=O)c(Oc2c(CC)ccc3cc(C(C)C)ccc23)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07351904
15585,CCCOc1ccc(OS(N)(=O)=O)c(N2CCc3ccc(OCC(C)=O)cc3CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23849803
15586,CCOCCCN1CCN(Cc2cccc(-c3ccc(F)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58726037
15587,CCOCCCN1CCN(Cc2cccc(C(=O)c3ccccc3OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.42930576
15588,CCOc1ccc(C2CCN(c3cc(OCCSC)ccc3OC)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.31648666
15589,CCOc1ccccc1N1CCN(CCN2CCC(Oc3ccc4nc(O)cnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66439724
15590,CN(C)c1ccc(COc2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6552298
15591,CNOc1ccc(OCCN2CCC(c3ccccc3OC3CC3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.553393
15592,COCCCN1CCN(Cc2cccc(-c3ccc(N4CCCCC4=O)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.40681854
15593,COCCOc1ccc(ON2CCN(C(C)c3ccccc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.245892
15594,COCCOc1ccc(ON2CCN(c3ccccc3OC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3165913
15595,COOc1ccc(OCCc2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.09992133
15596,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2785389
15597,COc1cc2c(cc1CO)CCN1Cc3c(cccc3OCc3ccc(C#N)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6909528
15598,COc1cc2c(cc1O)CCN1Cc3c(Cc4cc(C#N)c5ccccc5c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70004904
15599,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(O)OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76186156
15600,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(OC(C)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4335433
15601,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1C=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.23428936
15602,COc1ccc(OCCCCCc2cccs2)cc1C(=O)Nc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.024405658
15603,COc1ccc(OCCN=S(C)(=O)O)cc1CNCCC1CCCCc2ccccc2O1,[*]CCOc1ccc(O[*])c([*])c1,0.20639034
15604,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCC(COc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2620295
15605,COc1ccc(OCCN=S(C)(=O)O)cc1OC1CCCc2ccc(CC3CCCCC3)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.21614368
15606,COc1ccc(OCCNC(=O)c2ccc(SC)cc2)cc1N=C[SH](C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.018383274
15607,COc1ccc(OCCNC=O)cc1CCNC(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.051436327
15608,COc1ccc(OCCNCc2ccccc2)cc1S(=O)(=O)C=Cc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.27195176
15609,COc1ccc(OCCS(=O)(=O)c2ccccc2CC(C)c2ccccc2)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07672636
15610,COc1ccc(OCCS(C)(=O)=NO)cc1NCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.06325571
15611,COc1ccc(OCCSC)cc1NC(=O)COc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.007828614
15612,COc1ccc(OCCSC)cc1NC(=O)Cc1ccc(OC2CCCCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.021274218
15613,COc1cccc(CN2CCN(CCCCc3cccc4oc(=O)ccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5525757
15614,COc1cccc2c1CN1CCc3cc(CN(C)C(=O)c4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4844681
15615,COc1cccc2c1CN1CCc3cc(NC(C)(C)C)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6477837
15616,COc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccccc4O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8388143
15617,CS(=O)(=O)NOc1ccc(OCCF)cc1CNCCc1cccc2c1CCC2,[*]CCOc1ccc(O[*])c([*])c1,0.15335965
15618,Cc1cc(OCCCc2ccccc2)ccc1ON1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.2410154
15619,Cc1cc(OCCN2CCC(Oc3cccc(C(F)(F)F)c3)CC2)ccc1ON=S(=O)(O)O,[*]CCOc1ccc(O[*])c([*])c1,0.52420485
15620,Cc1cc(OCCN2CCCC(Cc3ccc(F)cc3)C2)ccc1O[SH]=O,[*]CCOc1ccc(O[*])c([*])c1,0.42654422
15621,Cc1cc(OCCN2CCN(Cc3ccccc3F)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.36435565
15622,Cc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57016873
15623,Clc1cccc(CN2CCN(CCCc3c[nH]c4ccccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.75301
15624,FC(F)(F)Oc1ccccc1N1CCN(CCN2CCC(c3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8721968
15625,N#CCCc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7303994
15626,O=C(Cc1ccccc1)Nc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.32582527
15627,O=C1N(c2cccc(CN3CCN(CCCCl)CC3)c2)c2ccccc2S1(=O)=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6520397
15628,O=c1[nH]c2ccccc2n1-c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6624318
15629,C=CC1Cc2ccccc2N1CCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.722482
15630,CC(C)Oc1ccccc1N1CCN(CCN2CCC(n3c(O)nc4cc(F)ccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83760655
15631,CC(C)c1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccc(F)cc4)ccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71648794
15632,CC1CCN(CCN2CCN(c3ccccc3-c3ncc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80243456
15633,CCCOc1ccc(ON2CCN(C)CC2)c(-c2ccc(C(C)=O)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20447388
15634,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.212931
15635,CCCOc1ccc(OS(=O)(=O)N(C)C)c(N2CCC(COc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40357575
15636,CCCOc1ccc(OS(C)(=O)=O)c(NCCc2cccs2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08165513
15637,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(Oc3ccccc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25113177
15638,CCCOc1ccc(OSC)c(CN2CCN(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.56980133
15639,CCCOc1ccc(OSC)c(NCC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03265368
15640,CCOc1ccc(-c2cc(OCCS(C)(=O)=O)ccc2OC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.060681615
15641,CCOc1ccccc1C1=CCN(CCOc2ccc(OC)c(SC)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.57391703
15642,CCS(=O)(=O)c1cccc2c(CNc3cc(OCCS(C)(=O)=O)ccc3OC)csc12,[*]CCOc1ccc(O[*])c([*])c1,0.089165345
15643,CNC(=O)c1cccc(N2CCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)CC2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28120694
15644,COC(=O)c1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.500784
15645,COC1CCN(CCN2CCN(c3ccccc3-n3cc(F)cnc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5699221
15646,COC1CCN(CCN2CCN(c3ccccc3S(=O)(=O)c3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6711442
15647,COCCCN1CCN(Cc2cccc(C(=O)NC3CCCCC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.429607
15648,COCCCN1CCN(Cc2cccc(CN3C(=O)c4ccccc4S3(=O)=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5599081
15649,COCCOc1ccc(OC)c(N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.72390133
15650,COCCOc1ccc(OC)c(OCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15411387
15651,COc1c(C(=O)NCCCCN2CCN(Cc3cccc(Cl)c3)CC2)ccc2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5885153
15652,COc1cc2c(cc1C(=O)O)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45849505
15653,COc1cc2c(cc1C)CCN1Cc3c(cccc3OOCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7353039
15654,COc1cc2c(cc1Cc1ccccc1NC1CCCCC1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40613964
15655,COc1cc2c(cc1NC(=O)OCc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3541164
15656,COc1cc2c(cc1OC)C1Cc3cccc(OCc4ccc[nH]4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74526197
15657,COc1cc2c(cc1OCc1ccc(CO)cc1)C1Cc3cccc(-c4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.514503
15658,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(NC(C)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.26557276
15659,COc1ccc(C(=O)NCCN2CCN(O)CC2)cc1-c1cccc(Cl)c1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30781654
15660,COc1ccc(C(=O)NCCN2CCN([N+](=O)[O-])CC2)cc1-c1ccccc1[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29224107
15661,COc1ccc(OCCCC(=O)c2ccc(F)cc2)cc1C(=O)N1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.11004818
15662,COc1ccc(OCCCCc2ccccc2)cc1OS(=O)(=O)C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.051710844
15663,COc1ccc(OCCCN2CCC(c3ccccc3OC3CCCC3)C2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.69846827
15664,COc1ccc(OCCN2CCCC(c3ccccc3OC)C2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.48065373
15665,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCC(Oc2ccc(C)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.14743917
15666,COc1ccc(OCCNC=O)cc1N1CCC(O)(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.319287
15667,COc1ccc(OCCSC)cc1N1CCC(C(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23826791
15668,COc1ccc(OCCSC)cc1N1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.3965977
15669,COc1cccc2c1CN1CCc3cc(C(=O)CCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50268614
15670,COc1ccccc1C(=O)Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.40159985
15671,CS(=O)(=O)c1cc(OCCF)ccc1ON1CCN(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25445583
15672,CSOc1ccc(OCCNC(=O)COc2cccc(N3CCNC3)c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.055307046
15673,Cc1cc(OCCC=Cc2ccccc2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.1384289
15674,Cc1cc(OCCN2CCC(OCc3ccccc3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6105771
15675,Cc1cc(OCCN2CCOC(CCc3ccccc3)C2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.33648998
15676,Cc1cc(OCCNCCc2ccccc2)ccc1OS(=O)(=O)N=O,[*]CCOc1ccc(O[*])c([*])c1,0.16889687
15677,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(Cc2ccccc2OC2CCCCC2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22391152
15678,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccnc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6491953
15679,Clc1ccccc1N1CCN(CCN2CCC(c3cn4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82028484
15680,O=C(c1ccccc1)N1C(=O)c2ccccc2C1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5274212
15681,O=[N+]([O-])c1ccccc1N1CCN(CCN2CCC(c3cccc(F)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.591878
15682,OCc1cc2c(cc1-c1cccc(OC(F)(F)F)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49395624
15683,C#Cc1cccc(-c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6389699
15684,CC(=O)NOc1ccc(OCCC=Cc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.026730765
15685,CC(=O)c1ccc(CCOc2ccc(ON=S(C)(=O)O)c(C)c2)s1,[*]CCOc1ccc(O[*])c([*])c1,0.018400548
15686,CC(C)Oc1ccccc1N1CCN(CCN2CCC(n3cc(C(F)(F)F)nc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81542283
15687,CC1(C(=O)NCCCCN2CCN(Cc3cccc(Cl)c3)CC2)Cc2ccccc2NC1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5502748
15688,CC1CCN(CCN2CCN(c3ccccc3Cc3ccc(-c4ccccc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7048337
15689,CCC(=O)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59007084
15690,CCCCNCCOc1ccc(OC)c(NS(=O)(=O)c2ccc(Cl)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14961122
15691,CCCOC(=O)c1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.591611
15692,CCCOc1ccc(OC)c(CN2CCC(S(=O)(=O)c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4865723
15693,CCCOc1ccc(OCCOc2ccccc2C)c(CNCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13058393
15694,CCCOc1ccc(ON2CCN(C(CCC)c3ccccc3)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3074321
15695,CCCOc1ccc(OOC)c(CN2CCN(c3ccccc3Cl)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.87951815
15696,CCCOc1ccc(OOC=O)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.091728635
15697,CCCOc1ccc(OS(C)(=O)=O)c(CC(=O)Nc2ccc(C(F)(F)F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0061109792
15698,CCCOc1ccc(OS(C)(=O)=O)c(NC2CCc3ccc(OCC4CCCC4)cc3C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27884912
15699,CCOOc1ccc(OCCN2CCC(c3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.64128786
15700,CCOc1ccccc1N1CCN(Cc2cc(OCCOC)ccc2OCNC(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.68576545
15701,CNC(=O)CCOc1ccc(OC)c(NCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.018322822
15702,CNOc1ccc(OCCN2CCCC(c3ccccc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.46000895
15703,CNOc1ccc(OCCNCCc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.16628036
15704,COCCCN1CCN(Cc2cccc(Cc3cncs3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5422099
15705,COCCOc1ccc(OC)c(N2CCN(CCc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8527456
15706,COCc1cc(-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc2ccccc12,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6581146
15707,COOc1ccc(OCCCN2CCCN(c3ccccc3OC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.7944108
15708,COc1cc2c(cc1C(=O)OCc1ccc(C(F)(F)F)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39674935
15709,COc1cc2c(cc1Cc1ccc(C)cc1)CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54513526
15710,COc1cc2c(cc1Cl)CCN1Cc3c(cccc3Oc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6486054
15711,COc1cc2c(cc1O)C1Cc3cccc(S(=O)(=O)c4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.521415
15712,COc1cc2c(cc1OC)C1Cc3cccc(CS(=O)(=O)c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.669965
15713,COc1ccc(COc2cc3c(cc2O)CCN2Cc4c(cccc4OCc4ccccc4)CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6425285
15714,COc1ccc(COc2cccc3c2CN2CCc4cc(OC)c(OCc5cccc(OC)c5)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6426892
15715,COc1ccc(OCCCCCc2ccc(F)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.11651604
15716,COc1ccc(OCCN2CCC(c3ccc(F)cc3)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.643892
15717,COc1ccc(OCCN2CCCC(Cc3ccccc3)C2)cc1C(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.36290357
15718,COc1ccc(OCCN=S(C)(=O)O)cc1CCCc1coc2ccccc12,[*]CCOc1ccc(O[*])c([*])c1,0.06626602
15719,COc1ccc(OCCNCCc2ccc(F)cc2)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1469059
15720,COc1ccc(OCCOS(C)(=O)=O)cc1NCCc1ccccn1,[*]CCOc1ccc(O[*])c([*])c1,0.07710327
15721,COc1ccc(OCCS(C)(=O)=O)cc1OCCc1cccs1,[*]CCOc1ccc(O[*])c([*])c1,0.102262326
15722,COc1cccc2c1CN1CCc3cc(C(=O)NOCc4cccc(F)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42246985
15723,COc1cccc2c1CN1CCc3cc(C)c(-c4ccccc4C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68128103
15724,COc1ccccc1N1CCN(CCN2CCC(c3cc4nc(Cl)ccc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87808836
15725,COc1ccccc1N1CCN(CCN2CCC(c3csnc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.786597
15726,CS(=O)(=O)NOc1ccc(OCCF)cc1CCN1CCC(Cc2ccc3ccccc3c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6997067
15727,CSOc1ccc(OCCNCCc2ccc3c(c2)NC(=O)CCC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.19503151
15728,Cc1cc(OCCN2CCC(c3ccc(OC4CCC(=O)CC4)cc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.51157725
15729,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCN(c2ccccc2)C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.1381169
15730,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCCC(Cc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2290346
15731,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21722643
15732,Cc1cc2c(cc1O)CCN1Cc3c(Cc4ccccc4C#N)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61719704
15733,Cc1ccccc1CC1CCN(CCOc2ccc(ON)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6477601
15734,Cc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.647432
15735,FC(F)(F)Oc1ccccc1N1CCN(CCN2CCC(n3ccc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8647278
15736,Fc1ccc(CCCN2CCN(Cc3cccc(Cl)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.76890427
15737,O=C1NCCc2c(Oc3cccc(CN4CCN(CCCCl)CC4)c3)cccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57985485
15738,OCCCCN1CCN(Cc2cccc(-c3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7147643
15739,Oc1ccc(Br)c(C2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78254676
15740,Oc1nc2cc(F)ccc2n1-c1ccccc1N1CCN(CCN2CCC(O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.695814
15741,CC=NOc1cccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6059056
15742,CCCCN1CCN(Cc2cccc(N3C(=O)CCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70243466
15743,CCCOc1ccc(ON)c(COc2ccccc2C(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11135195
15744,CCCOc1ccc(ON2CCC(c3ccccc3OC)CC2)c(C(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20233697
15745,CCCOc1ccc(ON2CCCN(c3ccccc3OCC)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32064834
15746,CCCOc1ccc(OOC)c(N2CCN(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.73984367
15747,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3ccc(OC4CCCC(=O)N4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31322217
15748,CCCOc1ccc(OS(C)(=O)=O)c(NC(C)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09239084
15749,CCCOc1ccc(OS(C)(=O)=O)c(NCC2CCc3ccc(C(C)=O)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26168764
15750,CCCOc1ccc(OS(N)(=O)=O)c(NC(=O)Cc2ccc3cccc(C)c3c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0055157216
15751,CCCOc1ccc(OS(N)(=O)=O)c(OCC2CCCc3ccc(S(C)(=O)=O)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24888419
15752,CCCOc1ccc(OSC)c(N2CCC(c3cccc(NC(C)=O)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16670771
15753,CCCOc1ccc(OSC)c(NS(=O)(=O)c2ccccc2OCCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10515618
15754,CCOc1cc(F)ccc1-c1cc(OCCOC)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.09255216
15755,CNS(=O)(=O)Oc1ccc(OCCNC(=O)c2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.024714446
15756,COC(=O)c1ccc2[nH]cc(Cc3cccc4c3CN3CCc5cc(OC)c(O)cc5C3C4)c2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5256427
15757,COC1CCN(CCN2CCN(c3ccccc3-c3c[nH]c4ncccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71915287
15758,COC1CCN(CCN2CCN(c3ccccc3-c3cn(-c4ccc(F)cc4)c4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71697277
15759,COC1CCN(CCN2CCN(c3ccccc3-c3noc4ccc(F)cc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7375375
15760,COCCCN1CCN(Cc2cccc(C(=O)N3CCC3c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.52480817
15761,COCCOc1ccc(OC)c(NC(=O)COc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.012506948
15762,CON1CCN(CCNC(=O)c2ccc(O)c(-c3ccccc3O)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.40326145
15763,COOc1ccc(OCCN2CCCC(Cc3ccccc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.4884955
15764,COOc1ccc(OCCNC(=O)c2ccc(C)c(Cl)c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.038768537
15765,COc1cc2c(cc1O)C1Cc3cccc([N+]C(=O)Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.516048
15766,COc1cc2c(cc1O)CCN1Cc3c(Cc4cccc(C=O)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6498782
15767,COc1ccc(OCCF)cc1NS(=O)(=O)c1cc(C(C)C)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.048613276
15768,COc1ccc(OCCN2CCN(CCc3ccccc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.6217919
15769,COc1ccc(OCCNC(=O)C=O)cc1N1CCC(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21283418
15770,COc1ccc(OCCNCc2ccccc2)cc1S(=O)C1CCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.2509999
15771,COc1ccc(OCCNS(C)(=O)=O)cc1C1CCC(Cc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27709305
15772,COc1ccc(OCCOCC2CCCC2N)cc1NS(=O)(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.12995279
15773,COc1ccc(Oc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)nc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82060474
15774,COc1cccc(-c2cccc(CN3CCN(CCCCF)CC3)c2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6758645
15775,COc1cccc(CN2CCCC(NCCOc3ccc(OOS(C)(=O)=O)c(C)c3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28317627
15776,COc1cccc2c1CN1CCc3cc(Br)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72794586
15777,COc1cccc2c1CN1CCc3cc(C(C)=O)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45804286
15778,COc1ccccc1CN1CCN(CCOc2ccc(OSC)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6080695
15779,COc1ccccc1N1CCN(CCN2CCC(c3cn(Cc4ccccc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7632271
15780,COc1ccccc1NCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49687615
15781,CSc1ccc(C2CCCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.39353627
15782,CSc1ccccc1OCOc1ccc(OCCF)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.13583013
15783,Cc1cc(OCCC=Cc2ccccc2OC2CCNCC2)ccc1OS,[*]CCOc1ccc(O[*])c([*])c1,0.29752666
15784,Cc1cc(OCCCN2CCC(Oc3ccccc3)CC2)ccc1OBr,[*]CCOc1ccc(O[*])c([*])c1,0.66927546
15785,Cc1cc(OCCNC(=O)c2ccc(CCCF)cc2)ccc1ON1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.13206112
15786,Cc1cc(OCCNCCc2ccc3c(c2)CC(=O)CC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.16018187
15787,Cc1cc2c(cc1Cc1cccs1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60295683
15788,Cc1ccc(CC2CCN(CCOc3ccc(ON)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.46192408
15789,Cc1cccc(OCC(=O)NCCOc2ccc(ON3CC(C)NS(=O)(=O)C3)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04828545
15790,FC(F)(F)Oc1ccccc1N1CCN(CCN2CCC(c3ccon3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80814594
15791,FCCCN1CCN(Cc2cccc(CNc3nccs3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57703793
15792,Fc1cccc(CNC2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7904549
15793,O=C(c1cc(O)nc2ccccc12)C1CCN(CCN2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5031683
15794,O=S(O)(O)=Cc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56521165
15795,O=c1ccc2c(-c3cccc(CN4CCN(CCCF)CC4)c3)cccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.591103
15796,C#Cc1cccc2c1CN1CCc3cc(OC)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7414518
15797,CC(C)Oc1ccccc1N1CCN(CCN2CCC(n3ccc(C(F)(F)F)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.840275
15798,CC1CCN(CCN2CCN(c3ccccc3-c3ncc(-c4ccccc4)o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7205939
15799,CCCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.057705913
15800,CCCOc1ccc(OCl)c(CNc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10883064
15801,CCCOc1ccc(ON)c(CC2CCc3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4750471
15802,CCCOc1ccc(ON2CCN(c3ccccc3OC)CC2)c(C(=O)NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2518267
15803,CCCOc1ccc(ON=O)c(N2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31552723
15804,CCCOc1ccc(ON=S(C)(=O)O)c(CCCc2nc3ccccc3s2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0564187
15805,CCCOc1ccc(ONC)c(C2CCN(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5278434
15806,CCCOc1ccc(OS(=O)(=O)O)c(N2CCC(Oc3ccc(C)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17437565
15807,CCCOc1ccc(OS(C)(=O)=O)c(C2CCNCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2261731
15808,CCCOc1ccc(OS(C)(=O)=O)c(CCOc2ccccc2CC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13652664
15809,CCCOc1ccc(OS(N)(=O)=O)c(NC(=O)CCc2ccccn2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0082318615
15810,CCN1CCN(CCOc2ccc(OC)c(S(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31692785
15811,CCOCCOc1ccc(OC)c(CN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.84382325
15812,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7038444
15813,COC1CCN(CCN2CCN(c3ccccc3NS(=O)(=O)c3cccc(Cl)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5917542
15814,COCCCN1CCN(Cc2cccc(-c3cccc(C=Cc4ccccc4)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.508093
15815,COCCCN1CCN(Cc2cccc(CN3C(=O)c4ccccc4C3(C)C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5516571
15816,COCCCN1CCN(Cc2cccc(NC(=O)c3cc(C)ccc3C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.2760245
15817,COc1cc2c(cc1C(=O)c1ccc3cccc(CO)c3c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4959891
15818,COc1cc2c(cc1C1CCCC1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6890297
15819,COc1cc2c(cc1CO)C1Cc3cccc(-c4ccc5ncccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5276581
15820,COc1cc2c(cc1Cl)C1Cc3cccc(C#N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.80018824
15821,COc1cc2c(cc1O)C1Cc3cccc(-c4ccccc4[N+](=O)[O-])c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51047593
15822,COc1cc2c(cc1O)C1Cc3cccc([N+](=O)OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71600777
15823,COc1cc2c(cc1OC)C1Cc3cccc(Cn4ccc(C=O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6805998
15824,COc1ccc(C(=O)NCCN2CCN(C=O)CC2)cc1-c1ccccc1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.40882638
15825,COc1ccc(C(=O)c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1OC,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7026678
15826,COc1ccc(OCCCc2ccc(S(C)(=O)=O)cc2)cc1N1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.2649082
15827,COc1ccc(OCCF)cc1S(=O)(=O)Nc1cccc(C(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0642625
15828,COc1ccc(OCCN2CCN(Cc3ccccc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.6659055
15829,COc1ccc(OCCN=S(=O)(O)O)cc1N1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22907907
15830,COc1ccc(OCCN=S(C)(=O)O)cc1N1C=CC(=O)CC1c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.11447096
15831,COc1ccc(OCCNC(=O)Cc2cccs2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.012543123
15832,COc1ccc(OCCNC(C)=O)cc1CC(=O)c1ccc(SC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.021448849
15833,COc1ccc(OCCNCc2cccc3ccccc23)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.1775623
15834,COc1ccc(OCCNS(C)(=O)=O)cc1N1C(=O)CCc2ccc(CC3CCCCC3)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.186745
15835,COc1ccc(OCCSC)cc1N1CCC(c2ccccc2)C(CO)C1,[*]CCOc1ccc(O[*])c([*])c1,0.40875626
15836,COc1ccc(OCCSC)cc1NC(=O)COc1cccc(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.006626789
15837,COc1cccc(-c2cc(C(=O)NCCN3CCN(F)CC3)ccc2F)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.34213135
15838,COc1cccc(CN2CCN(CCCc3cc4ccccc4c(=O)s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6275447
15839,COc1cccc(OC)c1-c1cc2c(cc1O)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71244293
15840,COc1cccc2c1CN1CCc3cc(C(=O)OCc4ccco4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47833177
15841,COc1ccccc1N1CCN(CCN2CCC(c3cncn3Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8031675
15842,COc1ccccc1N1CCN(CCN2CCC(n3cc(C(F)(F)F)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7887267
15843,Cc1cc(OCCN=S(C)(=O)O)ccc1OCN1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3471127
15844,Cc1cc(OCCNCc2ccc(OC3CCCCC3)cc2)ccc1OOS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.1769684
15845,Cc1cc(OCCNCc2cccs2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.09316241
15846,Cc1ccccc1N1CCN(CCN2CCC(O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.660021
15847,Clc1cccc(CN2CCN(CCCc3cc(-c4ccccc4)co3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63682353
15848,N#Cc1ccc(CNC(=O)c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72692984
15849,O=C(Oc1cccc(F)c1)c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5079946
15850,O=C1C=C(c2cccc(CN3CCN(CCCF)CC3)c2)O1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.71868527
15851,O=C1CC(=O)N(c2cccc(CN3CCN(CCCF)CC3)c2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6739185
15852,Oc1cc2c(cc1F)C1Cc3cccc(Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70031667
15853,Oc1ccc2c(OC3CCN(CCN4CCN(c5ccccc5O)CC4)CC3)cccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7799925
15854,C=Cc1cccc2c1CN1CCc3cc(OC)c(OCc4ccc(OC)cc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66391623
15855,C=Cc1ccccc1OC1CCN(CCOc2ccc(OC)c(S(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5681797
15856,C=N[N+](CO)c1cccc(Cc2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62797767
15857,CC(C)c1ccccc1N1CCN(CCN2CCC(c3ccc(Br)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6784745
15858,CCCOc1ccc(OCCCc2ccccc2)c(NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.047303822
15859,CCCOc1ccc(ONS(C)(=O)=O)c(NC(=O)CCc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07878598
15860,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCCC(CCc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31368673
15861,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)CCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.006438582
15862,CCONOc1ccc(OCCN2CCN(c3ccccc3OC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.79544085
15863,CCOc1ccccc1C1CCN(CCCOc2ccc(OC)c(CS(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6623106
15864,CCc1ccc(S(=O)(=O)NCCOc2ccc(OSC)c(C)c2)cc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.070103735
15865,CNS(=O)(=O)c1cc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.5282601
15866,COCCOc1ccc(OC)c(N2CCC(CNc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3035769
15867,COCCOc1ccc(OCN2CCN(Cc3ccco3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3254434
15868,CON1CCN(CCNC(=O)c2ccc(NC(C)=O)c(-c3cccc(C)c3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.15429164
15869,COOc1ccc(OCCCS(=O)(=O)c2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.054196075
15870,COc1cc2c(cc1OCc1ccc(CO)cc1)C1Cc3cccc(C(C)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44056088
15871,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(Cc4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5749742
15872,COc1ccc(OCCC(F)CCc2ccccc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10741182
15873,COc1ccc(OCCF)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.0664142
15874,COc1ccc(OCCN2CCC(Cc3ccc(F)cc3)CC2)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.59410733
15875,COc1ccc(OCCN2CCC(Nc3ccc(F)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5338543
15876,COc1ccc(OCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.82955897
15877,COc1ccc(OCCNC(=O)Cc2cccs2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.026712291
15878,COc1ccc(OCCNC(C)=O)cc1N1C(=O)CC(=O)C12CCCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.04606019
15879,COc1ccc(OCCNS(C)(=O)=O)cc1CC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.33600172
15880,COc1ccc(OCCNS(C)(=O)=O)cc1NC(=O)c1ccc(SC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.024770292
15881,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(Cc2ccc(OC3CCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22964911
15882,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(Oc2ccc3c(c2)NC(=O)CC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.44299498
15883,COc1ccc(OCC[SH](C)(N)=O)cc1N1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.2919541
15884,COc1cccc2c1CS(=O)(=O)N2c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5860738
15885,COc1ccccc1-c1cc(C(=O)NCCN2CCN(N(C)C)CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35406494
15886,COc1ccccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1OS(C)(=O)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.34313142
15887,COc1ccccc1N1CCN(CCN2CCC(COc3ccc(N)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.88423216
15888,COc1ccccc1N1CCN(CCN2CCC(Cn3cc(-c4ccc(F)cc4)c4ccc(C)nc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7167498
15889,COc1ccccc1N1CCN(CCN2CCC(N(C(C)=O)c3ccccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85315657
15890,COc1cccnc1-c1ccccc1N1CCN(CCN2CCC(C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82245696
15891,Cc1cc(OCCC(=O)COc2ccc3c(c2)NC(=O)CC3)ccc1ON1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20935243
15892,Cc1cc(OCCN2CCC(CCc3ccc(F)cc3)CC2)ccc1O[SH](C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.53536445
15893,Cc1cc(OCCN=[SH](C)(C)O)ccc1ONCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.08806716
15894,Cc1ccc(C(=O)NCCN2CCN([N+](=O)[O-])CC2)cc1-c1cccc(Cl)c1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.17556927
15895,Cc1cccc(OCC(=O)NCCOc2ccc(ON3CCNCC3)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.043672297
15896,Cc1ccccc1N1CCN(CCN2CCC(COc3ccc(C(F)(F)F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6982101
15897,Clc1ccccc1N1CCN(CCN2CCC(c3ncc(-c4ccccc4)n3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7482523
15898,FCCOCCCN1CCN(Cc2cccc(-c3cccc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61102605
15899,N#CCc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7024769
15900,Nc1cccc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76964796
15901,O=C(NCCCCN1CCN(Cc2cccc(Cl)c2)CC1)C1Cc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7107714
15902,O=C(NCc1cccc(CN2CCN(CCCCl)CC2)c1)c1cccc2c1-c1ccccc1C2,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5409193
15903,O=C(NCc1cccc(CN2CCN(CCCO)CC2)c1)c1cc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4831994
15904,O=[N+]([O-])c1ccccc1N1CCN(CCN2CCC(c3cc4ccccn4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5687252
15905,O=c1[nH]c(-c2ccccc2)cn1-c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65695757
15906,Oc1cc2c(cc1C#Cc1ccccc1)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6755443
15907,CC(=O)NOc1ccc(OCCF)cc1C(=O)NCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.032460913
15908,CC(=O)c1ccccc1OCC(=O)NCCOc1ccc(OS(N)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.018643929
15909,CCC(=O)C1CCCN(CCOc2ccc(OC)c(S(C)(=O)=O)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.30594277
15910,CCCCn1cc(C)c(-c2cc(OCCF)ccc2OOC)n1,[*]CCOc1ccc(O[*])c([*])c1,0.08496121
15911,CCCOc1ccc(OC(=O)N=S(C)(=O)O)c(NCC2CCc3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21637611
15912,CCCOc1ccc(OC(C)=O)c(CCOc2cccc(F)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.038521573
15913,CCCOc1ccc(OC)c(S(=O)(=O)c2ccc(C(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.056150813
15914,CCCOc1ccc(OCN2CCN(CC(C)Oc3ccc(F)cc3)CC2)c(C(=O)OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16586225
15915,CCCOc1ccc(ONS(C)(=O)=O)c(C(=O)CCc2ccc3c(c2)COCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12650856
15916,CCCOc1ccc(OOC)c(N2CCC(c3ccccc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2960348
15917,CCCOc1ccc(OOS(=O)(=O)C(F)(F)F)c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23814067
15918,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCCC(Cc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21412385
15919,CCCOc1ccc(OSC)c(NC(=O)COc2cccc(F)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.007911088
15920,CCCOc1ccc(Oc2ccc(F)cc2)c(C(=O)Nc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.02918936
15921,CCc1cccc2c1CN1CCc3cc(O)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7573942
15922,CNc1ccc(COC(=O)c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40234405
15923,COC1CCN(CCN2CCN(c3ccccc3-c3cc(-c4ccc(Cl)cc4)ncn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78824484
15924,COC1CCN(CCN2CCN(c3ccccc3-n3cc(-c4ccccc4)nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.735316
15925,COCCCN1CCN(Cc2cccc(CNC(=O)C3(C)Cc4ccccc4C3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56234574
15926,CON=Cc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77533114
15927,COc1cc2c(cc1C#Cc1ccc[nH]1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63616776
15928,COc1cc2c(cc1O)C1Cc3cccc(-c4cc[nH]c4CO)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6046123
15929,COc1cc2c(cc1O)C1Cc3cccc(-c4cccc(CNC(C)(C)C)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56519413
15930,COc1cc2c(cc1O)CCN1Cc3c(COCc4cccc(C(F)(F)F)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7751917
15931,COc1cc2c(cc1OC)C1Cc3cccc(CCOCc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7585705
15932,COc1ccc(C(=O)NCCN2CCN(O)CC2)cc1-c1ccccc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.40101445
15933,COc1ccc(NC(=O)c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36352235
15934,COc1ccc(OCCC(Nc2cccc(C(C)=O)c2)C(C)=O)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.02763286
15935,COc1ccc(OCCCSc2ccc(C(C)C)cc2)cc1NS(=O)(=O)c1ccc(SC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06934926
15936,COc1ccc(OCCF)cc1C(=O)NS(=O)(=O)c1ccccc1C,[*]CCOc1ccc(O[*])c([*])c1,0.03784131
15937,COc1ccc(OCCN2CCC(NC(=O)c3cccc(F)c3F)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.48890567
15938,COc1ccc(OCCN2CCC(NC(C)=O)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5364281
15939,COc1ccc(OCCN2CCN(c3ccc(F)c(C(F)(F)F)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.7098528
15940,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCC(Cc2ccc(OC3CCCC3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.15560877
15941,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1CN(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.03281271
15942,COc1ccc(OCCNC(=O)c2ccc(F)c(NC(C)=O)c2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.02674937
15943,COc1ccc(OCCNCCc2cccs2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.18118484
15944,COc1ccc2c(c1)CC(CNOc1ccc(OCCN=S(C)(=O)O)cc1C)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.26292497
15945,COc1cccc(-c2cc3c(cc2OCc2ccccc2)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6221115
15946,COc1cccc(CN2CCN(CCCc3c(C(N)=O)ccc4ccccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4731948
15947,COc1ccccc1N1CCN(CCN2CCC(C(=O)Nc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6938468
15948,COc1ccccc1N1CCN(CCN2CCC(c3cc4ccccc4nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80600005
15949,COc1ccccc1N1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.7574261
15950,CSc1ccc(C(=O)C2CCN(COc3ccc(OCCNS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.26765397
15951,Cc1cc(OCCF)ccc1ONS(=O)(=O)c1cccc(C(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06973354
15952,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(Oc2ccc3c(c2)NC(=O)CCC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3695649
15953,Cc1cc(OCCS(C)(=O)=O)ccc1OCCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.13404636
15954,Cc1cc2c(cc1C(=O)OCc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39011937
15955,Cc1ccccc1-c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.688058
15956,ClC1CCN(CCN2CCN(c3ccccc3-c3ncoc3-c3ccc(Br)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6875197
15957,Fc1ccc(SC2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7431774
15958,N#Cc1cccc(NC(=O)Nc2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3805713
15959,O=c1cc(-c2ccccc2)on1Cc1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67240036
15960,CC1CCN(CCN2CCN(c3ccccc3-c3cnc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70287335
15961,CCC(=O)NCc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40735155
15962,CCCCn1cc(Oc2ccc(OCCN3CCN(c4ccccc4OC)CC3)cc2C)nn1,[*]CCOc1ccc(O[*])c([*])c1,0.7872209
15963,CCCOc1ccc(OCn2cc(CCC)cn2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09996114
15964,CCCOc1ccc(OS(C)(=O)=O)c(CCC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04843603
15965,CCOC(=O)Cc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45610747
15966,CN=[SH](=O)Oc1ccc(OCCNCc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.24448468
15967,COCCCN1CCN(Cc2cccc(CNC(=O)C(C)(C)C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.40093365
15968,COCCOc1ccc(OC)c(CCCn2nc(CCF)cc2-c2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1776847
15969,COCCOc1ccc(OC)c(NCC(=O)c2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11443462
15970,COOc1ccc(OCCCCCc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.2521134
15971,COc1cc2c(cc1C(=O)Nc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34831655
15972,COc1cc2c(cc1O)C1Cc3cccc(OC(=O)Nc4cccc5ccc(C#N)cc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3145803
15973,COc1cc2c(cc1O)C1Cc3cccc(Oc4cccc(C(C)O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7699258
15974,COc1cc2c(cc1O)CCN1Cc3c(C=NOCc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7591938
15975,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc(N(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7379913
15976,COc1ccc(CNCc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6580127
15977,COc1ccc(OCCCN2CCC(Cc3ccc4ccccc4c3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6474807
15978,COc1ccc(OCCCN=S(C)(=O)O)cc1N1CCC(c2cc(C)on2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.15545554
15979,COc1ccc(OCCCl)cc1N1CCCC(Cc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.37328705
15980,COc1ccc(OCCN(C)C)cc1N1CCCN(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31784564
15981,COc1ccc(OCCN2CCCC(Cc3ccc4c(c3)CCCC(=O)N4)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4679323
15982,COc1ccc(OCCN=S(C)(=O)O)cc1NCCc1ccccc1OC1CCC1,[*]CCOc1ccc(O[*])c([*])c1,0.12766205
15983,COc1ccc(OCCNS(=O)(=O)c2ccc(F)cc2)cc1SCN1CCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.16237947
15984,COc1ccc(OCCNS(=O)(=O)c2cccc(C(C)C)c2)cc1N1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.20854652
15985,COc1ccc(OCCNS(C)(=O)=O)cc1NCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.20059194
15986,COc1ccc(OCCS(=O)(=O)O)cc1Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.05513012
15987,COc1ccc(OCCSC)cc1N1CCN(Cc2ccc3ccccc3c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.75627226
15988,COc1ccc(OCCc2ccc(C(C)C)cc2)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6894074
15989,COc1ccc2c(c1)CC(CNCOc1ccc(OCCF)cc1C)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.3552308
15990,COc1ccc2cc(C3CCN(Oc4ccc(OCCS(C)(=O)=O)cc4C)CC3)ccc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.17048219
15991,COc1cccc(C2CCCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.53385365
15992,COc1cccc(CN2CCN(CCCC3=Nc4ccccc4CC3Nc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.38434908
15993,COc1cccc(CN2CCN(CCCCOC(=O)N3CCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3714153
15994,COc1cccc(CN2CCN(CCCc3ccccc3N3C(=O)c4ccccc4C3C)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5651574
15995,COc1cccc(CNCc2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53887254
15996,COc1cccc2c1CN1CCc3cc(-c4cccc(C)c4)c(C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66447234
15997,COc1ccccc1C1CCN(Oc2ccc(OCCS(N)(=O)=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29573187
15998,COc1ccccc1N1CCN(CCN2CCC(c3nc(-c4ccccc4)no3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7877448
15999,COc1ccccc1N1CCN(Oc2ccc(OCCN)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.35461286
16000,CSc1cccc(OCCCCOc2ccc(OS(C)(=O)=O)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07281782
16001,Cc1cc(OCCCS(N)(=O)=O)ccc1ONCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.09673491
16002,Cc1cc(OCCN2CCC(Nc3cc(Br)ccc3C(=O)O)C2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.37320992
16003,Cc1cc(OCCO)ccc1ONC(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.026466813
16004,Cc1cc(OCCS(C)(=O)=O)ccc1Oc1cc(C2CCCCC2)no1,[*]CCOc1ccc(O[*])c([*])c1,0.0840016
16005,Cc1ccccc1-c1ccc(C(=O)NCCN2CCN(C)CC2)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.285709
16006,ClCCCN1CCN(Cc2cccc(N3SCCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7205499
16007,Fc1ccc(-c2ccccc2)nc1C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7871474
16008,N#Cc1ccccc1N1CCN(CCN2CCC(C(=O)Nc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.60155636
16009,O=C(Nc1cc(Cl)ccc1Cl)Oc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35111058
16010,O=C(Nc1cccc(Cl)c1)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.28673688
16011,O=C(O)NCc1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3877949
16012,O=C1CCc2ccccc2N1CCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.8403756
16013,OC=Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66453016
16014,Oc1cccc2c1CN1CCc3cc(Oc4cccc5ccccc45)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68188244
16015,CC(C)Oc1ccccc1N1CCN(CCN2CCC(CNc3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8112312
16016,CC1(C)CN(CCCN2CCN(Cc3cccc(F)c3)CC2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6176417
16017,CCCOc1ccc(OC)c(CNCC2CCc3cc(OC)c(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.46993908
16018,CCCOc1ccc(ON2CCC(c3ccc(F)cc3)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40827
16019,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCCC(Cc3ccc(OC4CCCCN4)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22295849
16020,CCCOc1ccc(ONS(C)(=O)=O)c(NC(=O)Cc2ccc(OC3CCCCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.031210518
16021,CCCOc1ccc(OOC)c(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24511965
16022,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCCC(Cc3ccc(OC4CCC(=O)NC4)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22165513
16023,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3ccc4c(c3)CCCC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39909944
16024,CCCOc1ccc(OS(C)(=O)=O)c(NCC(C)Cc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07233405
16025,CCN(C(C)=O)c1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45961845
16026,CCOc1cccc(-c2cccc3c2CN2CCc4cc(Cl)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4793399
16027,COC(=O)C1CCN(Cc2cc(OCCNC(C)c3ccc(Cl)cc3)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24735203
16028,COC(=O)c1cc(OCCCS(=O)(=O)Cc2ccc(F)cc2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.057251394
16029,COCCOc1ccc(OC)c(CCCc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30220777
16030,COCCOc1ccc(ONCCc2ccccc2OC)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.082495734
16031,CON1CCN(CCNC(=O)c2ccc(O)c(-c3cccc(Cl)c3Cl)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31844357
16032,COc1cc2c(cc1O)C1Cc3cccc(CNCc4ccc(F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6907691
16033,COc1cc2c(cc1O)CCN1Cc3c(C=Cc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.81193733
16034,COc1cc2c(cc1OC)C1Cc3cccc(OC(=O)NCc4ccc(C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.337415
16035,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccccc1C(C)C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33279327
16036,COc1ccc(COc2cc3c(cc2OC)C2Cc4cccc(OC(C)=O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4858804
16037,COc1ccc(OCCCSCc2ccc(F)cc2)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7189931
16038,COc1ccc(OCCF)cc1CS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.05242525
16039,COc1ccc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1OC(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.58519405
16040,COc1ccc(OCCN2CCN(c3ccccc3C(C)=O)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.584783
16041,COc1ccc(OCCN=S(C)(=O)O)cc1CCCc1ccc(C2CCNCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.14783257
16042,COc1ccc(OCCNS(C)(=O)=O)cc1CN1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5269466
16043,COc1ccc(OCCS(=O)(=O)N(C)C)cc1N1CCC(Oc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.33282658
16044,COc1ccc(OCCS(C)(=O)=O)cc1NS(=O)(=O)Cc1ccc(S(C)(=O)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.042630002
16045,COc1cccc(CN2CCN(CCCC3(O)CCCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66606796
16046,COc1cccc(CN2CCN(CCCc3cccc4cc(=O)oc(=O)c-4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5382567
16047,COc1cccc2c1CN1CCc3cc(-c4cc(CO)ccc4Br)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68469375
16048,COc1ccccc1C1CCN(CCN2CCN(c3ccccc3OCCF)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8553088
16049,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc4ccnn4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7503156
16050,COc1ccccc1N1CCN(CCN2CCC(c3ccc4ncc(-c5ccccc5)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81542677
16051,COc1ccccc1N1CCN(CCN2CCC(n3cc(C(=O)Nc4ccccc4)ccc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6347814
16052,COc1ccccc1N1CCN(Oc2ccc(OCCCF)cc2SC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.37325716
16053,Cc1cc(OCCC2CCN(Cc3ccc(F)cc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.49171525
16054,Cc1cc(OCCF)ccc1OCN1CCCC(NS(=O)(=O)c2cccc(F)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.34991077
16055,Cc1cc(OCCN(C)Cc2ccccc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.101901256
16056,Cc1cc(OCCN2CCCC(COc3ccc4c(c3)NC(=O)CC4)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.40492386
16057,Cc1cc(OCCN=S(C)(=O)c2ccc(F)cc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.031932503
16058,Cc1cc(OCCNS(C)(=O)=O)ccc1ONC(=O)Cc1ccc2c(c1)CCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.043576676
16059,Cc1cc(OCCS(C)(=O)=O)ccc1OCN1CCC(c2ccc(CC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3774697
16060,Cc1cccc(-c2cccc3c2CN2CCc4cc(O)c(C)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5854193
16061,Cc1ccccc1N1CCN(CCN2CCC(c3cc4ccccc4o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6966572
16062,O=C(c1cccc(CN2CCN(CCCCl)CC2)c1)c1ccc2c(c1)-c1ccccc1C2,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60408264
16063,O=C(c1ccccc1)N(CCCN1CCN(Cc2cccc(Cl)c2)CC1)C1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51629716
16064,O=C1CCc2c(O)cccc2N1c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6211497
16065,OCc1ccccc1N1CCN(CCN2CCC(c3ccc(F)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77973056
16066,Oc1cccc2c1CN1CCc3cc(Cc4c[nH]c5ccc(F)cc45)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70675987
16067,CC(=O)NCc1cc2c(cc1C)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3599337
16068,CC(=O)c1ccccc1N1CCN(CCN2CCC(C(=O)N(C)Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.63375187
16069,CC(C)c1ccccc1N1CCN(CCN2CCC(CNC(=O)c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7756472
16070,CC(C)c1ccccc1N1CCN(CCN2CCC(Nc3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7603646
16071,CCCOc1ccc(OC(=O)OC)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5802047
16072,CCCOc1ccc(OCCOc2ccccc2C(=O)C2CCNCC2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07719691
16073,CCCOc1ccc(OCNS(C)(=O)=O)c(Cc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10310108
16074,CCCOc1ccc(ON2CCC(c3noc4ccccc34)CC2)c(OC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14590131
16075,CCCOc1ccc(ON=S(C)(=O)O)c(C(CCc2ccc3c(c2)NC(=O)CC3)OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19289643
16076,CCCOc1ccc(ONS(C)(=O)=O)c(NC(=O)Cc2ccsc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.019069413
16077,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)CCc2ccc3c(c2)CC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06267921
16078,CCCc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7943448
16079,CCOC1CCN(CCN2CCN(c3ccccc3Oc3ccc(O)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6823731
16080,CCOCCCN1CCN(Cc2cccc(C3Cc4ccccc4CC3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6079887
16081,CCOc1ccccc1N1CCN(CCN2CCC(C(=O)c3cccc(OC)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78246236
16082,CN(C)c1cc2c(cc1C#N)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69507843
16083,CN1CCN(CCNC(=O)c2ccc(O)c(-c3ccccc3C#N)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.36053222
16084,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3cccc(O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5107721
16085,COCCCN1CCN(Cc2cccc(CNc3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.41784143
16086,COCCCN1CCN(Cc2cccc(COc3ccc4ccc(O)nc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53864884
16087,COCCOc1ccc(OC)c(N2CCCC(CCc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3813877
16088,COCCOc1ccc(ON2CCC(C(=O)c3ccccc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10378656
16089,COOc1ccc(OCCOc2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.121424615
16090,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1c(OC)ccc2ccccc12,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3180397
16091,COc1cc2c(cc1Cc1ccc(OCc3ccccc3)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64667135
16092,COc1cc2c(cc1Cl)CCN1Cc3c(cccc3-c3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6135649
16093,COc1cc2c(cc1O)C1Cc3cccc(C#Cc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8509171
16094,COc1cc2c(cc1O)C1Cc3cccc(C4(O)CCC(NOCc5ccc(C)cc5)C4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.550363
16095,COc1ccc(OCCC(F)CCc2ccc3c(c2)NC(=O)CC3)cc1C(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.11250834
16096,COc1ccc(OCCC(N)=O)cc1N1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2080218
16097,COc1ccc(OCCCN2CCC(C)=CS2)cc1-c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.3200183
16098,COc1ccc(OCCF)cc1NC(=O)C1CCN(Cc2ccc(SC)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20571302
16099,COc1ccc(OCCN2CCC(NC(=O)c3ccc(F)cc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.48345587
16100,COc1ccc(OCCN2CCCC(c3ccccc3)C2)cc1[SH](C)(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5158397
16101,COc1ccc(OCCNC(=O)Cc2ccc(C(C)C)cc2)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.012279289
16102,COc1ccc(OCCNCS(=O)(=O)[O-])cc1N1CCC(Cc2ccc3c(c2)CCCC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31915548
16103,COc1cccc(CN2CCN(CCCCNC(=O)c3cccs3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5850128
16104,COc1cccc2c1CN1CCc3cc(CO)c(CO)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59439063
16105,COc1ccccc1CC1CCN(CCOc2ccc(ONS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6007637
16106,COc1ccccc1Cc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.80612874
16107,COc1ccccc1N1CCN(CCN2CCC(c3cc(-c4cccc(F)c4)ccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8524631
16108,Cc1cc(OCCC(F)COc2ccc3c(c2)NC(=O)CC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.19929212
16109,Cc1cc(OCCCN2C(=O)c3ccccc3C2=O)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.059448116
16110,Cc1cc(OCCN2CCC(COc3ccccc3)CC2)ccc1OF,[*]CCOc1ccc(O[*])c([*])c1,0.603129
16111,Cc1cc(OCCN2CCC(Cc3ccccc3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.49165842
16112,Cc1cc(OCCN2CCC(Oc3ccc(CC4CCCCC4)cc3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4630502
16113,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)N(C)C(=O)CC3)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06189548
16114,Cc1cc(OCCNC2CCCCC2)ccc1ONCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.14955285
16115,Cc1ccccc1N1CCN(CCN2CCC(C(=O)Nc3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.52698475
16116,FCCCN1CCN(Cc2cccc(-c3cc(-c4ccccc4)co3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61503357
16117,Fc1ccc(C2CCN(CCN3CCN(c4ccccc4OC(F)(F)F)CC3)CC2)nc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75561196
16118,Fc1ccc(OCC2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8454193
16119,O=C(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1cccc(C#Cc2ccccc2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4697117
16120,O=C1CCc2ccc(Oc3ccccc3N3CCN(CCN4CCC(O)CC4)CC3)cc2N1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74380463
16121,OC1c2ccccc2CCC1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67240757
16122,Oc1cccc2c1CN1CCc3cc(CCF)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7411208
16123,C=S(O)(O)=Nc1cc(OCCN2CCC(Cc3ccccc3)CC2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.564193
16124,CC(C)(C)c1ccccc1N1CCN(CCN2CCC(c3ccc(O)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7735215
16125,CC1(C)c2ccccc2N(c2cccc(CN3CCN(CCCCl)CC3)c2)S1(=O)=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59591544
16126,CC1CCN(CCN2CCN(c3ccccc3-c3nc(O)cc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7081229
16127,CC1CCN(CCN2CCN(c3ccccc3C(=O)NC3CCCc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.63595176
16128,CC1CCN(CCN2CCN(c3ccccc3Cc3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7182952
16129,CCCOc1ccc(OC)c(CNC(=O)c2ccc(C(=O)NSC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.023384593
16130,CCCOc1ccc(OCl)c(N2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35843635
16131,CCCOc1ccc(ON2CCN(Cc3ccccc3OC)CC2)c(NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3665051
16132,CCCOc1ccc(ON=S(C)(=O)O)c(NC(C)COc2ccc3ccccc3c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08670229
16133,CCCOc1ccc(OOC)c(CC2C(=O)CCc3ccccc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2206585
16134,CCCOc1ccc(OS(C)(=O)=O)c(C(=O)CCc2ccc3c(c2)CC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1376217
16135,CCCOc1ccc(OS(C)(=O)=O)c(C(N)COc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17469971
16136,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(C3=C(Cc4ccccc4)CCC3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34616727
16137,CCCOc1ccc(OS(C)(=O)=O)c(NS(=O)(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.053829554
16138,CCCOc1ccc(OS(N)(=O)=O)c(N2CCCC(CCc3ccc4c(c3)NC(=O)CC4)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30197474
16139,CCOc1ccccc1N1CCN(CCN2CCC(Oc3ccc4c(c3)NC(=O)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78656036
16140,CCOc1ccccc1N1CCN(CCN2CCC(c3cccc(OC)c3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76822025
16141,CCOc1ccccc1N1CCN(CCOc2ccc(OC)c(SC)c2)C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.3197622
16142,CCOc1ccccc1NCCCOc1ccc(ON(C)C)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08443127
16143,COCCOc1ccc(ON2CCC(c3ccccc3OC3CC3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.442998
16144,COOc1ccc(OCCN2CCN(c3ccc(Cl)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6997273
16145,COc1cc2c(cc1CO)C1Cc3cccc(C=S(C)(=O)O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6125955
16146,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc5[nH]ccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65353376
16147,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)Nc4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3509896
16148,COc1ccc(OCCCN2CCC(Oc3ccc(C)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5109555
16149,COc1ccc(OCCN2CCC(c3ccc(F)c(F)c3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.74263704
16150,COc1ccc(OCCN2CCC(c3coc4cc(F)ccc34)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.6992555
16151,COc1ccc(OCCN2CCCCC2)cc1NS(=O)(=O)c1cccc(Cl)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33927462
16152,COc1ccc(OCCN=S(C)(=O)O)cc1C(=O)COc1ccc(CCCS)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.0962225
16153,COc1ccc(OCCN=S(C)(=O)O)cc1CCNC(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.018521907
16154,COc1ccc(OCCN=S(C)(=O)O)cc1NCCc1ccccc1OC1CCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.12673825
16155,COc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.021117099
16156,COc1ccc(OCCOS(C)(=O)=O)cc1N1CCC(Cc2ccc(OC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23381187
16157,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(C(=O)c2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.19567041
16158,COc1cccc(Cc2cc3c(cc2C)CCN2Cc4c(O)cccc4CC32)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5583251
16159,COc1cccc2c1CN1CCc3cc(CO)c(Oc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6700492
16160,COc1ccccc1N1CCN(CCN2CCC(C3Nc4ccccc4C(=O)N3c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7165971
16161,COc1ccccc1N1CCN(CCN2CCC(COc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8444017
16162,COc1ccccc1N1CCN(CCN2CCC(c3ccc(OCCF)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.90497196
16163,Cc1cc(OCCCSc2ccccc2C(C)C)ccc1ON1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.1700659
16164,Cc1cc(OCCN2CCC(C(=O)c3cc4ccccc4s3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.55516255
16165,Cc1cc(OCCN2CCC(NC(=O)c3ccc(F)c(F)c3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4297279
16166,Cc1cc(OCCN2CCC(c3cc4ccccc4s3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.654447
16167,Cc1ccccc1N1CCN(CCN2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72620285
16168,Cc1nc(CCCN2CCN(Cc3cccc(Cl)c3)CC2)sc1-c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6087594
16169,Clc1cccc(CN2CCN(CCCCc3ccc4ccccc4n3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69820607
16170,FC(F)(F)OCCCN1CCN(Cc2cccc(-c3nc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5956676
16171,N#Cc1cccc(S(=O)(=O)Nc2ccccc2N2CCN(CCN3CCC(F)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.48063764
16172,Nc1cc2c(cc1F)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7582598
16173,O=C(c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2)c1cccc2cc[nH]c12,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4851203
16174,O=C(c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1cc2ccccc2nc1O,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71995914
16175,O=c1ccc(-c2ccccc2)c(NCCCCN2CCN(Cc3cccc(Cl)c3)CC2)o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5904541
16176,O=c1ncc(F)cn1C1CCN(CCN2CCN(c3ccccc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81334877
16177,O=c1ncc(F)cn1C1CCN(CCN2CCN(c3ccccc3OC(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8028199
16178,Oc1cc2c(cc1-c1cc(F)cc(F)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7837304
16179,Oc1ccc2ccc(-c3cccc(CN4CCN(CCCOCCF)CC4)c3)cc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6479464
16180,CC(=O)OOc1ccc(OCCN2CCN(c3cccc(CC(F)(F)F)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.64559495
16181,CC(C)(C)OC(=O)Nc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.31691527
16182,CC(C)c1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccc4)nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7112309
16183,CC1CCN(CCN2CCN(c3ccccc3-c3nccc(O)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7005026
16184,CCCOc1ccc(OCCc2ccccc2OC)c(CN2CCCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3978883
16185,CCCOc1ccc(OCNC(=O)c2ccc(F)cc2)c(C(=O)Nc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.017551236
16186,CCCOc1ccc(OS(C)(=O)=O)c(CC2C(=O)CCc3ccc(CC(C)=O)cc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17167887
16187,CCCc1ccc(OCC(=O)Nc2cc(OCCOC)ccc2OC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.006782367
16188,CCOC(=O)Nc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34975305
16189,CCOc1ccccc1-c1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61291474
16190,CCc1ccccc1C1CCN(CCOc2ccc(OS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6252535
16191,CNC(=O)CCOc1ccc(ON2CCC(C(=O)c3ccc(F)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.098173216
16192,COC(=O)Nc1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.31801498
16193,COC1CCN(CCN2CCN(c3ccccc3-n3cc(-c4ccc(Cl)cc4)nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7606544
16194,COC1CCN(CCN2CCN(c3ccccc3COc3ccc(-c4nccs4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68129694
16195,COC1CCN(CCN2CCN(c3ccccc3Cc3ccnc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7493313
16196,COCCOc1ccc(ON2CCN(Cc3ccccc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.51096076
16197,COc1cc2c(cc1O)C1Cc3cccc(N4CCCCC4=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48443857
16198,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(COC(=O)[O-])cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48024407
16199,COc1cc2c(cc1OC)C1Cc3cccc(CCO)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8408963
16200,COc1cc2c(cc1OS(C)(=O)=O)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6040651
16201,COc1ccc(C(=O)NCCN2CCN(c3ccccc3C)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.68835914
16202,COc1ccc(OCCF)cc1C=NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.056355778
16203,COc1ccc(OCCF)cc1CNCc1ccc(Cl)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.09095115
16204,COc1ccc(OCCN(C)S(C)(=O)=O)cc1N1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.42823362
16205,COc1ccc(OCCN2CCCC(CCc3ccc(F)cc3)C2)cc1S(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.42229378
16206,COc1ccc(OCCN2CCN(Cc3ccc(Cl)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5729211
16207,COc1ccc(OCCNC(C)=O)cc1CNCC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.25161356
16208,COc1ccc(OCCS(C)(=O)=O)cc1NCC1CCCc2c(C)cccc21,[*]CCOc1ccc(O[*])c([*])c1,0.21029517
16209,COc1ccc(OCCS(C)(=O)=O)cc1OC(=O)Cc1ccc(C2CCCNC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07875611
16210,COc1cccc(CN2CCN(CCCC3CCSc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6868514
16211,COc1cccc(CN2CCN(CCCCNC(=O)c3cccc4ccccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56327444
16212,COc1cccc(CN2CCN(CCCN3C(=O)Cc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7389458
16213,COc1cccc2c1CN1CCc3cc(C(C)c4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6304091
16214,COc1cccc2c1CN1CCc3cc(COc4ccccc4C)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6350514
16215,COc1cccc2c1CN1CCc3cc(NC(=O)Nc4nccc5ccccc45)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32263693
16216,COc1ccccc1N1CCN(CCN2CCC(Cc3ccc4ncc(-c5ccccc5)cc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7792935
16217,COc1ccccc1Oc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.36949685
16218,CSCCCN1CCN(Cc2cccc(CNC(=O)c3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49036926
16219,CSc1ccccc1N1CCN(CCN2CCC(c3cnc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74283016
16220,Cc1cc(OCCC(C)Cc2cccs2)ccc1ON1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3516756
16221,Cc1cc(OCCCN(C)S(C)(=O)=O)ccc1ON1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21585019
16222,Cc1cc(OCCCOCc2ccccc2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.11473624
16223,Cc1cc(OCCN2CCC(COc3ccc4c(c3)NC(=O)CC4)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5045613
16224,Cc1cc(OCCN2CCC(Cc3ccccc3)C2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.53485703
16225,Cc1cc(OCCN2CCC(c3ccccc3CCF)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.57754874
16226,Cc1cc(OCCNC(=O)c2ccc(F)c(NS(C)(=O)=O)c2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.018874422
16227,Cc1cc2c(cc1CNc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3511483
16228,Cc1ccccc1N1CCN(CCN2CCC(c3ccnc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6284744
16229,Cc1ccccc1N1CCN(CCN2CCC(n3cccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69351655
16230,Fc1ccc(-c2ccc(C3CCN(CCN4CCN(c5ccccc5C(F)(F)F)CC4)CC3)nn2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78286785
16231,O=C(NCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)c1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45604876
16232,O=S1(=O)COC(c2cccc(CN3CCN(CCCCl)CC3)c2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.50794137
16233,O=[N+]([O-])C1CCN(CCN2CCN(c3ccccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6135234
16234,OC1CCN(CCN2CCN(c3ccccc3-n3cc(Br)c4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6271168
16235,OCc1ccc(Oc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7584838
16236,Oc1cccc2c1CN1CCc3cc(-c4cccs4)c(F)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.721032
16237,CCC(=O)c1cc2c(cc1OCc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42447436
16238,CCCCOc1ccc(OOC)c(N2CCC(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2526979
16239,CCCOc1ccc(OC)c(CS(=O)(=O)c2cc(C(C)C)ccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13446955
16240,CCCOc1ccc(OCN2CCC(c3ccccc3)CC2)c(C(=O)OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36308992
16241,CCCOc1ccc(OCN2CCN(c3ccccc3OC)CC2)c(CF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.75353175
16242,CCCOc1ccc(ONS(C)(=O)=O)c(C(=O)COc2ccc3c(c2)CCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23932444
16243,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(O)C(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24668813
16244,CCCOc1ccc(OS(=O)(=O)O)c(N2CCC(c3ccc(CC(C)C)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22982714
16245,CCCOc1ccc(OS(N)(=O)=O)c(C(F)CCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07750382
16246,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(Cc3cccc4c3NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.372987
16247,CCCOc1ccc(OS(N)(=O)=O)c(NC(=O)COc2ccc3c(c2)CCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06291085
16248,CCOc1cc2c(cc1Cl)CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60785097
16249,CCOc1ccccc1C(=O)NCCOc1ccc(OOC)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.02836288
16250,CCOc1ccccc1C1CCN(CCOc2ccc(OC)c(OC)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7414885
16251,CCc1cc2c(cc1-c1cccc(C#N)c1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59318274
16252,CCc1ccc(OC2CCN(CCOc3ccc(OC)c(S(N)(=O)=O)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.47448185
16253,CCc1ccc(OC2CCN(Oc3ccc(OCCS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.20543146
16254,COC(=Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2)c1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57260066
16255,COC1CCN(CCN2CCN(c3ccccc3-c3cc(-c4ccc(Cl)cc4)no3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75208014
16256,COC1CCN(CCN2CCN(c3ccccc3NC(=O)C3CCc4ccc(O)cc4O3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.42955336
16257,COC1CCN(CCN2CCN(c3ccccc3OCc3ccc(C(F)(F)F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.92429835
16258,COCCCN1CCN(Cc2cccc(CNC(=O)c3cccs3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4119341
16259,COOc1ccc(OCCF)cc1CC1C(=O)CCc2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.23036197
16260,COc1cc2c(cc1-c1ccccc1)C1Cc3cccc(C#N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7943502
16261,COc1cc2c(cc1O)C1Cc3cccc(C(=O)OCc4ccc5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55398935
16262,COc1cc2c(cc1O)C1Cc3cccc(C4CCOCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6912947
16263,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc(C=O)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.635277
16264,COc1ccc(-c2cccc3c2CN2CCc4cc(Cc5ccccc5)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6263838
16265,COc1ccc(CNCCOc2ccc(OC(=O)NC(C)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07556955
16266,COc1ccc(OCCCCC2CCc3ccccc3C2)cc1C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.42744565
16267,COc1ccc(OCCCSCc2ccc(F)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.121475466
16268,COc1ccc(OCCN2CCC(Oc3ccc4c(c3)CCC(=O)N4)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.53007036
16269,COc1ccc(OCCN=S(C)(=O)O)cc1N1Cc2ccc(CC3CCC(=O)C3)cc2CC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.2782652
16270,COc1ccc(OCCNC(=O)c2cccs2)cc1N1CCCC(O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.15391088
16271,COc1ccc(OCCNCc2ccc(S(C)(=O)=O)cc2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.16424948
16272,COc1ccc(OCCNCc2ccccc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.33665997
16273,COc1ccc(OCCNS(C)(=O)=O)cc1NC(=O)Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.0114841955
16274,COc1cccc(CN2CCN(CCCCc3cc(=O)ocn3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6617488
16275,COc1cccc2c1CN1CCc3cc(C(=O)CO)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46652165
16276,COc1cccc2c1CN1CCc3cc(N)c(C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6797198
16277,COc1cccc2c1CN1CCc3cc(O)c(C(=O)COc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47641838
16278,COc1cccc2c1CN1CCc3cc(O)c(Cc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6262989
16279,COc1ccccc1N1CCN(CCN2CCC(Oc3cccc4nccnc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.93039346
16280,C[N+](=O)C(=O)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4334992
16281,Cc1cc(OCCF)ccc1ONS(=O)(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.041359264
16282,Cc1cc(OCCNCc2ccccc2)ccc1ON=S(=O)(O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.19002768
16283,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCCC(Cc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2809939
16284,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCCC(Cc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.23715785
16285,Cc1cc2c(cc1C(=O)O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45616788
16286,Cc1ccc(OCCOc2ccc(OCCOS(C)(=O)=O)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.067552134
16287,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccccc3-c3ccco3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.61485255
16288,Cc1ccccc1N1CCN(CCN2CCC(Oc3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66034687
16289,ClCCCN1CCN(Cc2cccc(-c3cccc4c3Sc3ccccc3C4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70499074
16290,Clc1cccc(CN2CCN(CCCc3ccc4ccccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7488866
16291,FCCCN1CCN(Cc2cccc(Cc3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7299603
16292,NCCCc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64562863
16293,O=C(NCc1ccccc1)NCc1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51132524
16294,O=C(Nc1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1)c1cc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.32153428
16295,Oc1cnc2cc(OC3CCN(CCN4CCN(c5ccccc5Cl)CC4)CC3)ccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6643695
16296,c1ccc(CCCN2CCN(Cc3cccc(C4OCCc5ccccc54)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6273227
16297,CC(=O)C1CCN(CCN2CCN(c3ccccc3-c3ccc(O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75740594
16298,CC(=O)c1cccc(N2CCN(COc3ccc(OCCF)cc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32635427
16299,CC(C)c1ccccc1N1CCN(CCN2CCC(Cc3cc4ccccc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69781005
16300,CCC(=O)Nc1cc2c(cc1-c1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.2848552
16301,CCCCOc1ccc(OCCCN2CCN(c3ccccc3OC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.8493621
16302,CCCOc1ccc(OC)c(CN2CCN(c3ccc(Cl)cc3)CC(C)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.55180585
16303,CCCOc1ccc(ONCCc2ccccc2)c(-c2ccc(OC)c(OC)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13350935
16304,CCCOc1ccc(ONS(C)(=O)=O)c(OC2CCCC3=C2C=C2CCC(CCCCC3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24020746
16305,CCCOc1ccc(OOS(C)(=O)=O)c(C(C)Cc2ccc(N3CCNCC3)nc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22441666
16306,CCCOc1ccc(OS(=O)NC)c(N2CCC(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30975568
16307,CCCOc1ccc(OS(C)(=O)=O)c(CNC(=O)Cc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.016663745
16308,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4013127
16309,CCCOc1ccc(OSC)c(NC(=O)c2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.089336105
16310,CCOC1CCN(CCN2CCN(c3ccccc3[SH](=O)(O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6433825
16311,CCc1cccc2c1CN1CCc3cc(-c4ccc(OC)cc4)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7347248
16312,CNc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3530995
16313,COC1CCN(CCN2CCN(c3ccccc3-c3ccc4ncc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.61962473
16314,COCCCN1CCN(Cc2cccc(-c3cccc(-c4ccccc4)n3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5956733
16315,COCCOc1ccc(OCN2CCN(c3ccccc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.51283437
16316,COCCOc1ccc(OCNC(=O)c2ccc(F)cc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.020205578
16317,COCCOc1ccc(OF)c(CCNc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07804249
16318,COOc1ccc(OCCNCc2cccnc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.16260101
16319,COc1cc2c(cc1-c1ccn[nH]1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5858377
16320,COc1cc2c(cc1O)C1Cc3cccc(OCCF)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8155527
16321,COc1ccc(OCCC(=O)COc2ccc(F)cc2)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6111956
16322,COc1ccc(OCCC(N)=O)cc1CCCc1cccc2cc(F)ccc12,[*]CCOc1ccc(O[*])c([*])c1,0.04440861
16323,COc1ccc(OCCC2CCN(CCc3ccc(F)cc3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.7076719
16324,COc1ccc(OCCCc2ccc(SC)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08745812
16325,COc1ccc(OCCF)cc1NS(=O)(=O)c1ccc(CCN(C)C)s1,[*]CCOc1ccc(O[*])c([*])c1,0.08191381
16326,COc1ccc(OCCN2CCC(C(C)=O)CC2)cc1-c1cccc(C(C)C)c1OC,[*]CCOc1ccc(O[*])c([*])c1,0.5487818
16327,COc1ccc(OCCN2CCC(Oc3ccc(C(C)=O)cc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.46906936
16328,COc1ccc(OCCN2CCC(c3ccccc3)CC2)cc1S(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5402908
16329,COc1ccc(OCCN=S(C)(=O)O)cc1N1CC2CCc3ccccc3CC2CC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.29722148
16330,COc1ccc(OCCNCCc2cccc3nc(C)ccc23)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.111447826
16331,COc1ccc(OCCNCCc2ccccc2)cc1C=O,[*]CCOc1ccc(O[*])c([*])c1,0.20642327
16332,COc1ccc(OCCNCCc2ccccc2)cc1SC=O,[*]CCOc1ccc(O[*])c([*])c1,0.23013945
16333,COc1ccc(OCCNCc2ccccc2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.3430093
16334,COc1ccc(OCCS(N)(=O)=O)cc1CCOc1ccc(C2CCCCN2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.1675308
16335,COc1cccc(CN2CCN(CCCc3cccc4nc(O)ccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5937469
16336,COc1cccc2c1CN1CCc3cc(C(=O)OC(C)C)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48556003
16337,COc1ccccc1C(=O)c1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72583634
16338,COc1ccccc1N1CCCN(c2cc(OCCC(N)=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.17668617
16339,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc4c(c3)Cc3ccccc3C4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85154885
16340,COc1ccccc1N1CCN(CCN2CCC(c3cc(O)nc(-c4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7534324
16341,CSc1cccc2c1CN1CCc3cc(C)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6641265
16342,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)ccc1OS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.6217766
16343,Cc1cc(OCCN2CCC(c3ccccc3OC3CC3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.65810925
16344,Cc1cc(OCCNC(=O)c2ccccc2)ccc1ON1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.13874175
16345,Cc1cc(OCCNCCc2ccc(C(F)(F)F)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.12568818
16346,Cc1cc(OCCNS(C)(=O)=O)ccc1OCN1CCC(C(=O)N2c3ccccc3CC2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24127011
16347,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCC(Oc2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23008603
16348,Cc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1ccccc1Oc1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2886518
16349,Cc1cccc(CN2CCN(CCCn3ccc(C)cc3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57733697
16350,FC(F)(F)c1ccccc1N1CCN(CCN2CCC(n3ccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8197852
16351,N#Cc1ccccc1N1CCN(CCN2CCC(c3ncccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.88756514
16352,O=C1CCN(CCN2CCN(c3ccccc3-c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75997
16353,O=C1c2ccccc2NC(c2cccc(CN3CCN(CCCCl)CC3)c2)N1c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61394876
16354,Oc1cccn1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61610395
16355,C=CCN(C)c1cc(OCCC)ccc1OCCOc1ccccc1C(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.16377923
16356,C=CCOc1cc(OCCC)ccc1ON1CCN(c2ccccc2OCC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.41520044
16357,C=Cc1cccc2c1CN1CCc3cc(OS(C)(=O)=O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7000805
16358,C=Cc1ccccc1OC1CCN(CCOc2ccc(OC)c(OS(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6416146
16359,CC1CCN(CCN2CCN(c3ccccc3-c3ccn4nccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7000377
16360,CCCCN1CCN(Cc2cccc(C(=O)Nc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.29343015
16361,CCCOc1ccc(OC)c(NC(=O)C2CCCN(Cc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22024532
16362,CCCOc1ccc(OC=O)c(NS(=O)(=O)c2ccc(C(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08488363
16363,CCCOc1ccc(OCCCc2ccc(F)cc2)c(C(=O)OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.061415628
16364,CCCOc1ccc(OCN2CC=C(C(=O)OC)CC2)c(Oc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21534364
16365,CCCOc1ccc(ON2CCCC(CCc3ccccc3)C2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37007487
16366,CCCOc1ccc(ON2CCN(c3ccc(F)cc3)CC2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24823849
16367,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCN(c3cccc(Cl)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3485254
16368,CCCOc1ccc(OOC)c(CN2CCCN(c3ccccc3OCCF)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8185013
16369,CCCOc1ccc(OOC)c(N2CCN(c3ccc(C(C)=O)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16511615
16370,CCCOc1ccc(OS(C)(=O)=O)c(C(F)CCc2ccc(OC3CCCCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22982104
16371,CCCOc1ccc(OS(C)(=O)=O)c(NCCc2ccc(OC3CCCCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.123346254
16372,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(Oc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32572556
16373,CNC(Cc1ccc2ccccc2c1)c1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63255614
16374,CNSOc1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.56731236
16375,CNc1cccc(CN2CCN(CCCCN3C(=O)c4ccccc4S3(=O)=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51015425
16376,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccccc3-c3ccccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.42636934
16377,COCCCN1CCN(Cc2cccc(N3Oc4ccccc4NC3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59189314
16378,CON1CCN(CCNC(=O)c2ccc(-c3ccc(O)o3)c([N+](=O)[O-])c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.1710548
16379,COc1cc2c(cc1O)C1Cc3cccc(-c4c(C)cccc4C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6503169
16380,COc1ccc(C(=O)NCCN2CCN(O)CC2)cc1-c1ccc([N+](=O)[O-])cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.16297065
16381,COc1ccc(CCCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64041036
16382,COc1ccc(OCCCC(=O)c2cccs2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.055367604
16383,COc1ccc(OCCF)cc1N1CCC(C(=O)c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2291588
16384,COc1ccc(OCCN(C)C)cc1N1CCN(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.40576416
16385,COc1ccc(OCCN2CCC(Oc3ccc(CCCF)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.6116765
16386,COc1ccc(OCCN2CCC(Oc3ccccc3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6845406
16387,COc1ccc(OCCN2CCCC(c3ccc(OC4CCCCC4)cc3)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.44554418
16388,COc1ccc(OCCN2CCCC2)cc1NS(=O)(=O)c1ccc(Cl)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.30637166
16389,COc1ccc(OCCS(N)(=O)=O)cc1CN1CCC(c2cc(F)ccc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4263479
16390,COc1cccc(CN2CCN(CCCc3nc(C=Cc4ccccc4)cs3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.636325
16391,COc1cccc(CNC(=O)Cc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.33070025
16392,COc1cccc2c1CN1CCc3cc(-c4c(F)cccc4F)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7488434
16393,COc1cccc2c1CN1CCc3cc(-c4ccc5ccccc5c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7119172
16394,COc1cccc2c1CN1CCc3cc(C(=O)Nc4cccc(C#N)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3855511
16395,COc1ccccc1C(O)c1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7210466
16396,COc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3ccc4c(c3)OCO4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77074575
16397,COc1ccccc1N1CCN(CCN2CCC(c3cc4ccc(O)cc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8019869
16398,COc1ccccc1N1CCN(CCN2CCC(c3ccc4ccc(O)nc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6830889
16399,COc1ccccc1N1CCN(CCN2CCC(c3ccccc3-c3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8256439
16400,CS(=O)(=O)Oc1cc2c(cc1O)C1Cc3cccc(Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6799509
16401,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(c2ccc(OC3CCCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1283266
16402,Cc1cc(OCCNC2CCc3ccccc3C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3381886
16403,Cc1cc(OCCNCCCc2ccccc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.31651834
16404,Cc1cc(OCCS(C)(=O)=O)ccc1OCN1CCC(Cc2ccc(OC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.32501426
16405,Cc1cc(OCC[SH](C)(=O)O)ccc1ON1CCC(c2ccc(OCC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21568134
16406,FC(F)(F)c1cccc(CN2CCN(CCCCN3CCSc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6313044
16407,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)NC1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46071598
16408,O=C(N=CC1Nc2ccccc2C(=O)N1c1ccccc1)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5315952
16409,O=C(N=CCc1ccccc1)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61649764
16410,OCc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)s1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75156015
16411,CC(=O)CCCN1CCN(Cc2cccc(CNC(=O)c3cc4ccccc4s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.45781264
16412,CCCCN1CCN(Cc2cccc(CNC(=O)C3(c4ccccc4)CC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.42419332
16413,CCCOc1ccc(OC(F)COc2ccccc2)c(C(=O)OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.050315995
16414,CCCOc1ccc(OC=O)c(N2CCCN(c3ccccc3OCCF)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3067431
16415,CCCOc1ccc(OCN2CCN(c3ccc(Cl)cc3)CC2)c(C(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.41256127
16416,CCCOc1ccc(OF)c(-c2ccc(OC)c(NC(=O)OC)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.022005005
16417,CCCOc1ccc(ON)c(C2CCc3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.51886207
16418,CCCOc1ccc(OOC)c(C2CCCN(CCC)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6099358
16419,CCCOc1ccc(OS(=O)(=O)NC)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08286899
16420,CCCOc1ccc(OS(C)(=O)=O)c(CNC(=O)COc2ccc(C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.012164373
16421,CCCOc1ccc(OS(N)(=O)=O)c(NCc2ccc(Cl)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.069980785
16422,CCOC1CCN(CCN2CCN(c3ccccc3COc3ccc4c(c3)NC(=O)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7330815
16423,CCOCCCN1CCN(Cc2cccc(N3CCc4ccccc4C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63789535
16424,CCOc1ccccc1C1CCN(CCOc2ccc(OC)c(C=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7005774
16425,COC(C)c1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5896911
16426,COC(C)c1ccccc1N1CCN(CCN2CCC(c3cccc(O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7034782
16427,COCCCN1CCN(Cc2cccc(CN3Cc4ccccc4CC3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68124205
16428,COCCCN1CCN(Cc2cccc(Cc3nc4ccccc4s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5828346
16429,COc1cc(CC2CCCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)C2)ccc1F,[*]CCOc1ccc(O[*])c([*])c1,0.41468537
16430,COc1cc2c(cc1O)C1Cc3cccc(C(N)=Cc4ccccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.769108
16431,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccncc3CO)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6563487
16432,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc(CO)c5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70447886
16433,COc1ccc(OCCC(C)Cc2ccc3c(c2)CCCC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.21144266
16434,COc1ccc(OCCCS(N)(=O)=O)cc1N1CCC(Cc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3508852
16435,COc1ccc(OCCF)cc1CNCC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.48631552
16436,COc1ccc(OCCN2CCC(c3ccccc3C=O)CC2)cc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.73200387
16437,COc1ccc(OCCN2CCC(c3ccccc3CC3CCCC3)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5317922
16438,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCC(CCc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31132913
16439,COc1ccc(OCCNS(=O)(=O)c2ccc(C(C)C)cc2)cc1N1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.07263487
16440,COc1ccc(OCCS(C)(=O)=O)cc1CCCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.25950265
16441,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Oc2ccc(C3CCCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2854074
16442,COc1ccc(OCCS(C)(=O)=O)cc1NCCc1cccnc1,[*]CCOc1ccc(O[*])c([*])c1,0.055726293
16443,COc1ccc(OCCc2ccccc2C(F)(F)F)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09444904
16444,COc1ccc2c(-c3cccc4c3CN3CCc5cc(OC)c(OC)cc5C3C4)cccc2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6984297
16445,COc1cccc(CN2CCN(CCCCCN3C(=O)c4ccccc4C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.71340877
16446,COc1cccc(CN2CCN(CCCCn3cccc(C(F)(F)F)c3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51548326
16447,COc1cccc(CN2CCN(CCCc3ccc(-c4ccc5ccccc5c4)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66679657
16448,COc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccc(F)cc4)c4ccc(CO)cc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80997205
16449,CS(=O)(=O)NOc1ccc(OCCF)cc1CCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.24636649
16450,Cc1cc(OCCCN2CCCC(c3ccccc3)C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.45507157
16451,Cc1cc(OCCN2CCC(Cc3ccc4ccccc4n3)CC2)ccc1OOS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.5389947
16452,Cc1cc(OCCN2CCC(Cc3ccccc3)CC2)ccc1OCS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5096431
16453,Cc1cc(OCCN2CCC(O)(c3ccc(CCCF)cc3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.62839043
16454,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)CCC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.042311218
16455,Cc1cc(OCCNCc2ccc(OS(C)(=O)=O)cc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1669889
16456,Cc1cc(OCCOS(C)(=O)=O)ccc1ON1CCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27465278
16457,Cc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccccn4)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70591384
16458,FC(F)(F)c1ccccc1N1CCN(CCN2CCC(C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8912905
16459,N#Cc1ccc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)nc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76631653
16460,O=C1OC(c2cccc(CN3CCN(CCCOC(F)(F)F)CC3)c2)Nc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60223067
16461,OCc1cccc2c1CN1CCc3cc(O)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74792147
16462,Oc1ccc(F)c(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8373732
16463,Oc1cccc2c1CN1CCc3cc(F)c(F)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8085496
16464,Oc1cccc2c1CN1CCc3cc(OC(F)(F)F)c(Br)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7931047
16465,Oc1ccccc1Cc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5590841
16466,Oc1nc2cc(Cl)ccc2n1C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85355234
16467,c1ccc(-c2cccc(CN3CCN(CCCCc4cc5ccccc5o4)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.8529407
16468,C#Cc1ccccc1S(=O)(=O)NC1CCN(CCN2CCN(c3ccccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.89113975
16469,CC(=O)c1cccc2c1CN1CCc3cc(O)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49972966
16470,CC1(C(=O)NCCCCN2CCN(Cc3cccc(F)c3)CC2)Cc2ccccc2NC1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5039464
16471,CCCOc1ccc(OCN2CCN(c3ccc(Cl)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5417714
16472,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(Cc3ccc(OC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16433834
16473,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34135792
16474,CCCOc1ccc(OS(C)(=O)=O)c(C(C)Cc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23742709
16475,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(CCc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34597796
16476,CCCOc1ccc(OSC)c(N2CCC(Cc3ccc4c(c3)NC(=O)CCC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3627823
16477,CCOC(=O)CCCOc1ccc(OC)c(CN2CCC(C(=O)c3ccc(SC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2984671
16478,CCON1CCN(CCNC(=O)c2ccc(OC)c(-c3ccccc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3613518
16479,CCc1cc2c(cc1O)C1Cc3cccc(C(=O)OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54593676
16480,CCc1ccc(OC2CCN(Oc3ccc(OCCCS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.20768675
16481,COC(=O)NCCOc1ccc(OC)c(N2CCN(c3ccccc3OCCF)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3149037
16482,COC1CCN(CCN2CCN(c3ccccc3-c3cnco3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7948995
16483,COC1CCN(CCN2CCN(c3ccccc3-c3ncc(F)n3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73561513
16484,COC1CCN(CCN2CCN(c3ccccc3COc3ccc(-c4ccccc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7442151
16485,COC1CCN(CCN2CCN(c3ccccc3S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6435226
16486,COCCCN1CCN(Cc2cccc(-c3ccc4c(c3)Cc3ccccc3-4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63561004
16487,COCCCN1CCN(Cc2cccc(Oc3ccccc3OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61449194
16488,COCCOc1ccc(ON2CCN(Cc3cccc(SC)c3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.50537306
16489,COOc1ccc(OCCCOc2ccc(SC)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.09202668
16490,COc1cc2c(cc1C)C1Cc3cccc(CO)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7039273
16491,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(C)c(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6124691
16492,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(OCc5cccc6ccccc56)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6230748
16493,COc1cc2c(cc1O)C1Cc3cccc(COCc4ccccn4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65425605
16494,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(CNC(C)(C)C)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57262295
16495,COc1cc2c(cc1O)CCN1Cc3c(cccc3OC(=O)Nc3ccc(C)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3024824
16496,COc1cc2c(cc1OCc1ccc(CO)cc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63057864
16497,COc1cc2c(cc1OCc1cccc(CO)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.654454
16498,COc1ccc(OCCN2CCC(NS(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5830543
16499,COc1ccc(OCCN2CCCCC2)cc1NS(=O)(=O)c1ccc(Cl)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.24430099
16500,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20485613
16501,COc1ccc(OCCS(C)(=O)=O)cc1-c1ccc(OCC(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.0666416
16502,COc1ccc(OCC[SH](C)C)cc1N1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.32362175
16503,COc1ccc2c(c1)CC(Cc1cc(OCCS(C)(=O)=O)ccc1OC)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.38205403
16504,COc1cccc(Oc2cc3c(cc2OC)CCN2Cc4c(C)cccc4CC32)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72762686
16505,COc1cccc2c1CN1CCc3cc(NCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4249045
16506,COc1ccccc1N1CCN(CCN2CCC(c3cccc(-c4ccc(F)cn4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.818325
16507,COc1ccccc1N1CCN(CCN2CCC(c3cccc(-c4ccco4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85653174
16508,COc1ccccc1N1CCN(CCN2CCC(c3cccc4oc(O)nc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7751869
16509,CS(=O)(=O)NOc1ccc(OCCCF)cc1CN1CCC(C(=O)c2ccc(C=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.34907997
16510,Cc1cc(OCCF)ccc1OCN1CCN(C=CNc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22766621
16511,Cc1cc(OCCF)ccc1ON1CCN(Cc2ccc(-c3ccccc3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5340837
16512,Cc1cc(OCCN2CCC(Cc3ccc4ccccc4c3)OC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5115182
16513,Cc1cc(OCCN2CCC(Oc3ccc4c(c3)NC(=O)CC4)CC2)ccc1OCS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5672593
16514,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)C(=O)CCC3)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.050680876
16515,Cc1cc(OCCc2ccc(F)cc2)ccc1OOC1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.21284038
16516,O=C(Cc1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1)N1CCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4157284
16517,O=C(NCc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1ccc2ccccc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74473965
16518,O=C(Nc1cccc(CN2CCN(CCCF)CC2)c1)c1ccc(-c2ccccc2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3680511
16519,O=C(Nc1ccccc2ccc-2c1)C(=O)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3296389
16520,O=CN1CCN(CCNC(=O)c2ccc(Cl)c(-c3ccccc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.4209222
16521,O=Cc1cccc2c1CN1CCc3cc(OCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63997996
16522,Oc1cc2c(cc1O)C1Cc3cccc(CCNc4ccc(C(F)(F)F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5082435
16523,CC(C)Oc1ccccc1N1CCN(CCN2CCC(n3cc(Cl)ccc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80337274
16524,CCCCN1CCN(Cc2cccc(C3CCCCC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65977067
16525,CCCCn1cc(CCOc2ccc(OC)c(CN3CCN(c4cccc(Cl)c4Cl)CC3)c2)nn1,[*]CCOc1ccc(O[*])c([*])c1,0.76007456
16526,CCCOc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)CCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0811317
16527,CCCOc1ccc(ON)c(N2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36283445
16528,CCCOc1ccc(ON2CCN(C(C)=O)CC2)c(NCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11979411
16529,CCCOc1ccc(OOC)c(CNC(=O)c2ccc(CCN3CCCCC3)nc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19578917
16530,CCCOc1ccc(OS(=O)(=O)NC)c(NCC2CCc3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39128083
16531,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3cc(C(N)=O)cc4ccccc34)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15261358
16532,CCCc1cc2c(cc1O)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65370417
16533,CCOC(=O)c1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51604456
16534,CCc1cc(CCOc2ccc(ONS(C)(=O)=O)c(C)c2)no1,[*]CCOc1ccc(O[*])c([*])c1,0.06902184
16535,CNc1ccccc1N1CCN(CCN2CCC(C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.571849
16536,COC(=O)Nc1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.46220943
16537,COC(=O)[N+](=O)c1cccc(Cc2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42947847
16538,COC(=O)c1cc2c(cc1OC)C1Cc3cccc(Oc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41511065
16539,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(C(=O)N(C)C)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7703807
16540,COCCCN1CCN(Cc2cccc(-c3ccc4c(c3)CS(=O)(=O)C4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5956073
16541,COCCOc1ccc(OC)c(-c2ccccc2OCCCF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1739745
16542,COCCOc1ccc(OCNC(=O)c2ccccc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.031384476
16543,COOc1ccc(OCCN2CCC(Cc3ccc(S(C)(=O)=O)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.48234698
16544,COc1cc2c(cc1C(=O)OCc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4309031
16545,COc1cc2c(cc1C(F)(F)F)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78392327
16546,COc1cc2c(cc1CC1CC1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8187407
16547,COc1cc2c(cc1CCc1cccc(C#N)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66910666
16548,COc1cc2c(cc1OC)C1Cc3cccc(-c4cc(C#N)ccc4CO)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6087006
16549,COc1cc2c(cc1OCc1ccc(CO)cc1)C1Cc3cccc([N+](=O)c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.524555
16550,COc1ccc(OCCC(=O)COc2ccc3c(c2)NC(=O)CC3)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.18919612
16551,COc1ccc(OCCCCc2ccccc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.12239821
16552,COc1ccc(OCCN2CCN(c3ccccc3OC)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.83065003
16553,COc1ccc(OCCN2CCc3ccccc3C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4808371
16554,COc1ccc(OCCN=S(C)(=O)O)cc1NCCc1cccc2c1NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.15848267
16555,COc1ccc(OCCNC(=O)c2cc3ccccc3s2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.042995352
16556,COc1cccc(-c2cccc(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)c2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8123239
16557,COc1cccc(CN2CCN(CCCC(=O)c3nc4ccccc4s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55511224
16558,COc1cccc(CNC(=O)Cc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.30127004
16559,COc1cccc2c1CN1CCc3cc(NC(=O)Nc4c(Cl)cccc4Cl)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3848121
16560,COc1cccc2c1CN1CCc3cc(S(C)(=O)=O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6885596
16561,COc1ccccc1CC1CCCN(CCOc2ccc(OC)c(OS(C)(=O)=O)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.47809342
16562,COc1ccccc1N1CCN(CCN2CCC(c3c(O)nc4ccccc4c3Br)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7502145
16563,COc1cccnc1NC1CCN(CCN2CCN(c3ccccc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6546785
16564,CS(=O)(=O)NOc1ccc(OCCF)cc1CNCC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.29325172
16565,Cc1cc(OCCF)ccc1OCN1CCC(O)(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.53883004
16566,Cc1cc(OCCN2CCC(Cc3ccc(F)cc3)CC2)ccc1OCS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.52644813
16567,Cc1cc(OCCN2CCC(NC(=O)c3ccc(F)c(F)c3)C2)ccc1OS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.41849232
16568,Cc1cc(OCCNS(=O)(=O)c2cccc(C(C)C)c2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08193148
16569,Cc1ccc(C(=O)NCCN2CCN(c3ccccc3C)CC2)cc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.7357009
16570,Cc1ccc(OC2CCN(CCOc3ccc(ON)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.48397794
16571,Cc1ccccc1-c1cc(C(=O)NCCN2CCN(O)CC2)ccc1F,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31372568
16572,NC(=O)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5580721
16573,O=C(CCCCN1CCN(Cc2cccc(Cl)c2)CC1)NC1CCCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5676728
16574,O=C(NC1CCc2ccccc2C1)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59737176
16575,O=C1Cc2ccccc2C(=O)C1c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7041819
16576,O=S(=O)(CCCN1CCN(Cc2cccc(Cl)c2)CC1)C1CCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.679937
16577,OCC1(c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)CCCC1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72629255
16578,Oc1cc2c(cc1-c1cn[nH]c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7416416
16579,C#Cc1ccccc1N1CCN(CCNC(=O)c2ccc(OC)c(C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.72980374
16580,CC1Cc2ccccc2N1c1cccc(CN2CCN(CCCOC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68094844
16581,CCC=Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6590435
16582,CCCCc1ccc(Cc2cc(OCCF)ccc2ONS(C)(=O)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.076965064
16583,CCCOc1ccc(OCOc2ccccc2)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.82071066
16584,CCCOc1ccc(OF)c(-c2cccc(OC)c2NC=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09170706
16585,CCCOc1ccc(OS(=O)(=O)NC)c(NCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.069036074
16586,CCCOc1ccc(O[SH](C)(=O)O)c(N2CCCC(Cc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21581891
16587,CCOc1cccc(-c2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66096675
16588,CCOc1cccc(CN2CCN(CCCC(=O)N3CCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.38796666
16589,CN(C)Cc1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.704893
16590,COC1CCN(CCN2CCN(c3ccccc3Nc3ccc4cccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.43709573
16591,COCCCN1CCN(Cc2cccc(-c3ccc4cc(C(N)=O)oc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4408534
16592,COCCOc1ccc(OCN2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37501377
16593,COCc1ccc(COc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6798686
16594,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1cccc(C(F)(F)F)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.25927073
16595,COc1cc2c(cc1C=Cc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7704152
16596,COc1cc2c(cc1NC(=O)C1CCCCC1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.30621532
16597,COc1cc2c(cc1OC1CCC1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8487587
16598,COc1ccc(Cc2cc3c(cc2O)C2Cc4cccc(C)c4CN2CC3)c2ccccc12,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66837275
16599,COc1ccc(OCCC(=O)NS(C)(=O)=O)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.018455887
16600,COc1ccc(OCCC(N)=O)cc1C=Cc1ccccc1OC1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.0974255
16601,COc1ccc(OCCCNS(=O)(=O)c2ccccc2F)cc1OC(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.120527595
16602,COc1ccc(OCCF)cc1CS(=O)(=O)c1cccc(Cl)c1,[*]CCOc1ccc(O[*])c([*])c1,0.086014785
16603,COc1ccc(OCCN2CCC(C(F)F)CC2)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.606033
16604,COc1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1[N+](=O)[O-],[*]CCOc1ccc(O[*])c([*])c1,0.40576765
16605,COc1ccc(OCCN2CCCC(CCc3ccc(F)cc3)C2)cc1[SH](C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.4342179
16606,COc1ccc(OCCNS(C)(=O)=O)cc1CNCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.14959101
16607,COc1ccc(OCC[SH](C)(=O)O)cc1CNc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.05304599
16608,COc1cccc(CN2CCN(CCCN3C(=O)CC(=O)c4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63458806
16609,COc1cccc(CN2CCN(CCCN=C3COc4ccccc4N3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65072024
16610,COc1cccc(COc2cc3c(cc2OCc2ccccc2)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65479624
16611,COc1cccc2c1CN1CCc3cc(-n4cccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70120513
16612,COc1cccc2c1CN1CCc3cc(C=NOc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63931066
16613,COc1ccccc1N1CCN(CCN2CCC(NC(=O)Nc3nccc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64649034
16614,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc([O-])nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7200478
16615,COc1ccccc1N1CCN(CCN2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81336486
16616,CS(=O)(=O)c1ccccc1N1CCN(CCN2CCC(n3c(O)nc4c(F)cccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7109838
16617,CS(=O)(O)=NCCOc1ccc(OCc2ccc(Cl)cc2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05890739
16618,Cc1cc(OCCF)ccc1OCN1CCN(Cc2cccc(S(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.32859266
16619,Cc1cc(OCCF)ccc1ON[SH](C)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.050356887
16620,Cc1cc(OCCN2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6861004
16621,Cc1cc(OCCN2CCC(Oc3ccc(F)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5944194
16622,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18579702
16623,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCN(C(C)C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.13811146
16624,Cc1cc(OCCNC(=O)c2ccc(C(C)C)cc2)ccc1OC(=O)N(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.015068435
16625,Cc1cc(OCCNCc2ccccc2)ccc1O[SH](C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.23727895
16626,Cc1ccccc1N1CCN(CCN2CCC(c3cc(F)ccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68097913
16627,FC(F)(F)Oc1ccc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7641014
16628,O=C(Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2)c1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3751776
16629,O=C1C(=O)N(CCCN2CCN(Cc3cccc(O)c3)CC2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64817584
16630,O=C1c2ccccc2C(=O)N1c1ccccc1CC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64778274
16631,O=CC1CCN(CCN2CCN(c3ccccc3N3COc4ccccc4C3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71267074
16632,O=S(=O)(Oc1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1)C(F)(F)F,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5083296
16633,O=[N+]([O-])c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46426338
16634,OCCCN1CCN(Cc2cccc(-n3c(O)cc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6418167
16635,Oc1ccccc1N1CCN(CCN2CCC(c3cccn3-c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6407211
16636,C=Cc1ccccc1OC1CCN(c2cc(OCCOC)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.43197274
16637,CC(=O)NCC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8168576
16638,CC(=O)NCCOc1ccc(OC(=O)NCC2CCN(C(C)=O)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.085741416
16639,CCCOc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7349659
16640,CCCOc1ccc(OCN)c(N2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40431282
16641,CCCOc1ccc(ON=S(C)(=O)O)c(CF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06770709
16642,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3ccc4c(c3)NC(=O)CO4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23876579
16643,CCCOc1ccc(OSC)c(N2CCCC(NS(=O)(=O)c3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17018302
16644,CCOc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cc4ccccc4nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79441226
16645,CN(C)c1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc2cccc1-2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5639706
16646,CNCCOc1ccc(OC)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7987514
16647,CNCc1ccc(-c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5462293
16648,COC(=O)Nc1cccc(C2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6626486
16649,COC1CCN(CCN2CCN(c3ccccc3Nc3ccc(-c4ccc(O)nc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.40025952
16650,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc([N+](=O)[O-])cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75233936
16651,CON1CCN(CCNC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])c(C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27559528
16652,CON1CCN(CCNC(=O)c2ccc(C)c(-c3cccc(Cl)c3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31299105
16653,COOc1ccc(OCCN2CCN(Cc3cc(F)ccc3C=O)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.37005198
16654,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1[N+](=O)c1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.36427298
16655,COc1cc2c(cc1Cc1ccc([N+](=O)C(=O)O)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38050464
16656,COc1cc2c(cc1NC(=O)COc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.25681952
16657,COc1cc2c(cc1O)C1Cc3cccc(-c4c(C#N)ccc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6185159
16658,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(COC4CCCC4)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6488693
16659,COc1cc2c(cc1OC)C1Cc3cccc(-c4cccc(C(C)(C)C)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66426384
16660,COc1cc2c(cc1OC)C1Cc3cccc(C=CNOCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6492609
16661,COc1ccc(C(=O)NCCN2CCN(C)CC2)cc1C(=O)c1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2984742
16662,COc1ccc(COc2cc3c(cc2OC)C2Cc4cccc(OCCc5ccccc5)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7554215
16663,COc1ccc(OCCC(=O)CCc2ccc3c(c2)N(C)C(=O)C3)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.11243248
16664,COc1ccc(OCCCN2CCCC(c3ccccc3)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.68989974
16665,COc1ccc(OCCCS(N)(=O)=O)cc1C(C)COc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.20568657
16666,COc1ccc(OCCF)cc1CN1CCN(c2ccccc2OC)C(C(C)=O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.35087153
16667,COc1ccc(OCCF)cc1NC(=O)C1CCCN(CCc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.12495407
16668,COc1ccc(OCCN2CCC(C(=O)c3cccs3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.55813605
16669,COc1ccc(OCCN2CCC(c3cccs3)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.6869633
16670,COc1ccc(OCCNC(=O)Cc2cccs2)cc1CN1CCC(C(=O)c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21525331
16671,COc1ccc(OCCOC=O)cc1-c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07516524
16672,COc1cccc2c1CN1CCc3cc(-c4ccc(CO)cc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6845422
16673,COc1cccc2c1CN1CCc3cc(C)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69151765
16674,COc1ccccc1-c1cc(C(=O)NCCN2CCN(O)CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3153461
16675,COc1ccccc1N1CCN(CCN2CCC(C(N)=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87911445
16676,COc1ccccc1N1CCN(CCN2CCC(N=CC3Nc4ccccc4C(=O)N3c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7464364
16677,Cc1cc(OCCCN2CC(C)Cc3ccccc32)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.3541179
16678,Cc1cc(OCCN2CCC(Cc3ccccc3)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4627337
16679,Cc1cc(OCCN2CCC(NS(=O)(=O)c3ccc(C(C)C)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.56651133
16680,Cc1cc(OCCN2CCCC(CCc3ccc4c(c3)NC(=O)CC4)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.44703716
16681,Cc1cc(OCCc2ccc(OCc3ccccc3)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07615953
16682,Cc1cccc(CN2CCN(CCCc3oc(=O)cc4ccccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53701204
16683,N#Cc1cccc(Cc2cc3c(cc2O)C2Cc4cccc(Oc5ccccc5)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6381181
16684,O=C(NCCCCN1CCN(Cc2cccc(O)c2)CC1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.71315295
16685,O=C1C(=O)N(c2cccc(CN3CCN(CCCc4ccccc4)CC3)c2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62110704
16686,O=[N+]([O-])c1cccc2c1CN1CCc3cc(OCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46877825
16687,O=c1ccccn1C1CCN(CCN2CCN(c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7134429
16688,OCCOc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7498723
16689,OCc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69615114
16690,Oc1ccccc1N1CCN(CCN2CCC(c3nc(-c4ccccc4)cs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72447467
16691,CC(=O)Nc1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.31535208
16692,CC(=O)Oc1ccc(OCCNCc2cccs2)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07079889
16693,CC(=O)c1ccc(CNC(=O)Oc2ccc(OCCF)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.018405493
16694,CC(=O)c1ccccc1N1CCN(CCN2CCC(c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6902047
16695,CCCOc1ccc(OC(F)Cc2cccnc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0998875
16696,CCCOc1ccc(OC)c(N2CCC(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23590022
16697,CCCOc1ccc(OCCOc2ccc3c(c2)NC(=O)CC3)c(N=S(C)(=O)O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2072762
16698,CCOc1cc2c(cc1C)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6888235
16699,CCOc1ccccc1N1CCN(CCN2CCC(n3c(O)cc4cc(F)ccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69368374
16700,COC1CCN(CCN2CCN(c3ccccc3-c3ncc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84644264
16701,COC1CCN(CCN2CCN(c3ccccc3C(O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7589113
16702,COCCOc1ccc(OC)c(CN2CCN(c3ccccc3C(C)C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7635185
16703,COCCOc1ccc(OC)c(N2CCCC(CCc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32391593
16704,COOc1ccc(OCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.82295793
16705,COc1cc2c(cc1C(C)=O)C1Cc3cccc(C=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5426565
16706,COc1cc2c(cc1COCc1cccc(C#N)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69010514
16707,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)c3cc4ccccc4[nH]3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5526554
16708,COc1ccc(Br)cc1C1(O)CCN(c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70891833
16709,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccccn1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35420534
16710,COc1ccc(OCCC2CCCN(C(=O)c3cccc(F)c3)C2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.10616515
16711,COc1ccc(OCCCc2cccs2)cc1NC(=O)c1ccc(C(C)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.028751241
16712,COc1ccc(OCCF)cc1CSCc1cccc(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09161843
16713,COc1ccc(OCCN2CCC(c3cc(C)on3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.52926135
16714,COc1ccc(OCCN2CCN(c3ccc(OS(C)(=O)=O)cc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.6898865
16715,COc1ccc2c(c1)CCCN(Cc1ccccc1N1CCN(CCN3CCC(OC)CC3)CC1)C2=O,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7103005
16716,COc1ccccc1-c1cc(C(=O)NCCN2CCN(Br)CC2)ccc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.41925955
16717,COc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3ccc4cccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85345435
16718,COc1ccccc1N1CCN(CCN2CCC(Oc3ccc4cc(C(N)=O)ccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69635004
16719,COc1ccccc1N1CCN(Oc2ccc(OCCNC(=O)Cc3ccccc3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.15166517
16720,CS(=O)(=O)NOc1ccc(OCCF)cc1CN1CCCC(Cc2ccc3c(c2)NC(=O)CC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.38529268
16721,CSOc1ccc(OCCC(O)COc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.14257874
16722,CSc1ccc(S(=O)(=O)NCCOc2ccc(OS(C)(=O)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.05126862
16723,Cc1cc(OCCN=S(C)(=O)O)ccc1ONCC1CCc2ccc(OCC(F)(F)F)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.2471902
16724,Cc1cc(OCCNS(=O)(=O)Cc2ccc(C(C)C)cc2)ccc1ON1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.16566393
16725,Cc1cc(OCCNS(=O)(=O)c2cccs2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08047586
16726,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCCC(Cc2ccc(OC3CCC(=O)NC3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.20533499
16727,Cc1cc(OCCOC2CCC(NCc3ccccc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13702515
16728,Cc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1ccccc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2156316
16729,Cc1ccccc1N1CCN(CCN2CCC(COCC#Cc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6475412
16730,Cc1ccccc1N1CCN(CCN2CCC(c3cnc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64599246
16731,Clc1cccc(CN2CCN(CCCc3cc(-c4ccccc4)no3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7449084
16732,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)N1Cc2ccccc2C1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64996654
16733,O=C(NCc1ccccc1)NC1CCN(CCN2CCN(c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68600804
16734,O=C(Nc1ccccc1)c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35535228
16735,O=C(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1ccc(-c2ccccn2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.407915
16736,O=C(c1cccc(CN2CCN(CCCCl)CC2)c1)C1CCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.632293
16737,O=C1N(c2ccccc2)CCN1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6712806
16738,O=C1NC(c2cccc(CN3CCN(CCCCl)CC3)c2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6714161
16739,OC1CCN(CCN2CCN(c3ccccc3-c3cc(-c4ccccc4)ccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7912698
16740,OCc1cccc(-c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61453766
16741,Oc1cc2c(cc1-c1cc(F)cc(C(F)(F)F)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68312544
16742,Oc1cccc(CN2CCN(CCCCc3cccc(-c4ccccc4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7815082
16743,Oc1cccc2c1CN1CCc3cc(Cc4ccccc4Cl)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7067877
16744,CC(=O)c1ccc(OC2CCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.40646386
16745,CC1CCN(CCN2CCN(c3ccccc3CNCC3CCc4ccc(O)cc4O3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67814076
16746,CCCNC(=O)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4623216
16747,CCCOc1ccc(OC)c(NCC2CCN(S(C)(=O)=O)c3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2741374
16748,CCCOc1ccc(OCOc2ccccc2OCC)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.120975606
16749,CCCOc1ccc(ONS(C)(=O)=O)c(C(C)Cc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22180688
16750,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(c3ccccc3C=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27464163
16751,CCCOc1ccc(OOC)c(-c2ccccc2CC2CCCNC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29167375
16752,CCCOc1ccc(OOC)c(C2CCN(CCc3cccc4c3CC(=O)C4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.67808264
16753,CCCOc1ccc(OS(C)(=O)=O)c(CC2CCN(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5194649
16754,CCOC(=O)c1cc(OCCN2CCC(c3ccccc3)CC2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.41138232
16755,CCOc1cccc2c1CN1CCc3cc(-c4ccc(C)cc4)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59866387
16756,CCOc1ccccc1C1CCN(CCOc2ccc(OC)c(SC)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.67648673
16757,CNC(=O)CCOc1ccc(OC)c(N2CCC(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19768818
16758,COC(=O)CCc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55167454
16759,COC1CCN(CCN2CCN(c3ccccc3C(=O)C3CCCc4ccc(O)cc4O3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.57942873
16760,COC1CCN(CCN2CCN(c3ccccc3Nc3nccc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.46521592
16761,COOc1ccc(OCCF)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.08484131
16762,COOc1ccc(OCCNC(=O)c2cccs2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.01827447
16763,COOc1ccc(OCCOc2cc(F)ccc2OC)cc1CN1CCC(CCc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.59438956
16764,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1C(=O)c1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.38446015
16765,COc1cc2c(cc1O)C1Cc3cccc(C4CC4C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.82740045
16766,COc1ccc(Br)cc1-c1cccc(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7514912
16767,COc1ccc(C(C)C)cc1S(=O)(=O)NOc1ccc(OCCF)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.06085296
16768,COc1ccc(CNCc2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76286376
16769,COc1ccc(OCCC=CC2C(=O)CCc3ccccc32)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.21999586
16770,COc1ccc(OCCCCCc2ccc3ccccc3c2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.08243796
16771,COc1ccc(OCCCc2ccc(F)cc2)cc1NS(=O)(=O)Cc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.061225813
16772,COc1ccc(OCCN2CCC(NC(=O)c3ccc(C(C)C)cc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4000103
16773,COc1ccc(OCCN2CCC(OC(C)=O)CC2)cc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.38176167
16774,COc1ccc(OCCN2CCC(Sc3ccccc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5243907
16775,COc1ccc(OCCN2CCC(c3ccc(OC4CCCCC4)cc3)CC2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.58642906
16776,COc1ccc(OCCN2CCC(c3ccccc3C=O)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.66150624
16777,COc1ccc(OCCNC2=C3C=CC=C=CCCC(=C2)CCC(=O)CC3)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.103597514
16778,COc1ccc(OCCNCc2ccccc2)cc1S(=O)(=O)C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.14930037
16779,COc1ccc(OCCNS(C)(=O)=O)cc1-c1ccc(CCc2ccccc2)nc1,[*]CCOc1ccc(O[*])c([*])c1,0.07464845
16780,COc1ccc(OCCNS(C)(=O)=O)cc1CCC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.32478967
16781,COc1ccc(OCCOC(C)=O)cc1CN1CCC(C(=O)c2ccc(SC)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.34871984
16782,COc1ccc(OCCS(=O)(=O)c2ccccc2)cc1N1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28658307
16783,COc1ccc(OCCS(C)(=O)=O)cc1CCOc1ccc(C(F)(F)F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.072210364
16784,COc1cccc(C2CCN(CCOc3ccc(OOS(C)(=O)=O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6874318
16785,COc1cccc(CN2CCN(CCCCNS(C)(=O)=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5866985
16786,COc1cccc(CN2CCN(CCCCn3c(=O)ccc4ccccc4c3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5516079
16787,COc1cccc2c1CN1CCc3cc(-c4ccc(C(F)(F)F)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72244424
16788,COc1cccc2c1CN1CCc3cc(OCc4cccs4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66937786
16789,Cc1cc(OCCF)ccc1OCS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06811493
16790,Cc1cc(OCCN2CCC(CCc3ccc(F)cc3)CC2)ccc1O[SH]=O,[*]CCOc1ccc(O[*])c([*])c1,0.5910876
16791,Cc1cc(OCCN2CCC(OCc3ccc4c(c3)NC(=O)CCC4)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6813259
16792,Cc1cc(OCCN2CCC(Oc3ccc(CC(F)(F)F)cc3)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4643642
16793,Cc1cc(OCCN2CCN(C=O)CC2)ccc1OCc1cccc(C(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40394464
16794,Cc1cc(OCCNCC2CCc3sccc3C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.18683648
16795,Cc1cc(OCCNCc2ccc3c(c2)OCC(=O)N3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08455069
16796,Cc1cc(OCCSCc2ccccc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07750365
16797,Cc1cccc2c1CN1CCc3cc(OCc4ccccc4Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53260607
16798,O=[N+]([O-])c1ccccc1N1CCN(CCN2CCC(Cc3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.56308824
16799,Oc1cccc2c1CN1CCc3cc(Cc4ccccc4)c(F)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7401686
16800,CC(=O)Cc1ccc2c(c1)C(SCNCCOc1ccc(ON=S(C)(=O)O)c(C)c1)C(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.07294379
16801,CC(=O)c1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1ccc(Cl)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3148763
16802,CCCOc1ccc(OF)c(C(=O)Cc2ccc(N3CCNCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13299488
16803,CCCOc1ccc(ON2CCN(c3ccccc3OCC)CC2)c(NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17294204
16804,CCCOc1ccc(ON=S(C)(=O)O)c(NC(=O)CCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.00773825
16805,CCCOc1ccc(OOC)c(CN2CCN(c3ccccc3OCC(F)(F)F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8568312
16806,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCC(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28306118
16807,CCCOc1ccc(OS(C)(=O)=O)c(N2CC=C(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2844795
16808,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Oc3ccc(NC(C)=O)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11256575
16809,CCCOc1ccc(OS(C)(=O)=O)c(NCCc2cccnc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.051446415
16810,CCCOc1ccc(OS(N)(=O)=O)c(Cc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1069818
16811,CCOc1cc2c(cc1OC)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75667226
16812,CCOc1ccccc1N1CCN(CCN2CCC(n3c(O)nc4ccc(Cl)cc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72012585
16813,CCc1cc2c(cc1CC)CC(c1cc(OCCN=S(C)(=O)O)ccc1OC)C2,[*]CCOc1ccc(O[*])c([*])c1,0.20295072
16814,CCc1ccc(OC2CCN(CCOc3ccc(ON=S(C)(=O)O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.42197487
16815,COC1CCN(CCN2CCN(c3ccccc3-c3cc(F)ccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7821651
16816,COOc1ccc(OCCc2ccc(F)cc2)cc1Cc1cccnc1,[*]CCOc1ccc(O[*])c([*])c1,0.09536271
16817,COc1cc2c(cc1C(=O)Nc1cccc(C#N)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32231545
16818,COc1cc2c(cc1OC)CC(CNCCOc1ccc(OCS(C)(=O)=O)c(C)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.26216933
16819,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccccc1[N+](C)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.37987074
16820,COc1ccc(Cc2ccccc2N2CCN(CCN3CCC(O)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7026888
16821,COc1ccc(OCCC(C)COc2ccccc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10433223
16822,COc1ccc(OCCCN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.7165819
16823,COc1ccc(OCCF)cc1NS(=O)(=O)c1ccccc1C1CCCCN1,[*]CCOc1ccc(O[*])c([*])c1,0.19217911
16824,COc1ccc(OCCN2CCC(Cc3cccc(SC)c3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.67001843
16825,COc1ccc(OCCN2CCC(c3cccc(F)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6913609
16826,COc1ccc(OCCN2CCCC(Cc3ccc(OC4CCNCC4)cc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.36419895
16827,COc1ccc(OCCN2CCN(c3ccc(CS(C)(=O)=O)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.6707281
16828,COc1ccc(OCCNC(=O)c2ccc(N3CCCCC3)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.06140501
16829,COc1ccc(OCCNC(=O)c2ccccc2)cc1N1CCC(NC(C)=O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2639245
16830,COc1ccc(OCCNCC2CCc3ccc(SC)cc3O2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.41703823
16831,COc1ccc(OCCNS(C)(=O)=O)cc1CN1CCC(Oc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.37446705
16832,COc1ccc(OCCS(C)(=O)=O)cc1CC(C)COc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.25204206
16833,COc1ccc(OCCS(C)(=O)=O)cc1NC(=O)OCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.0737663
16834,COc1ccc(OCCS(N)(=O)=O)cc1N1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29471013
16835,COc1cccc(-c2cccc(CN3CCN(CCCCc4ccccc4)CC3)c2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66817814
16836,COc1cccc2c1CN1CCc3cc(CNc4ccc(C#N)cc4)c(C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47848502
16837,COc1ccccc1C(=O)NCc1cccc(CN2CCN(CCCOC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.418841
16838,CSOc1ccc(OCCN2CCC(Cc3ccc4c(c3)CCCC(=O)N4)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5439565
16839,CSOc1ccc(OCCNCCc2ccc3c(c2)CCC(=O)N3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.15078172
16840,Cc1cc(C(=O)NCCN2CCN(c3ccccc3C)CC2)ccc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.7341766
16841,Cc1cc(OCCN2CCCC2Cc2ccccc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3576555
16842,Cc1cc(OCCNCc2cccs2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13558926
16843,Cc1cc(OCCNS(=O)(=O)c2ccccc2F)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09758714
16844,Cc1cc2c(cc1-c1cccnc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58641183
16845,FC1CCN(CCN2CCN(c3ccccc3Nc3ccc(-c4ccccc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.49291456
16846,Fc1ccc(Sc2cccc(CN3CCN(CCCC(F)(F)F)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6600128
16847,N#Cc1cccc(Oc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67118627
16848,O=C(NCCCCN1CCN(Cc2cccc(O)c2)CC1)c1cc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.71295494
16849,O=C(c1cccc(O)c1)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.795714
16850,O=C1CC(=O)N(Cc2cccc(CN3CCN(CCCF)CC3)c2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56490016
16851,O=C1CCc2ccccc2N1Cc1cccc(CN2CCN(CCCOC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6582644
16852,Oc1cc2c(cc1-c1ccc(F)cc1Cl)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7127326
16853,Oc1ccc(-c2cccc(CN3CCN(CCCF)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65749514
16854,Oc1cccn1CCCN1CCN(Cc2cccc(-c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6163566
16855,Oc1ccn(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72937024
16856,CCCOc1ccc(OC)c(NC(=O)C2CCCN(CC=S(=O)(O)O)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10279055
16857,CCCOc1ccc(OC)c(NC(=O)C2CCc3ccc(C(C)=O)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1869791
16858,CCCOc1ccc(ONC(C)=O)c(N2CCN(c3ccccc3C(C)C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16780926
16859,CCCOc1ccc(OOC)c(CN2CCCC(c3ccccc3OCC)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.50599086
16860,CCCOc1ccc(O[SH](=O)=CN(C)O)c(N2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26601905
16861,CCOc1ccc(-c2cc(OCCNC)ccc2OC)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.10276444
16862,CN1CCN(CCNC(=O)c2ccc(O)c(-c3ccccc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.38059917
16863,CNc1cc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c(Cl)cc1Cl,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5568656
16864,COCCCN1CCN(Cc2cccc(-c3ccc(NC4CCCCC4)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.44974336
16865,COCCCN1CCN(Cc2cccc(-c3cccc4oc(C(N)=O)cc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4294912
16866,COCCOc1ccc(OC)c(CN2CCN(c3ccccc3OCCF)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8706548
16867,COCCOc1ccc(OCN2CCN(C(=O)c3ccc(F)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.082830705
16868,COCCOc1ccc(OCNc2cccc(Cc3ccccc3)c2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08364996
16869,COOc1ccc(OCCN2CCC(S(=O)(=O)Cc3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.60725224
16870,COc1cc2c(cc1C#Cc1ccccc1)CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61010855
16871,COc1cc2c(cc1C(=O)NCc1cccc(Cl)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40704477
16872,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(OCC(C)O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59556174
16873,COc1cc2c(cc1O)C1Cc3cccc(CC(=O)OCc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4510223
16874,COc1cc2c(cc1O)CCN1Cc3c(CNC(C)(C)C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68811715
16875,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(CNC(C)=O)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45232594
16876,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCC3=CC=CC=CN3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65015554
16877,COc1cc2c(cc1O)CCN1Cc3c(cccc3S(=O)(=O)c3ccc(C#N)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5167165
16878,COc1cc2c(cc1O)CCN1Cc3c(cccc3[N+](=O)c3cccnc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6519804
16879,COc1cc2c(cc1OC)C1Cc3cccc(-c4c(C#N)cccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6846423
16880,COc1cc2c(cc1OCc1ccc3ccccc3c1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56885433
16881,COc1ccc(C(=O)NCCN2CCN(c3cc(C)ccc3C)CC2)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.49783462
16882,COc1ccc(OCCN2CCC(NC(=O)c3ccc(F)c(F)c3)CC2)cc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.5462671
16883,COc1ccc(OCCN2CCN(c3ccccc3OC)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.941661
16884,COc1ccc(OCCN2CCN(c3ccccc3OCCF)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.90726393
16885,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(Cc2ccc3c(c2)CCCC(=O)N3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.33239323
16886,COc1ccc(OCCNCCc2ccc(F)cc2)cc1C(=O)NC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08145957
16887,COc1ccc(OCCS(C)(=O)=O)cc1NCC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.28442374
16888,COc1ccccc1NC(=O)c1cc(OCCNC(=O)CCc2ccccc2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.01061019
16889,CS(=O)(=O)c1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5646338
16890,CSOc1ccc(OCCNCC2C(=O)CC(C)c3ccccc32)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.1273403
16891,CSc1ccc(C(=O)NCCOc2ccc(OCCCc3ccc4c(c3)NC(=O)CC4)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.10295428
16892,Cc1cc(OCCC2CCC(CN3CCc4ccc(F)cc4C3=O)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.37669677
16893,Cc1cc(OCCF)ccc1OCS(=O)(=O)c1cccc(C(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0649751
16894,Cc1cc(OCCF)ccc1ON1CCC(COc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3093121
16895,Cc1cc(OCCN2CCCC(c3ccccc3OC3CC3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5478368
16896,Cc1cc(OCCN=S(C)(=O)O)ccc1ONCCc1cccs1,[*]CCOc1ccc(O[*])c([*])c1,0.03570137
16897,Cc1cc(OCCNCCc2ccccc2F)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.13622755
16898,Cc1cc(OCCNS(=O)(=O)c2cc(C(C)C)ccc2F)ccc1OOC1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.13165446
16899,Cc1cccc2c1CN1CCc3cc(N=CN(C)C)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60238916
16900,Cc1ccccc1N1CCN(CCN2CCC(c3nc(-c4ccccc4)cn3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.669081
16901,FC(F)(F)c1ccccc1N1CCN(CCN2CCC(c3nc4ccccc4o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73719704
16902,Fc1ccccc1N1CCN(CCN2CCC(Oc3ccc(Br)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64390546
16903,Fc1ccccc1N1CCN(CCN2CCC(c3ccc(C(F)(F)F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7600599
16904,N#Cc1ccc(Nc2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4585678
16905,O=C(c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1)N1CCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5330888
16906,O=CNc1cc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)ccc1F,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44667324
16907,O=c1ccc(C(F)(F)F)cn1CCCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63711303
16908,Oc1cc2c(cc1Cc1ccccc1)CCN1Cc3c(cccc3-c3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6210962
16909,Oc1cccc2c1CN1CCc3cc(COC(F)(F)F)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7217821
16910,Oc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7921191
16911,Oc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccc(F)cc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6908663
16912,CC(=O)NCc1cc2c(cc1O)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47236258
16913,CC(=O)OCCOc1ccc(ON2CCCC(c3ccccc3)C2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13242966
16914,CC1CCN(CCN2CCN(c3ccccc3C(=O)NC3CCCCC3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6564806
16915,CC1CCN(CCN2CCN(c3ccccc3COc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6784692
16916,CCCOc1ccc(OF)c(N2CCC(Nc3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25382137
16917,CCCOc1ccc(ON2CCC(Cc3ccc(F)cc3)C(O)C2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37507233
16918,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(Oc3ccc4ccc(OC)cc4c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21904942
16919,CCCOc1ccc(ONC(=O)c2ccc(F)cc2)c(CN2CCCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1155516
16920,CCCOc1ccc(ONS(C)(=O)=O)c(C(CCc2ccc3c(c2)NC(=O)CC3)OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24377678
16921,CCCOc1ccc(ONS(C)(=O)=O)c(C2CCN(Cc3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5565574
16922,CCCOc1ccc(OS(C)(=O)=O)c(CN2CCC(Oc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.494601
16923,CCOCCCN1CCN(Cc2cccc(-c3cc(=O)[nH]c4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.52812415
16924,CCOc1ccc(OCCOC)cc1N1CCCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.26412156
16925,COC(=O)COc1cc2c(cc1C)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39429384
16926,COC(=O)[N+](=O)c1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.453328
16927,COC1CCN(CCN2CCN(c3ccccc3-n3ccc(-c4ccccc4)c3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78400826
16928,COC1CCN(CCN2CCN(c3ccccc3Cc3cc4ccccc4nc3S)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73234004
16929,COC1CCN(CCN2CCN(c3ccccc3Cc3ccc4cc(F)ccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7524265
16930,COC1CCN(CCN2CCN(c3ccccc3NC(=O)C3CCCCC3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.45491332
16931,COC1CCN(CCN2CCN(c3ccccc3Nc3ccc(-c4ccccc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.51989746
16932,COCCCN1CCN(Cc2cccc(C3=Nc4ccccc4OC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5331173
16933,COc1cc2c(cc1-c1cccc(OC(C)C)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54793984
16934,COc1cc2c(cc1Cl)C1Cc3cccc(OCc4cccc([N+](=O)[O-])c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45526224
16935,COc1cc2c(cc1O)CCN1Cc3c(CNC4CCCCC4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6146017
16936,COc1cc2c(cc1O)CCN1Cc3c(cccc3C3(O)CCCC3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7897758
16937,COc1cc2c(cc1OC)C1Cc3cccc(OCCc4ccc(F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76666665
16938,COc1ccc(OCCC2CCN(CCc3ccccc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.7231059
16939,COc1ccc(OCCF)cc1NS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.062063392
16940,COc1ccc(OCCN2CCC(c3ccc(OC4CCNC(=O)C4)cc3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5329566
16941,COc1ccc(OCCN2CCC(c3ccccc3OC3CC3)CC2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6232329
16942,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCC(Cc2ccc3c(c2)NC(=O)CC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.3000211
16943,COc1ccc(OCCNCCc2ccc3c(c2)NC(=O)CC3)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.14342982
16944,COc1ccc(OCCNS(=O)(=O)Cc2ccc(F)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10428229
16945,COc1ccc(OCCNS(=O)(=O)c2ccc(F)cc2)cc1OCC(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.035274297
16946,COc1ccc(OCCNS(C)(=O)=O)cc1CCCc1ccc(F)cn1,[*]CCOc1ccc(O[*])c([*])c1,0.10056256
16947,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Cc2ccc(F)cc2)C(=O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2945294
16948,COc1cccc(CCCCN2CCN(Cc3cccc(C4CCCCC4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7005725
16949,COc1cccc(CN2CCN(CCCC3C(=O)Nc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5703117
16950,COc1cccc(CN2CCN(CCCc3cccc(N=S(C)(=O)O)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5846821
16951,COc1cccc2c1CN1CCc3cc(C)c(CCO)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56484926
16952,COc1cccc2c1CN1CCc3cc(O)c(-c4cccc(C=O)c4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6270282
16953,COc1ccccc1N1CCN(CCN2CCC(c3ccc4cccc(O)c4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78050876
16954,COc1ccccc1N1CCN(COc2ccc(OCCn3cc(F)cn3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6717392
16955,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCCC(COc2ccc3c(c2)NC(=O)CC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.21498328
16956,Cc1cc(OCCN=S(C)(=O)O)ccc1OSCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.1569066
16957,Cc1cc(OCCNC(=O)c2ccc(Br)cc2)ccc1ON1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.09416748
16958,Cc1cc(OCCNCc2ccc(OC3CCCCC3)cc2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16075641
16959,Cc1cc(OCCSCCc2ccc(F)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.051254995
16960,Cc1cc2c(cc1-c1ccc(CO)cc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6954002
16961,Cc1ccc(COc2cc3c(cc2O)C2Cc4cccc(C)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4885199
16962,ClC1CCN(CCN2CCN(c3ccccc3-c3ncc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80528206
16963,FCCOc1cccc(CN2CCN(CCCc3cccs3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65622395
16964,Fc1ccc(-c2cc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)ccn2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76723725
16965,N#Cc1c[nH]c2ccc(-c3cc4c(cc3O)C3Cc5cccc(O)c5CN3CC4)cc12,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7077682
16966,O=C(NCc1cccc(CN2CCN(CCCCl)CC2)c1)c1cc2ccccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58905995
16967,O=C(Nc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2)c1cc2ccccc2[nH]1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.37742746
16968,Oc1cc2c(cc1O)C1Cc3cccc(-c4ccccc4OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54050994
16969,Oc1cc2c(cc1O)C1Cc3cccc(C(F)(F)F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7262471
16970,CCCOc1ccc(OC)c(CN(C)C(=O)C2CCN(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.54245245
16971,CCCOc1ccc(OCNS(C)(=O)=O)c(CNc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08229817
16972,CCCOc1ccc(ON2CCN(c3ccccc3OC)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32688987
16973,CCCOc1ccc(ONS(C)(=O)=O)c(NCc2ccc(CCC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06596206
16974,CCCOc1ccc(ONc2ccccc2OCC(F)(F)F)c(C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09373412
16975,CCCOc1ccc(OS(C)(=O)=O)c(-c2cccn2Cc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07992484
16976,CCCOc1ccc(OS(C)(=O)=O)c(-c2nc(C)cn2Cc2ccc(C(F)(F)F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.054951023
16977,CCCOc1ccc(OSC)c(CCC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.049610186
16978,CCCOc1ccccc1N1CCN(c2cc(OCCS(C)(=O)=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31801012
16979,CCCc1cccc2c1CN1CCc3cc(C)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6922453
16980,CCNCc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6213886
16981,CCON1CCN(CCNC(=O)c2ccc(OC)c(C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.24963869
16982,CCOc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6855517
16983,CCOc1ccccc1C1=CCN(Oc2ccc(OCCS(C)(=O)=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22456124
16984,CCc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7213455
16985,COCCCN1CCN(Cc2cccc(-c3cccc4c3NC(=O)CC4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57971984
16986,COCc1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6882244
16987,COOc1ccc(OCCNC(=O)Cc2ccccc2)cc1CN1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.13086091
16988,COc1cc2c(cc1CO)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8686489
16989,COc1cc2c(cc1O)C1Cc3cccc(-c4ccccc4COC(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62274957
16990,COc1cc2c(cc1O)C1Cc3cccc(C=C4CCCCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64752364
16991,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)OCc4ccc(C[N+](=O)[O-])cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34437287
16992,COc1cc2c(cc1OC)C1Cc3cccc(OCc4cccc([N+](=O)O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5787902
16993,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(cccc3OCC(F)(F)F)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.778105
16994,COc1ccc(COc2cc3c(cc2O)CCN2Cc4c(Cc5ccccc5)cccc4CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6718045
16995,COc1ccc(OCCCCC(=O)c2ccc(C)s2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.0584281
16996,COc1ccc(OCCCS(=O)(=O)c2ccccc2C(C)=O)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06411796
16997,COc1ccc(OCCN2CCCC(Cc3ccccc3)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5632543
16998,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1CN1CCC(S(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.13954145
16999,COc1ccc(OCCNC(C)=O)cc1NS(=O)(=O)C(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.016482832
17000,COc1ccc(OCCNCc2cccs2)cc1S(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.14680077
17001,COc1ccc(OCCNS(=O)(=O)c2cccc(C(C)C)c2)cc1OC(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.076675005
17002,COc1ccc(OCCNS(C)(=O)=O)cc1CCCc1ccc2c(c1)NC(=O)CCC2,[*]CCOc1ccc(O[*])c([*])c1,0.23646644
17003,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC2CC(Oc3ccccc3)CCCC2C1,[*]CCOc1ccc(O[*])c([*])c1,0.22240698
17004,COc1cccc(CN2CCN(CCCN3Cc4ccccc4C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7203508
17005,COc1cccc(NCc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5939758
17006,COc1ccccc1N1CCN(CCN2CCC(Cc3cnc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81976986
17007,COc1ccccc1N1CCN(CCN2CCC(OCc3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.89704734
17008,COc1ccccc1N1CCN(CCN2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75468117
17009,COc1ccccc1N1CCN(CCN2CCC(n3cc(-c4c[nH]c(O)c4)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8141245
17010,CSc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7185706
17011,Cc1cc(OCCF)ccc1ON1CCC(NS(=O)(=O)c2cc(Cl)ccc2F)C1,[*]CCOc1ccc(O[*])c([*])c1,0.32057816
17012,Cc1cc(OCCN2CC(C)Cc3ccccc32)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3103757
17013,Cc1cc(OCCN2CCC(C)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.46072844
17014,Cc1cc(OCCN2CCOCC2CCc2ccccc2)ccc1OS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.2265573
17015,Cc1cc(OCCNCCc2ccc(OC3CCCCC3)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.1447568
17016,Cc1cc(OCCNCc2ccccc2)ccc1OC1CCSO1,[*]CCOc1ccc(O[*])c([*])c1,0.26852646
17017,Cc1cc(OCCNc2ccc(F)c(OS(C)(=O)=O)c2)ccc1ON1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.08648015
17018,Cc1cc2c(cc1-c1ccccc1C#N)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5824864
17019,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccncc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67156756
17020,Cc1ccccc1OCC(=O)NCCOc1ccc(ONS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.024814613
17021,ClC1CCN(CCN2CCN(c3ccccc3-c3nc(-c4ccccc4)cs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6999416
17022,Clc1cccc(CN2CCN(CCCc3cc4ccccc4[nH]3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67879486
17023,Fc1ccc2cc(CCCN3CCN(Cc4cccc(Cl)c4)CC3)oc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.73225236
17024,O=C(Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2)c1c[nH]c2ccccc12,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3485036
17025,Oc1cc2c(cc1Nc1c(Cl)cccc1Cl)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58090264
17026,C=Cc1ccccc1OC1CCN(CCOc2ccc(ONS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.57212985
17027,CC(=O)c1ccc(C2(O)CCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.39259785
17028,CC(=O)c1ccc(CCCOc2ccc(ON=S(C)(=O)O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07496014
17029,CCCOc1ccc(OC)c(CN2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.87146264
17030,CCCOc1ccc(OCC(=O)c2ccc(F)cc2)c(NS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.042499036
17031,CCCOc1ccc(OCN)c(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38410744
17032,CCCOc1ccc(OOC(C)=O)c(NCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.039686956
17033,CCCOc1ccc(OOC)c(N2CCC(C)(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18828052
17034,CCCOc1ccc(OOC)c(N2CCC(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3365785
17035,CCCOc1ccc(OSC)c(N2CCN(c3ccccc3OCC(C)C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39482728
17036,CCOC(=O)c1cc2c(cc1OCc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45401996
17037,CCOc1cc(OCCCCCc2ccc(F)cc2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.09966707
17038,CCOc1ccccc1N1CCCN(Cc2cc(OCCOC)ccc2OCF)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7527085
17039,CCOc1ccccc1N1CCN(CCN2CCC(c3cc(O)nc4ccc(F)cc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73157054
17040,CCc1ccc(OC2CCN(Oc3ccc(OCCNS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.1968154
17041,CN(Cc1ccccc1)c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7192205
17042,CNCCCc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69406176
17043,CNOc1ccc(OCCN2CCC(Oc3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5478854
17044,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccccc4)nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7710789
17045,COC1CCN(CCN2CCN(c3ccccc3Cc3cccc(F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78878033
17046,COCCOc1ccc(OC)c(CN2CCC(C(C)=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36444417
17047,COCCOc1ccc(OC)c(N2CCC(Oc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4130184
17048,COc1cc2c(cc1Cc1ccc(OC)c3ccccc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75199825
17049,COc1cc2c(cc1N(C)C)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7342482
17050,COc1cc2c(cc1O)C1Cc3cccc(-c4cccc(NC=O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5063236
17051,COc1cc2c(cc1O)CCN1Cc3c(cccc3C3CCC(NOCc4ccccc4)C3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58649915
17052,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc(F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67688704
17053,COc1ccc(COc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.706086
17054,COc1ccc(OCCCN=O)cc1N1CCC(c2c(C)ccc3ccccc23)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.17074169
17055,COc1ccc(OCCF)cc1CN1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6350364
17056,COc1ccc(OCCN2CCOC(Cc3ccc(F)cc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.38764286
17057,COc1ccc(OCCSC)cc1-c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.101736926
17058,COc1ccc(OCCSC)cc1COc1ccccc1OC(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.118563555
17059,COc1ccc(OCCc2ccc(OC3CCNCC3)cc2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.26771626
17060,COc1ccc2[nH]c(C(=O)c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)cc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6116121
17061,COc1ccc2nc(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)c3ccccc3c2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7820959
17062,COc1cccc(CN2CCN(CCCC3Cc4ccccc4S3(=O)=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6722834
17063,COc1cccc(CN2CCN(CCCCNC(=O)c3ccc4ccc(OC)cc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6086523
17064,COc1cccc(CN2CCN(CCCN3CCc4c(cccc4-c4ccccc4)C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58832973
17065,COc1ccccc1N1CCN(COc2ccc(OCCN)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.68854856
17066,Cc1cc(OCCC(C)COc2ccc(F)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08150826
17067,Cc1cc(OCCF)ccc1ON1CCC(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.22831286
17068,Cc1cc(OCCN2CCC(Oc3ccc(CC4CCCC4)cc3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.46469104
17069,Cc1cc(OCCNCc2ccccn2)ccc1ON(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.11599247
17070,Cc1cc(OCCNS(=O)(=O)Cc2ccc(C(C)C)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.049942963
17071,Cc1ccccc1N1CCN(CCN2CCC(n3ccc(C=O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7074455
17072,Fc1ccc(-c2cnc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)o2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70435315
17073,O=C(CO)Oc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5453148
17074,O=C(NCCCCN1CCN(Cc2cccc(O)c2)CC1)C1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62204605
17075,O=C(c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)N1CCCCC1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.31235006
17076,O=C(c1ccc(O)nc1)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7210851
17077,O=c1cc(-c2cccc(CN3CCN(CCCCl)CC3)c2)c2ccccc2[nH]1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6652877
17078,Oc1cc2c(cc1OCC(F)(F)F)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.769213
17079,Oc1ccc2cc(O)n(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)c2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7402756
17080,Oc1ccc2ccc(OC3CCN(CCN4CCN(c5ccccc5OCCF)CC4)CC3)cc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7941563
17081,Oc1cccc2c1CN1CCc3cc(-c4ccccc4)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6848675
17082,CC(C)Oc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8266579
17083,CCCCc1ccc(C=CCCOc2ccc(ON=S(C)(=O)O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.075613566
17084,CCCOc1ccc(OC(O)COc2ccc3c(c2)NCCC3)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25526807
17085,CCCOc1ccc(OC)c(NS(=O)(=O)c2sccc2CC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1190502
17086,CCCOc1ccc(ON)c(NCCC2CCc3ccc(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.52918625
17087,CCCOc1ccc(ON2CCN(c3cccc(F)c3)CC2)c(OC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16256064
17088,CCCOc1ccc(ON=S(C)(=O)O)c(CCN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.763704
17089,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(Oc3ccc(CC4CCCC(=O)N4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19781667
17090,CCOC=Nc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6283053
17091,CCOCCCN1CCN(Cc2cccc(Cc3coc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5716801
17092,CCOc1ccc2ccc(OC3CCN(CCOc4ccc(OC)c(SC)c4)CC3)cc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.52417254
17093,CNc1ccc(-c2cc3c(cc2CO)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4520521
17094,COC1CCN(CCN2CCN(c3ccccc3CC3COc4ccc(O)cc4O3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64321667
17095,COc1cc2c(cc1-c1ccnc3ccccc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6564149
17096,COc1cc2c(cc1Cl)C1Cc3cccc(Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7406277
17097,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(C)c(C)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5408863
17098,COc1cc2c(cc1O)C1Cc3cccc(OC(=O)c4ccc5[nH]ccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4815635
17099,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3ccc(CC#N)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6398786
17100,COc1cc2c(cc1OC)C1Cc3cccc(-c4cc(CO)c5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6323559
17101,COc1ccc(-c2cc3c(cc2OC)CCN2Cc4c(cccc4OC)CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.753722
17102,COc1ccc(CCCN2CCN(Cc3cccc(CNC(=O)c4ccc5ccccc5c4)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.41626105
17103,COc1ccc(OCCCN)cc1Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.12273945
17104,COc1ccc(OCCNS(=O)(=O)c2ccc(C(C)C)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.07533872
17105,COc1ccc(OCCS(=O)(=O)N=O)cc1N1CCCC(Oc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.251015
17106,COc1ccc(OCCS(C)(=O)=O)cc1NCC1CCc2c(F)cccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.4415437
17107,COc1ccc(OCCS(N)(=O)=O)cc1C1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19041891
17108,COc1ccc(OCCS(N)(=O)=O)cc1N1CCC(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28622654
17109,COc1ccc(OCCSC)cc1CN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5071005
17110,COc1ccc(Oc2cc3c(cc2OC)CCN2Cc4c(cccc4OC)CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.803194
17111,COc1cccc(CN2CCN(CCCCNC(=O)C3(c4ccccc4)CCCC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49327236
17112,COc1cccc(S(=O)(=O)NC2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84537023
17113,COc1ccccc1C(=O)NC1CCN(CCN2CCN(c3ccccc3OCC(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8662745
17114,COc1ccccc1CCCN1CCN(Cc2cccc(-c3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6632624
17115,COc1ccccc1COCc1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7006887
17116,COc1ccccc1N1CCN(CCN2CCC(n3ccc(C)cc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82739496
17117,CSc1ccc(C(=O)N2CCN(Oc3ccc(OCCF)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.0626387
17118,CSc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccc4)c(C)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72669786
17119,C[SH](=O)(NCc1cccc(CN2CCN(CCCF)CC2)c1)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5652082
17120,Cc1cc(OCCN2CCC(Nc3ccc(F)cc3F)CC2)ccc1O[SH]=O,[*]CCOc1ccc(O[*])c([*])c1,0.5321706
17121,Cc1cc(OCCN2CCC(Oc3ccccc3C3CC3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6439076
17122,Cc1cc(OCCN2CCCC(Cc3cccc(C(F)(F)F)c3)C2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.51120424
17123,Cc1cc(OCCNCc2ccc(Cl)cc2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.18811916
17124,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCCC(Cc2ccc(OC3CCCC3=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.16610909
17125,Cc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1ccc([N+](=O)[O-])cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.1596921
17126,Cc1cccc(CN2CCN(CCCCn3ccccc3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6655616
17127,FC(F)(F)c1ccccc1N1CCN(CCN2CCC(Oc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8370609
17128,O=C(NCc1ccccc1N1CCN(CCN2CCC(F)CC2)CC1)c1ccccc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6886592
17129,O=S(=O)(NCc1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5163056
17130,O=c1cc2ccccc2cc(=O)n1-c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6733773
17131,OCc1cc2c(cc1O)CCN1Cc3c(cccc3OCCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58718634
17132,Oc1cc2c(cc1Cl)CCN1Cc3c(F)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75270975
17133,Oc1ccccc1N1CCN(CCN2CCC(Nc3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7382009
17134,Oc1nc2ccc(-c3cccc(CN4CCN(CCCCl)CC4)c3)cc2[nH]1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6622365
17135,C#Cc1cccc2c1CN1CCc3cc(O)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6958334
17136,CCC(=O)NCc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38221642
17137,CCCOc1ccc(OC(N)=O)c(N2CCN(CCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6513726
17138,CCCOc1ccc(OC)c(CNCC(=O)c2ccc(C(C)=O)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.024562223
17139,CCCOc1ccc(OCN2CCN(c3ccccc3F)CC2)c(N=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.504455
17140,CCCOc1ccc(ON2CCN(Cc3ccc(F)c(OC)c3)CC2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3649092
17141,CCCOc1ccc(ON=S(C)(=O)O)c(C=CC2CCc3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35352847
17142,CCCOc1ccc(ON=S(C)(=O)O)c(CCOc2ccc(C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.049592912
17143,CCCOc1ccc(ONc2ccccc2OCC)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09463879
17144,CCCOc1ccc(OOC)c(N2CCN(CC(=O)N3c4ccccc4CC3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4985365
17145,CCCOc1ccc(OS(C)(=O)=O)c(C(=O)COc2ccc3c(c2)NCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25114277
17146,CCCOc1ccc(OS(C)(=O)=O)c(N(C)Cc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1121941
17147,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Oc3ccc(CC4CNC(=O)C4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24027056
17148,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29657418
17149,CNCCOc1ccc(OC)c(CN2CCC(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6215276
17150,COC1CCN(CCN2CCN(c3ccccc3-c3cccc(C(F)(F)F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80124253
17151,COCCOc1ccc(OC)c(NC(=O)COc2cccc(CF)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.020378286
17152,COCCOc1ccc(ON2CCc3ccccc3C2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3947418
17153,COc1cc2c(cc1C(=O)Nc1cccc(C)c1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.30340374
17154,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc(Oc5ccccc5)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62442124
17155,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(cccc3[N+](=O)c3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6322427
17156,COc1ccc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c(Cl)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7806147
17157,COc1ccc(-c2cnn(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)c2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7405492
17158,COc1ccc(OCCCCCc2ccc3c(c2)NC(=O)CC3)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.163141
17159,COc1ccc(OCCCN)cc1N1CCN(c2cccc(C(F)(F)F)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.37296778
17160,COc1ccc(OCCCN=S(C)(=O)O)cc1NC(=O)COc1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.011675251
17161,COc1ccc(OCCN2CC=C(c3ccccc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.61818737
17162,COc1ccc(OCCN2CCC(NC(=O)c3ccc(C(C)C)cc3)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.44966474
17163,COc1ccc(OCCN2CCC(c3ccccc3OC3CCC3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.77401143
17164,COc1ccc(OCCNC(=O)COc2ccc(C(F)(F)F)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.01082815
17165,COc1ccc(OCCNS(=O)(=O)c2cc(C(C)=O)ccc2F)cc1N1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.2699825
17166,COc1ccc(OCCS(N)(=O)=O)cc1C(=O)Cc1ccc(OC2CCCCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.054244503
17167,COc1cccc(CCc2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68348694
17168,COc1cccc(COC(=O)c2cc3c(cc2OC)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3793507
17169,COc1cccc2c1CN1CCc3cc(-c4ccco4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7248211
17170,COc1ccccc1CC1CCN(CCOc2ccc(OC)c(OC)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.70683205
17171,COc1ccccc1CCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63380843
17172,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccccc3Oc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9125493
17173,COc1ccccc1N1CCN(CCN2CCC(n3ccc(C(=O)N(C)C)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7670259
17174,CSc1ccc(CC2CCCN(CCOc3ccc(ON)c(C)c3)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.44504932
17175,Cc1cc(OCCN2CCN(c3cc(F)ccc3CCF)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6149003
17176,Cc1cc(OCCN=S(C)(=O)O)ccc1Oc1cccs1,[*]CCOc1ccc(O[*])c([*])c1,0.05280665
17177,Cc1cc(OCCNCCc2cccc3c2CCC3)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.17345172
17178,Cc1cc(OCCNCc2ccc(OC3CCCC3)cc2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.1693942
17179,Cc1cc(OCCNS(=O)(=O)Cc2ccc(F)cc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.099760845
17180,Cc1cccc(CN2CCN(CCCc3cc(C=Cc4ccccc4)co3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6565533
17181,ClC1CCN(CCN2CCN(c3ccccc3NCc3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5323483
17182,ClCCCN1CCN(Cc2cccc(Cc3cc4ccccc4[nH]3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6840985
17183,Cn1cc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1O,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78001595
17184,N#CCCCN1CCN(Cc2cccc(CNS(=O)(=O)c3ccc(F)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5151243
17185,O=C(NCc1cccc(F)c1)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48233834
17186,O=C(NCc1ccccc1Cl)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43007433
17187,O=C1CCc2ccc(-c3cccc(CN4CCN(CCCC(F)(F)F)CC4)c3)cc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6718879
17188,O=c1ccn(CCCCN2CCN(Cc3cccc(F)c3)CC2)o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7254264
17189,Oc1cc(CC(O)c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c2ccccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6867965
17190,Oc1cccc2c1COC(c1cccc(CN3CCN(CCCCl)CC3)c1)C2,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64218
17191,C#Cc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73214215
17192,C=Cc1cc2c(cc1Br)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6413408
17193,CC(=O)c1ccc(C(=O)NCC2CCCN(COc3ccc(OCCF)cc3C)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.14353687
17194,CCCC1Cc2ccc(OCC(=O)CCOc3ccc(OC)c(SC)c3)cc2NC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.20999755
17195,CCCCCN1CCN(Cc2cccc(OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66510427
17196,CCCCN1CCC(c2cc(OCCC)ccc2OS(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.65809125
17197,CCCC[SH]1C=C(O)CCC1NC(=O)c1cc(OCCc2ccccc2OCC(C)C)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.15911305
17198,CCCOc1ccc(OCCCc2ccccc2)c(NC(=O)c2ccc(C(C)=O)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.058641046
17199,CCCOc1ccc(ON2CCN(C(=O)OC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.061697885
17200,CCCOc1ccc(OOC)c(CN2CCN(c3ccccn3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7737103
17201,CCCOc1ccc(OOC)c(N2CCC(Oc3ccccc3C=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3211558
17202,CCCOc1ccc(Oc2cc(C3CCCCC3)no2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18357626
17203,CCCc1ccc(S(=O)(=O)NCCOc2ccc(OC3CCCCN3)c(C)c2)s1,[*]CCOc1ccc(O[*])c([*])c1,0.09688835
17204,CCOc1ccccc1N1CCN(c2cc(OCCC=NOC)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3582805
17205,CCc1cccc2c1CN1CCc3cc(OC)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79025745
17206,CNCCOc1ccc(OCN2CCN(c3ccccc3OC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6891843
17207,COC(=O)Nc1cccc(-c2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34537813
17208,COC1CCN(CCN2CCN(c3ccccc3-c3cc(-c4ccc(F)cc4)ccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80693686
17209,COC1CCN(CCN2CCN(c3ccccc3-n3ccc(=O)c(C)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71405774
17210,COCCCN1CCN(Cc2cccc(CC(=O)c3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5781459
17211,COCCOc1ccc(ON2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22894676
17212,COOc1ccc(OCCNC(=O)CCc2ccc3c(c2)CC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.067682825
17213,COc1cc2c(cc1C1CCCN(C)C1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7991176
17214,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(OCCF)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6447344
17215,COc1cc2c(cc1O)CCN1Cc3c(cccc3O[N+](=O)c3ccc(C)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61369234
17216,COc1cc2c(cc1OC)C1Cc3cccc(OS(C)(=O)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7394624
17217,COc1cc2c(cc1O[N+](=O)c1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71263283
17218,COc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c(OC)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7345213
17219,COc1ccc(OCCCC(C)Oc2ccccc2N2CCCCC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.3542465
17220,COc1ccc(OCCN2CCC(Cc3ccc(F)cc3)CC2C)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.2725207
17221,COc1ccc(OCCN2CCC(c3cccc(C(F)(F)F)c3)CC2)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5659424
17222,COc1ccc(OCCN=S(C)(=O)O)cc1CN1CCC(NS(=O)(=O)c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.34218323
17223,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(C)N(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2146237
17224,COc1ccc(OCCNCc2ccc(F)cc2)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16156904
17225,COc1ccc(OCCNS(C)(=O)=O)cc1N1Cc2ccc(CC3CCCCC3)cc2CC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.18141375
17226,COc1ccc(OCCOS(C)(=O)=O)cc1NC(=O)Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.007728086
17227,COc1ccc(Oc2ccccc2N2CCN(CCN3CCC(C)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.839365
17228,COc1cccc(CCCN2CCN(Cc3cccc(Cl)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6736019
17229,COc1cccc(CNCCOc2ccc(OC(=O)NS(C)(=O)=O)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06594425
17230,COc1cccc(OC)c1C(=O)Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.40714276
17231,COc1cccc2c1CN1CCc3cc(-c4ccc5cccc(OC)c5c4OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64360553
17232,COc1cccc2c1CN1CCc3cc(CCNCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64085895
17233,COc1ccccc1CC1CCCN(CCOc2ccc(OC)c(S(C)(=O)=O)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.4122095
17234,COc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4cocn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8132944
17235,Cc1cc(OCCC(C)COc2ccccc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.086521156
17236,Cc1cc(OCCC(O)COc2ccc3c(c2)NC(=O)CC3)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.17317834
17237,Cc1cc(OCCF)ccc1ONCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.09387684
17238,Cc1cc(OCCN2CCC(NCc3ccccc3)C2=O)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.27030033
17239,Cc1cc(OCCNCc2ccc(OCC(F)(F)F)cc2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.18658745
17240,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27169392
17241,Fc1cccc(CN2CCN(CCCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7280997
17242,O=C(NCc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1cc2ccccc2nc1O,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66843146
17243,OCc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1Cl,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60988224
17244,Oc1cc2c(cc1O)C1Cc3cccc(Cc4cccc(C(F)(F)F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69922435
17245,Oc1cccc2c1CN1CCc3cc(-c4cn[nH]c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6726707
17246,CC(=O)NCCOc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46903142
17247,CC(C)c1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79454017
17248,CCCCN1CCN(Cc2cccc(OCF)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5660761
17249,CCCOc1ccc(OC(C)=O)c(N2CCCC(CCc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14664559
17250,CCCOc1ccc(OC)c(N2CCC(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3487359
17251,CCCOc1ccc(OCN2CCN(c3ccc(C)cc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.44395316
17252,CCCOc1ccc(OF)c(CN2CCN(CC(=O)OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23834331
17253,CCCOc1ccc(OOC)c(N2CCN(Cc3cc4ccccc4o3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8372363
17254,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(Cc3ccc4c(c3)NC(=O)CCC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30274698
17255,CCCOc1ccc(OSC)c(N2CCC(c3cccc(C(C)=O)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16427413
17256,COC1CCN(CCN2CCN(c3ccccc3NCC3CCc4cc(O)ccc4C3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.51172346
17257,COC1CCN(CCN2CCN(c3ccccc3NCC3COc4ccc(O)cc4O3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.43173409
17258,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc(NC(C)=O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6520759
17259,COCC(=O)NCCOc1ccc(OC)c(CS(=O)(=O)C2CCN(C=S(C)(=O)O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.070014395
17260,COCc1cccc2c1CN1CCc3cc(C)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7578223
17261,COOc1ccc(OCCN2CCC(NS(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5136497
17262,COc1cc(C(=O)NCCCN2CCN(Cc3cccc(Cl)c3)CC2)c(OC)c2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3351819
17263,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1cccc(O)n1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.287141
17264,COc1cc2c(cc1O)C1Cc3cccc(COCc4ccc(N(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.83148664
17265,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc(CO)c5ccccc45)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76042336
17266,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccccc3OC3CCNCC3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6587848
17267,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6668516
17268,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70762724
17269,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccccc1O[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.34083527
17270,COc1ccc(OCCCNC(=O)c2ccc(S(N)(=O)=O)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.0428815
17271,COc1ccc(OCCN2CCC(Cc3ccc(F)cc3)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5695011
17272,COc1ccc(OCCN2CCC(Oc3ccc(Br)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.52408606
17273,COc1ccc(OCCN2CCN(c3ccc(Cl)cc3)CC2)cc1C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.7729378
17274,COc1ccc(OCCN=S(C)(=O)O)cc1NC(=O)c1c(CC2CCCCC2)ccc2c1CCCC(=O)N2,[*]CCOc1ccc(O[*])c([*])c1,0.043800205
17275,COc1ccc(OCCN=S(C)(=O)O)cc1NCCc1ccccc1OC1CC2CCCC2C1,[*]CCOc1ccc(O[*])c([*])c1,0.11598782
17276,COc1ccc(OCCNS(=O)(=O)c2cccc(F)c2)cc1[SH](C)(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08990036
17277,COc1ccc(OCCS(=O)(=O)O)cc1N1CCC(C(=O)Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18265857
17278,COc1ccc2c(Oc3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)ccnc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7095926
17279,COc1cccc(CN2CCN(CCCC3C(=O)N(C(=O)c4ccccc4)c4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51490474
17280,COc1cccc(CN2CCN(CCCCNC(=O)c3ccc4c(c3)C(=O)N(c3ccccc3)C4=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5517282
17281,COc1cccc(CN2CCN(CCCCc3cccc(-c4ccccc4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.73230076
17282,COc1cccc2c1CN1CCc3cc(OC(F)(F)F)c(Oc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68553704
17283,COc1ccccc1-c1cc(C(=O)NCCN2CCN(S(=O)(=O)[O-])CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2545642
17284,COc1ccccc1N1CCN(CCN2CCC(C(=O)NC(=O)c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8233772
17285,COc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccccn4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8131732
17286,Cc1cc(OCCF)ccc1OC(=O)COc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.119560085
17287,Cc1cc(OCCN2CCC(c3ccc(OC4CCC(=O)NC4)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.618287
17288,Cc1cc(OCCN=S(=O)(O)O)ccc1ONCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.05454492
17289,Cc1cc(OCCNC(=O)c2cccc(C3CCNC3)c2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.069711894
17290,Cc1cc(OCCNS(C)(=O)=O)ccc1OC1CCN(CCc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.57203054
17291,Cc1cc(OCCc2ccc(F)cc2)ccc1OC(=O)C1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.09432209
17292,Cc1ccn2cc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)nc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7128133
17293,O=C(c1ccnc(O)c1)C1CCN(CCN2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.52355146
17294,OCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7372066
17295,Oc1cc2c(cc1-c1cc(Cl)cc(Cl)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.799491
17296,Oc1ccc(-c2ccccc2)nc1C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79219055
17297,Oc1nc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cn1Cc1ccc(F)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7482811
17298,C=CCOc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79249036
17299,C=NCCOc1ccc(OC)c(N2CCN(c3ccccc3OC(C)C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37568298
17300,CC(=O)c1ccc(OC2CCN(Oc3ccc(OCCS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.11775434
17301,CC(C)(C)c1cccc(CN2CCN(CCCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7237818
17302,CCC(C)(C)NCc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70481217
17303,CCCCN1CCN(Cc2cccc(S(=O)(=O)c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.40030023
17304,CCCCn1cc(CCOc2ccc(OOC)c(-c3ccccc3OC)c2)nn1,[*]CCOc1ccc(O[*])c([*])c1,0.1302621
17305,CCCOc1ccc(OCF)c(N2CCN(CC(=O)c3ccc(C)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24697478
17306,CCCOc1ccc(ON)c(N2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38344577
17307,CCCOc1ccc(OOC)c(C(F)CCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12582153
17308,CCCOc1ccc(OS(C)(=O)=O)c(CCCNC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0818226
17309,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(Cc3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33882666
17310,CCCOc1ccc(Oc2ccc(OCC)c(OC)c2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08994891
17311,CCOC1CCN(CCN2CCN(c3ccccc3C(O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6942921
17312,COCCOc1ccc(OC)c(CCN2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7767089
17313,COc1cc(Br)ccc1OCc1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76308537
17314,COc1cc2c(cc1-c1cccc3[nH]ccc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7594929
17315,COc1cc2c(cc1-c1ccn(C)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.688817
17316,COc1cc2c(cc1C#N)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7465569
17317,COc1cc2c(cc1O)C1Cc3cccc(CNc4ccc(C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46408337
17318,COc1cc2c(cc1OC)C1Cc3cccc(CNC(=O)c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43517902
17319,COc1cc2c(cc1OC)C1Cc3cccc(NC(=O)c4cccs4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.28073457
17320,COc1ccc(OCCCCc2ccccc2)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.82221675
17321,COc1ccc(OCCCN=S(C)(=O)O)cc1CCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.080330715
17322,COc1ccc(OCCN2CCC(c3cccc(C(C)OC(C)=O)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5059011
17323,COc1ccc(OCCN2CCN(Cc3ccccc3OCCF)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.4814215
17324,COc1ccc(OCCN=S(C)(=O)O)cc1CCOc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.054512985
17325,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(Oc2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22975041
17326,COc1ccc(OCCNS(=O)(=O)c2ccc(F)c(F)c2)cc1N1CSCC(C)C1,[*]CCOc1ccc(O[*])c([*])c1,0.13169017
17327,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Oc2ccc(C)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21268953
17328,COc1cccc(CN2CCN(CCCOc3ccc4nc(O)oc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5725483
17329,COc1cccc(CN2CCN(CCCc3ccc4nc(S)oc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63820595
17330,COc1cccc(Cc2cccc3c2CN2CCc4cc(O)c(Cl)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6600023
17331,COc1cccc2c1CN1CCc3cc(Cc4ccc(OC#N)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72178346
17332,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(Br)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81868297
17333,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cccc(OC)c3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8922142
17334,COc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccc(Cl)cc4)o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80907965
17335,COc1ccccc1N1CCN(CCN2CCC(c3ccc4occc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87151015
17336,CS(=O)(=O)NOc1ccc(OCCNCCc2ccc(F)cc2)cc1CN,[*]CCOc1ccc(O[*])c([*])c1,0.13246085
17337,CSOc1ccc(OCCN2CC=C(c3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.50219536
17338,CSc1ccc(CS(=O)(=O)Oc2ccc(OCCN3CCC(=O)NC3)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.31051
17339,CSc1ccccc1N1CCN(CCN2CCC(c3cc4ccccn4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71955854
17340,Cc1cc(OCCCN2CCN(C)CC2)ccc1ONC(=O)c1cccs1,[*]CCOc1ccc(O[*])c([*])c1,0.43893898
17341,Cc1cc(OCCF)ccc1OCNCC1CCN(C(=O)c2ccc(C(C)C)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.061979838
17342,Cc1cc(OCCN2CCC(Cc3ccccc3)CC2)ccc1OS(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.53271824
17343,Cc1cc(OCCN2CCCC(CCc3ccccc3)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.405068
17344,Cc1cc(OCCNC(=O)c2ccc(C(F)(F)F)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.012886933
17345,Cc1cc(OCCNCCc2ccc(F)cc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.17290598
17346,Cc1cc(OCCNCc2cccs2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.109932885
17347,Cc1ccccc1N1CCN(CCN2CCC(c3ccccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6868096
17348,ClC1CCN(CCN2CCN(c3ccccc3-c3ccc(N4CCCC4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6184278
17349,N#Cc1cccc(-c2cccc3c2CN2CCc4cc(Cc5ccccc5)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56016266
17350,N#Cc1cccc(Cc2cc3c(cc2OCc2ccccc2)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6880433
17351,O=C1N(CCCN2CCN(Cc3cccc(F)c3)CC2)CCN1c1cccc(Cl)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.685474
17352,O=C1Nc2ccccc2CC1CCCN1CCN(Cc2cccc(-c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56256783
17353,O=C1Nc2ccccc2OC1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6128912
17354,O=[N+]([O-])c1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccccc4)no3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.55575943
17355,Oc1cc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c2ccccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7252581
17356,Oc1cccn1C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8494442
17357,C#Cc1cccc(-c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7012157
17358,CC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4410573
17359,CCC(=O)c1csc(CCOc2ccc(OC)c(NS(C)(=O)=O)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.025723323
17360,CCCOc1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7253195
17361,CCCOc1ccc(OCCCc2ccccc2)c(N=S(C)(=O)O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10726447
17362,CCCOc1ccc(OCN2CCN(c3ccc(F)cc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6314257
17363,CCCOc1ccc(ON)c(CN2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.75694406
17364,CCCOc1ccc(ONS(C)(=O)=O)c(C(C)Cc2ccc(OC3CCCN3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13822028
17365,CCCOc1ccc(OS(C)(=O)=O)c(C(F)COc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24347487
17366,CCCOc1ccc(OS(C)(=O)=O)c(NCC2CCSc3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33727694
17367,CCCOc1ccc(OS(N)(=O)=O)c(-c2ccc(NC(C)=O)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.034127045
17368,CCCOc1ccc(OSC)c(NCCc2ccc3ccccc3c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12381055
17369,CCOC(=O)c1cccc(C2CCN(CCOc3ccc(OC)c(SC)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.45252788
17370,CCSc1ccccc1N1CCN(CCN2CCC(c3ccc(Cl)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6650132
17371,CCSc1ccccc1OCc1cc(OCCF)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.16607395
17372,CN=S(C)(=O)c1cc(OCCNCc2ccccc2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.2991034
17373,CNc1ccc(OCc2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68513554
17374,COC(=O)C1=CN(Cc2cc(OCCCC(=O)c3ccc(F)cc3)ccc2OC)CCC1,[*]CCOc1ccc(O[*])c([*])c1,0.15836477
17375,COC(=O)Nc1cccc(Cc2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3763332
17376,COC1CCN(CCN2CCN(c3ccccc3Oc3cccc(-c4ccc(O)nc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79759
17377,COc1cc2c(cc1-c1ccccc1)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69172853
17378,COc1cc2c(cc1C(=O)OCc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4957074
17379,COc1cc2c(cc1O)CCN1Cc3c(cccc3NC(=O)OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.288457
17380,COc1ccc(COc2cc3c(cc2OC)CCN2Cc4c(cccc4-c4cccc(C#N)c4)CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54924005
17381,COc1ccc(OCCC(C)=O)cc1N1CCC(Oc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23319922
17382,COc1ccc(OCCN2CCC(NC(=O)c3ccc(Cl)cc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.52654815
17383,COc1ccc(OCCN2CCC(Oc3ccc(F)cc3)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.56067973
17384,COc1ccc(OCCN2CCN(Cc3cccc(F)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.47019836
17385,COc1ccc(OCCN=S(C)(=O)O)cc1SCCc1ccc(CCOF)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.05081883
17386,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(O)C(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.27996352
17387,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCCC1Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.28311586
17388,COc1ccc(OCCS(N)(=O)=O)cc1NCCc1cccc2c1CCC(=O)N2,[*]CCOc1ccc(O[*])c([*])c1,0.13712825
17389,COc1cccc2c1CN1CCc3cc(OC(F)(F)F)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67023283
17390,COc1ccccc1N1CCN(CCN2CCC(O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8490802
17391,COc1ccccc1N1CCN(CCN2CCC(c3ccc(Br)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8523712
17392,COc1ccccc1N1CCN(CCN2CCC(n3ccc(F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8270203
17393,CSc1ccccc1N1CCN(CCN2CCC(n3c(O)nc4ccc(F)cc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7596368
17394,Cc1cc(OCCC=CCc2ccccc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.077907525
17395,Cc1cc(OCCCCOc2ccccc2C(C)C)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.076297306
17396,Cc1cc(OCCF)ccc1ONC(=O)C1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.22127259
17397,Cc1cc(OCCF)ccc1ONC(=O)c1ccc(C2CCN(C)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.19947985
17398,Cc1cc(OCCN2CCC(Cc3ccc4ccccc4c3)CC2)ccc1O[SH]=O,[*]CCOc1ccc(O[*])c([*])c1,0.51173514
17399,Cc1cc(OCCN2CCC(O)(c3ccc(F)cc3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5401417
17400,Cc1cc(OCCN2CCN(c3ccc(C(F)(F)F)c(CF)c3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.44607493
17401,Cc1cc(OCCNCc2ccccc2)ccc1ON1CCN(S(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21738659
17402,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(Oc2ccc3ccc(=O)ccc3c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2096971
17403,Clc1ccccc1N1CCN(CCN2CCC(c3ccc4ncccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.745441
17404,FCCCN1CCN(Cc2cccc(CNc3ccc4ccccc4n3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56834865
17405,Fc1ccc(-c2cccc(CN3CCN(CCCC(F)(F)F)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63415915
17406,O=C(C1CCCCC1)[N+](=O)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36151397
17407,O=C(CCCCN1CCN(Cc2cccc(F)c2)CC1)c1cccs1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6673055
17408,O=C(Nc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2)C1CC1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39666703
17409,O=C(Nc1cccc(CN2CCN(CCCc3ccc(Cl)cc3)CC2)c1)C1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3223756
17410,O=C1CC[SH](=O)(c2ccccc2)N1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5878654
17411,OCCCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65724885
17412,Oc1ccccc1N1CCN(CCN2CCC(n3nc(O)c4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6711399
17413,C#CN(C)c1ccc(COc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68852097
17414,C#Cc1ccccc1C(=O)NC1CCN(CCN2CCN(c3ccccc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67521006
17415,CC(=O)OOc1ccc(OCCNCc2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.068017185
17416,CCCOCOc1ccc(OCCOC)cc1CN1CCCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.69968283
17417,CCCOc1ccc(OC)c(NS(=O)(=O)c2ccc(C(=O)N(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.020669976
17418,CCCOc1ccc(OCCN2CCN(c3ccc(F)cc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8406798
17419,CCCOc1ccc(ON2CCCN(c3ccccc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33236384
17420,CCCOc1ccc(ONC(=O)c2ccccc2C)c(N(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.057316143
17421,CCCOc1ccc(OS(N)(=O)=O)c(N2CCCC(Cc3ccc(Cl)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24677737
17422,CCNCc1cc2c(cc1O)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4866774
17423,CCOc1ccccc1C1CCN(Oc2ccc(OCCNS(C)(=O)=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.33235046
17424,CCS(=O)Oc1ccc(OCCN2CCC(c3ccccc3OC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.60194767
17425,CN1CCN(CCNC(=O)c2ccc(F)c(-c3ccccc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33453816
17426,CNCc1ccccc1S(=O)(=O)NOc1ccc(OCCF)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.0797389
17427,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccnc(-c4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4811609
17428,COCCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7072266
17429,COCCCN1CCN(Cc2cccc(-c3cccc(NS(C)(=O)=O)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46010253
17430,COCCOc1ccc(OC)c(CCOc2cccc(F)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15104425
17431,COOc1ccc(OCCC(C)CCc2ccc3c(c2)CC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.19867794
17432,COc1cc2c(cc1-c1cccc(C)c1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76113766
17433,COc1cc2c(cc1Cc1cccc([N+](=O)C(=O)O)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46316478
17434,COc1cc2c(cc1O)C1Cc3cccc(-c4cccc(SC)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5454862
17435,COc1cc2c(cc1O)C1Cc3cccc(Oc4cccc(C)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7192163
17436,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)NCc3ccccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4839288
17437,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3cccc4ccccc34)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7705036
17438,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(cccc3-c3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6908921
17439,COc1ccc(OCCCCNC(=O)c2ccc(C(C)=O)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.041857492
17440,COc1ccc(OCCCO)cc1N1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3627428
17441,COc1ccc(OCCCc2ccc(C(C)=O)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.04985027
17442,COc1ccc(OCCF)cc1NC(=O)C1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21436904
17443,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)CCC(=O)N4)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.54365677
17444,COc1ccc(OCCNS(C)(=O)=O)cc1COCC1CCCc2c(F)cccc21,[*]CCOc1ccc(O[*])c([*])c1,0.22732028
17445,COc1cccc(CN2CCN(CCCCN3C(=O)Cc4ccccc4C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7220898
17446,COc1ccccc1-c1cc(C(=O)NCCN2CCN(F)CC2)ccc1C(=O)O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.38969147
17447,COc1ccccc1C1CCCN(CCOc2ccc(ONS(C)(=O)=O)c(C)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.49858344
17448,COc1ccccc1N1CCN(CCN2CCC(CCc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83313996
17449,CSOc1ccc(OCCNC(=O)Cc2ccc3c(c2)N(C)C(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.07015667
17450,CSc1ccc(C(=O)NCCOc2ccc(ON3CCNCC3)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.071417764
17451,CSc1ccccc1N1CCN(CCN2CCC(c3cc4ccccc4[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7432525
17452,CSc1ccccc1S(=O)(=O)NOc1ccc(OCCNC(=O)COc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.017657366
17453,Cc1cc(OCCN2CCC(COc3ccc4c(c3)C(=O)NCC4)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6238341
17454,Cc1cc(OCCN2CCCC(OCc3ccccc3)C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.37835294
17455,Cc1cc(OCCN2CCOC(Cc3ccc4ccccc4c3)C2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.4323406
17456,Cc1cc(OCCNC(=O)Cc2ccc(F)cc2)ccc1ON1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.07979206
17457,Cc1cc(OCCNCc2cccs2)ccc1ONS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.0521643
17458,Cc1cc(OCCS(C)(=O)=O)ccc1OCC1CC(=O)c2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.17268518
17459,Cc1cccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2O)c1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.25582325
17460,Cc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccc(F)cc4)no3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69584596
17461,Clc1cccc(CN2CCN(CCCc3ccco3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6166452
17462,Fc1ccc2c(c1)NC(c1cccc(CN3CCN(CCCCl)CC3)c1)=CC2,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67947656
17463,Fc1ccc2oc(C3CCN(CCN4CCN(c5ccccc5Cl)CC4)CC3)cc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72600293
17464,N#CC1CCN(CCN2CCN(c3ccccc3S(=O)(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6980452
17465,O=C(Oc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2)c1c[nH]c2ccccc12,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3836586
17466,Oc1cc2c(cc1-c1cccc(CNc3ccccc3)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51621485
17467,C#Cc1cccc(-c2ccc(C(=O)NCCN3CCN(O)CC3)cc2OC)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.24389653
17468,CC(=O)c1ccc(CCN2CCN(c3cc(OCCF)ccc3ONS(C)(=O)=O)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.6252165
17469,CC(C)(C)CCCN1CCN(Cc2cccc(N3C(=O)c4ccccc4C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58131504
17470,CC1CCN(CCN2CCN(c3ccccc3S(=O)(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6509989
17471,CC=CC(=O)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4367511
17472,CCCOc1ccc(OC)c(NC(=O)C2CCN(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33747363
17473,CCCOc1ccc(OF)c(-c2ccc(NC(C)=O)cc2S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.02857024
17474,CCCOc1ccc(ON)c(-c2ccc(C(=O)c3ccccc3)nc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06115246
17475,CCCOc1ccc(ON=S(C)(=O)O)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6161492
17476,CCCOc1ccc(ONS(C)(=O)=O)c(NCCCc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1714387
17477,CCOc1ccccc1N1CCN(CCN2CCC(C(=O)c3cc(O)nc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64384264
17478,CCOc1ccccc1N1CCN(Oc2ccc(OCCS(C)(=O)=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.26085725
17479,CN(C)c1ccccc1-c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7374611
17480,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4cccnc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77397025
17481,COC1CCN(CCN2CCN(c3ccccc3CCOCC#Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73856074
17482,COC1CCN(CCN2CCN(c3ccccc3Cc3cccc4ccc(O)nc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7122849
17483,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4c(c3)N=C(O)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8067923
17484,COCCCN1CCN(Cc2cccc(Cc3ccc4c(c3)NC(=O)CC4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6658369
17485,COCCOc1ccc(OC(=O)N2CCN(c3ccccc3OC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07709495
17486,COCCOc1ccc(OCNc2cc3c(cc2OC)NC(=O)CC3)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16002828
17487,CON1CCN(CCNC(=O)c2ccc(C)c(-c3ccccc3N)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26938477
17488,COOc1ccc(OCCC=CCOc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.23012234
17489,COc1cc2c(cc1C(C)Cc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7425087
17490,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccccc4C=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6936298
17491,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1cccc(OC)c1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27461576
17492,COc1ccc(COc2cc3c(cc2CO)CCN2Cc4c(cccc4OC)CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6943408
17493,COc1ccc(Cl)c(Cc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6997031
17494,COc1ccc(OCCCF)cc1C(=O)NCC1CCN(c2ccc(Cl)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2184904
17495,COc1ccc(OCCCN2CCCCC2)cc1Cc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.5661476
17496,COc1ccc(OCCN(C)C)cc1N1CCC(OC(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2126935
17497,COc1ccc(OCCN2CCCCC2)cc1S(=O)(=O)N(C)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.27867308
17498,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(c2ccc(NS(C)(=O)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21632771
17499,COc1ccc(OCCNC(=O)Cc2ccc3c(c2)N(C)C(=O)CC3)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.09633328
17500,COc1ccc(OCCNC(C)=O)cc1CN1CCC(C(=O)c2ccc(SC)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3607211
17501,COc1ccc(OCCNC(C)=O)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.027732145
17502,COc1ccc(OCCS(C)(=O)=O)cc1N1CC2CCC(C1)NC(=O)C2,[*]CCOc1ccc(O[*])c([*])c1,0.19835384
17503,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Nc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.33474934
17504,COc1cccc(CN2CCN(CCCc3coc4ccccc4c3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5859908
17505,COc1cccc2c1CN1CCc3cc(Sc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6948528
17506,COc1ccccc1N1CCN(CCN2CCC(n3ccc(C)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8541915
17507,CSc1ccccc1N1CCN(CCN2CCC(c3ccncc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77250993
17508,CSc1ccccc1N1CCN(CCN2CCC(c3cnc(-c4ccc(Cl)cc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75448227
17509,Cc1cc(OCCC(=O)COc2ccc3c(c2)N(C)C(=O)CC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.15143847
17510,Cc1cc(OCCN2CCC=C(Cc3ccc4ccccc4c3)C2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.22529875
17511,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(Cc2ccccc2OC2CC2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1505978
17512,Cc1cc(OCCNC(=O)c2ccc(CC3CCNCC3)cc2)ccc1O[SH]=O,[*]CCOc1ccc(O[*])c([*])c1,0.056211453
17513,Cc1ccccc1N1CCN(CCN2CCC(Nc3cccnc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4407547
17514,Fc1ccc(-c2ncc(Cc3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)o2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7423875
17515,N#CCCCN1CCN(Cc2cccc(-c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.73900634
17516,N#Cc1cccc2c1CN1CCc3cc(O)c(Oc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7371611
17517,O=C(CCCCN1CCN(Cc2cccc(Cl)c2)CC1)N1Cc2ccccc2C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61531615
17518,O=C(NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)c1cccc(C(F)(F)F)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7640299
17519,O=C(NCCCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1)C1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6222027
17520,Oc1cccc2c1CN1CCc3cc(OCC(F)(F)F)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7170718
17521,CC(=O)c1cc(CC2CCCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)C2)ccc1OC1CCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.24424449
17522,CC(C)C(=O)Nc1cccc(CCCN2CCN(Cc3cccc(-c4ccccc4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.35584205
17523,CC=Cc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70559305
17524,CCC(=O)CCOc1ccc(OC)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03727031
17525,CCCCN1CCN(Cc2cccc(Oc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5550608
17526,CCCCOc1ccc(OOC)c(N2CCN(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27859738
17527,CCCN=Cc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63454187
17528,CCCOc1ccc(OC)c(S(=O)(=O)C2CCCN(Cc3ccc(SC)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2939806
17529,CCCOc1ccc(ON)c(-c2ccccc2OCC(F)(F)F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16458799
17530,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(Cc3ccc4ccc(OC)cc4c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31196895
17531,CCCOc1ccc(OSC)c(SNc2ccccc2OCC(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07092948
17532,CCOC1CCN(CCN2CCN(c3ccccc3-n3c(O)nc4c(F)cccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68072975
17533,CCOc1ccccc1N1CCN(CCN2CCC(c3cccc(C(F)(F)F)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73090035
17534,CCc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(OC)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6893987
17535,COC(=O)c1ccc2[nH]cc(Cc3cccc4c3CN3CCc5cc(O)c(OC)cc5C3C4)c2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5017849
17536,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(NC(C)=O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5534028
17537,COC1CCN(CCN2CCN(c3ccccc3-c3nc(O)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7392133
17538,COC1CCN(CCN2CCN(c3ccccc3-c3nn(C)c4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68039036
17539,COC1CCN(CCN2CCN(c3ccccc3-n3cc(Br)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.781935
17540,COCCCN1CCN(Cc2cccc(C(=O)c3ccccc3OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.42844692
17541,COc1c(-c2cccc(CN3CCN(CCCF)CC3)c2)ccc2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6292217
17542,COc1c(C)cccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1C=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27926672
17543,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccccc1OCC[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.34157786
17544,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc(CN(C)C)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6689713
17545,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccn(C)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7061424
17546,COc1cc2c(cc1O)CCN1Cc3c(cccc3OC(=O)OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49449196
17547,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)Oc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50870043
17548,COc1cc2c(cc1OC)C1Cc3cccc(OCc4ccccc4C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7534654
17549,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccccc1S(=O)(=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27251384
17550,COc1ccc(OCCC2CCN(CCc3ccccc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6156876
17551,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.046479434
17552,COc1ccc(OCCS(C)(=O)=O)cc1-c1ccc(CC(F)(F)F)nc1,[*]CCOc1ccc(O[*])c([*])c1,0.04783918
17553,COc1ccc(OCCS(C)(=O)=O)cc1C1CCN(CC2CC2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5563854
17554,COc1ccc(OCCS(C)(=O)=O)cc1CCc1c(CC2CCCCC2)c2ccccc2sc1=O,[*]CCOc1ccc(O[*])c([*])c1,0.10931561
17555,COc1ccc(OCCS(C)(=O)=O)cc1CN1CCCC(c2ccc(Cl)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.40135634
17556,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Cc2ccc3c(c2)C(=O)NCC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.36753625
17557,COc1ccc(OCCc2ccc(S(=O)(=O)C3CCCCC3)cc2)cc1OC(=O)C1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.05912236
17558,COc1ccc2ccc(CC3CCCN(CCOc4ccc(ONS(C)(=O)=O)c(C)c4)C3)cc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.33723173
17559,COc1cccc(CN2CCN(CCCc3cc(-c4ccccc4OC)co3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54058444
17560,COc1cccc2c1CN1CCc3cc(-c4cccc(O)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7342488
17561,COc1cccc2c1CN1CCc3cc(C#N)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75061387
17562,CSOc1ccc(OCCN2CCC(NC(=O)c3ccc(F)c(F)c3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.4456045
17563,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCS4)CC2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.53424567
17564,Cc1ccc(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)nc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71907014
17565,Cc1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1C,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5812
17566,Cc1cccc(CN2CCN(CCCC(=O)c3nc4ccccc4s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53706706
17567,Fc1ccc(-c2ccc(F)c(C3CCN(CCN4CCN(c5ccccc5F)CC4)CC3)n2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6516845
17568,N#Cc1cccc(-c2cc3c(cc2OCc2ccccc2)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63472545
17569,NCCOc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7722218
17570,O=C(NCCCCN1CCN(Cc2cccc(Oc3ccccc3)c2)CC1)C1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.583107
17571,O=C(NCCCN1CCN(Cc2cccc(F)c2)CC1)c1cc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.42376196
17572,O=C(NCc1ccccc1Cl)c1cc2c(cc1O)C1Cc3cccc(CO)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40412238
17573,O=C(Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)c1ccc(Br)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3440356
17574,Oc1cccc2cc(Cc3cccc(CN4CCN(CCCCl)CC4)c3)oc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6593584
17575,CC(C)c1ccccc1N1CCN(CCN2CCC(Oc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6886629
17576,CCCOC(=O)c1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5992566
17577,CCCOc1ccc(OC(N)=O)c(CCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.060584497
17578,CCCOc1ccc(OC)c(CN2CCC(NS(=O)(=O)c3cccc(Cl)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.515728
17579,CCCOc1ccc(OC=O)c(N2CCCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27353328
17580,CCCOc1ccc(ON2CCN(C(=O)OC)CC2)c(CF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.064955465
17581,CCCOc1ccc(ON2CCN(C=O)CC2)c(NCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19744307
17582,CCCOc1ccc(OS(C)(=O)=O)c(Cn2cccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12679888
17583,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3ccc(OC4CCC(=O)CC4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29633203
17584,CCCOc1ccc(Oc2ccc(F)cc2)c(C(=O)OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.024284566
17585,CCOc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70506185
17586,CCOc1ccccc1N1CCN(CCOc2ccc(OO)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6752238
17587,COC1CCN(CCN2CCN(c3ccccc3-c3ccc4c(c3)C(=O)NCC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75788975
17588,COC1CCN(CCN2CCN(c3ccccc3C34C=C(O)C=CC3=NC(O)=N4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6230291
17589,COCCCN1CCN(Cc2cccc(-c3cccc4occc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5993344
17590,COCCOc1ccc(OC)c(N2CCC(C(=O)c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1880661
17591,CON1CCN(CCNC(=O)c2ccc(O)c(-c3ccc(Cl)cc3Cl)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3014456
17592,COc1cc2c(cc1-c1ccc([N+](=O)[O-])cc1C)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5476974
17593,COc1cc2c(cc1Cc1cccc(C#N)c1)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6985586
17594,COc1cc2c(cc1Cc1ccccc1)CCN1Cc3c(CO)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74454707
17595,COc1cc2c(cc1Cl)CCN1Cc3c(cccc3OCCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6661542
17596,COc1cc2c(cc1Cn1ccc(CO)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6303921
17597,COc1cc2c(cc1O)C1Cc3cccc(CNc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52245533
17598,COc1cc2c(cc1O)C1Cc3cccc(NC(=O)c4cccs4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3546723
17599,COc1cc2c(cc1O)C1Cc3cccc(OCc4cccc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77542084
17600,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(OC)c3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71754384
17601,COc1cc2c(cc1OC)C(=O)N(CCOc1ccc(ON=S(C)(=O)O)c(C)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.2438162
17602,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(C(=O)c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45808184
17603,COc1ccc(OCCC(N)=O)cc1-c1ccccc1OCC(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.042401712
17604,COc1ccc(OCCC(N)=O)cc1C1CC(c2ccc(F)cc2)CCN1CF,[*]CCOc1ccc(O[*])c([*])c1,0.21167147
17605,COc1ccc(OCCC(N)=O)cc1CN1CCC(c2ccccc2CCF)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.45038074
17606,COc1ccc(OCCCOc2ccccc2)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.12400075
17607,COc1ccc(OCCN2CCC(c3ccccc3OC3CCS3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6360799
17608,COc1ccc(OCCNCc2ccccc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.31810468
17609,COc1ccc(OCCNS(C)(=O)=O)cc1CCCc1ccc2c(c1)NC(C)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.3712197
17610,COc1ccc(OCCNS(C)(=O)=O)cc1CN1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.26515758
17611,COc1ccc(OCCS(C)(=O)=O)cc1CCOc1cccc(C(F)(F)F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.094133995
17612,COc1cccc(-c2cc3c(cc2OC)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7044766
17613,COc1cccc(-c2cccc(CN3CCN(CCCN4CCCCC4)CC3)c2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46721056
17614,COc1cccc(CN2CCN(CCCN3CCCCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6068881
17615,COc1cccc2c1CN1CCc3cc(C)c(CO)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6047107
17616,COc1cccc2ccc(C(=O)NCCCCN3CCN(Cc4cccc(Cl)c4)CC3)cc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.588123
17617,COc1ccccc1-c1ccc(CCCCN2CCN(Cc3cccc(Cl)c3)CC2)o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64476585
17618,COc1ccccc1NC(=O)CCCOc1ccc(OC)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.016429747
17619,Cc1cc(OCCN2CCC(Oc3ccc(CC(F)(F)F)cc3)CC2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5097092
17620,Cc1cc(OCCNC(=O)C2(C)CCN(Cc3ccccc3)CC2)ccc1OF,[*]CCOc1ccc(O[*])c([*])c1,0.25441217
17621,Cc1cc(OCCNCc2ccc(C=O)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.13291879
17622,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(c2ccc(CC(=O)O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.13581857
17623,Cc1cc(OCCOC(=O)CCc2ccc3c(c2)NCCC3)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07461621
17624,Cc1ccc(C(=O)NCCN2CCN([N+](=O)[O-])CC2)cc1-c1ccc(O)o1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.13893054
17625,Cc1ccccc1N1CCN(CCN2CCC(CCCC(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68019664
17626,ClC1CCN(CCN2CCN(c3ccccc3Oc3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8065363
17627,Clc1ccccc1N1CCN(CCN2CCC(c3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8331974
17628,Fc1cccc(CN2CCN(CCCCc3cc(-c4ccccc4)cs3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70271915
17629,NC(=O)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40512446
17630,O=[N+]([O-])c1ccc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51419896
17631,Oc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(CNc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5462236
17632,CC1CCN(CCN2CCN(c3ccccc3-n3cnc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.55743736
17633,CCCN1CCCC1Cc1cc(OCCF)ccc1OOC,[*]CCOc1ccc(O[*])c([*])c1,0.40563115
17634,CCCOc1ccc(OC)c(CN2CCN(C(C)c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.47693604
17635,CCCOc1ccc(OCCCc2ccco2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08597594
17636,CCCOc1ccc(OCc2ccc(Cl)cc2)c(CC(=O)OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03021134
17637,CCCOc1ccc(ON2CCN(c3ccc(Cl)cc3)CC2)c(OCC=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3142305
17638,CCCOc1ccc(OOS(C)(=O)=O)c(CC(C)Cc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22394
17639,CCCOc1ccc(OS(C)(=O)=O)c(C(C)Cc2ccc(OC3CCCCN3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24242024
17640,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3ccc(OC4CCCC4)c(Cl)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26617476
17641,CCCOc1ccc(OS(C)(=O)=O)c(OC2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19117679
17642,CCCc1ccc(OC)cc1-c1cc(OCCOS(C)(=O)=O)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.08077054
17643,CCOCCCN1CCN(Cc2cccc(CNC(=O)c3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.40736735
17644,CCc1cccc2c1CCC(CNc1cc(OCCNS(C)(=O)=O)ccc1OC)C2,[*]CCOc1ccc(O[*])c([*])c1,0.45645562
17645,COC1CCN(CCN2CCN(c3ccccc3-n3ccc4cc(O)ccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7583501
17646,COC1CCN(CCN2CCN(c3ccccc3C3=Cc4cc(ccccco4)C=N3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.63417846
17647,COCCCN1CCN(Cc2cccc(Cc3cc(-c4ccccc4)no3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55953026
17648,COCCOc1ccc(OCN2CCN(c3ccc(Cl)cc3)CC2CF)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32809812
17649,COCCOc1ccc(ON2CCN(c3ccccc3O)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25644183
17650,COc1cc(C(=O)NCCN2CCN([N+](=O)[O-])CC2)ccc1-c1ccccc1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.24876939
17651,COc1cc2c(cc1O)C1Cc3cccc(CCNC(C)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51264656
17652,COc1cc2c(cc1O)CCN1Cc3c(CNc4cccc([N+](=O)[O-])c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43455234
17653,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3ccc(OC)c(OC)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.660683
17654,COc1cc2c(cc1OC(=O)Nc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3800615
17655,COc1cc2c(cc1OCc1ccc(C)cn1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6503108
17656,COc1ccc(OCCC(N)=O)cc1N1CCN(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.175673
17657,COc1ccc(OCCCN2CCC(c3cccc(C(C)=O)c3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.67985827
17658,COc1ccc(OCCF)cc1NS(=O)(=O)c1cc(NC(C)=O)ccc1C(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.022891497
17659,COc1ccc(OCCN2CCC(Oc3ccc4coc(=O)cc4c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.46516252
17660,COc1ccc(OCCN2CCCC(Cc3ccc(F)cc3)C2)cc1OS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.47429633
17661,COc1ccc(OCCNC(=O)COc2ccccc2C)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.02087037
17662,COc1ccc(OCCNCC2CCCNC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06925456
17663,COc1ccc(OCCNS(C)(=O)=O)cc1C1CCN(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.48949924
17664,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(CCc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31827214
17665,COc1ccc(OCCS(=O)(=O)c2ccccc2C(C)C)cc1[SH]1CCNC(=O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.10498721
17666,COc1cccc(CN2CCN(CCCC3Oc4ccccc4NC3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55646074
17667,COc1cccc2c1CN1CCc3cc(CC4=CCc5ccccc5C=C4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56089664
17668,COc1cccc2c1CN1CCc3cc(N)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78245574
17669,COc1cccc2c1CN1CCc3cc(O)c(OC(C)=O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5325597
17670,COc1ccccc1-c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6173008
17671,COc1ccccc1C1CCN(CCCOc2ccc(ON=S(C)(=O)O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6373316
17672,Cc1cc(OCCN2CCC(c3ccc(CS(C)(=O)=O)cc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.64285505
17673,Cc1cc(OCCN2CCC(c3ccc(OC4CCC(=O)NC4)cc3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.62213457
17674,Cc1cc(OCCN2CCCC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.38286006
17675,Cc1cc(OCCOS(C)(=O)=O)ccc1OC1CCN(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5008893
17676,ClCCCN1CCN(Cc2cccc(C3Cc4ccccc4N3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60911906
17677,Clc1ccccc1N1CCN(CCN2CCC(c3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81441593
17678,FCCOc1cccc(CN2CCN(CCCc3cc4ccccc4s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6641513
17679,Fc1ccc2nc(C3CCN(CCN4CCN(c5ccccc5C(F)(F)F)CC4)CC3)ccc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7364955
17680,Fc1cnc(Oc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)nc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83508885
17681,N#CC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7601025
17682,O=C1COC(=O)N1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6189401
17683,O=C1CSc2ccccc2N1Cc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59562385
17684,O=S1(=O)c2ccccc2CCN1c1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.71399534
17685,O=c1ccc(C(F)(F)F)cn1CCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64484
17686,C#Cc1cc2c(cc1CO)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63449126
17687,CC(=O)Oc1cccc(CN2CCN(CCCc3ccc4ccccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.36188224
17688,CC=CCONc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5446518
17689,CCCCN1CCN(Cc2cccc(NC(=O)c3ccc4ccccc4c3OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3018964
17690,CCCOc1ccc(OC#N)c(N2CCN(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40025288
17691,CCCOc1ccc(OC(=O)COc2ccccc2)c(N2CCCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.081600875
17692,CCCOc1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cc2cccc(NC(C)=O)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.008004414
17693,CCCOc1ccc(OCN2CCN(c3ccccc3OC)CC2)c(SO)c1,[*]CCOc1ccc(O[*])c([*])c1,0.72656333
17694,CCCOc1ccc(OO)c(N2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28401414
17695,CCCOc1ccc(OOC)c(C2CCN(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13145569
17696,CCCOc1ccc(OS(N)(=O)=O)c(C(C)COc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21878311
17697,CCCc1ccc(CS(=O)(=O)NCCOc2ccc(OS(C)(=O)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.11508091
17698,CCOC(=O)Nc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.30401158
17699,CCOc1cccc(CN2CCN(CCCCn3c(O)cc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63454044
17700,CCOc1cccc2c1CN1CCc3cc(C)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63125926
17701,CCc1ccccc1C1CCN(c2cc(OCCSC)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22697745
17702,COC(=O)N(c1cccc(CN2CCN(CCCCl)CC2)c1)C1Cc2ccccc2C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5847026
17703,COC1CCN(CCN2CCN(c3ccccc3-c3cc[nH]c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79903585
17704,COOc1ccc(OCCCOc2ccc(F)cc2)cc1CC(F)N1CCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.33395678
17705,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccc([N+]([O-])[O-])cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.19470002
17706,COc1cc2c(cc1-c1cccc(NC(C)=O)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.27255902
17707,COc1cc2c(cc1O)CCN1Cc3c(cccc3NC(C)CO)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4997876
17708,COc1cc2c(cc1OC)C1Cc3cccc(CC(F)(F)F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8411405
17709,COc1cc2c(cc1OC)C1Cc3cccc(Cc4cccc(F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70087194
17710,COc1ccc(CC(=O)Oc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5581779
17711,COc1ccc(OCCC(C)C)cc1NS(=O)(=O)c1cc(C(C)C)ccc1C(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.021610606
17712,COc1ccc(OCCN2CCCC(CCc3ccc(F)cc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.46331328
17713,COc1ccc(OCCN=S(C)(=O)O)cc1NCc1cccs1,[*]CCOc1ccc(O[*])c([*])c1,0.043201067
17714,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1CN1CCC(=O)NC1,[*]CCOc1ccc(O[*])c([*])c1,0.13716593
17715,COc1ccc(OCCNCc2ccccc2)cc1N=S(=O)(O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.2658989
17716,COc1ccc(OCCOS(C)(=O)=O)cc1CCCc1cc2ccccc2s1,[*]CCOc1ccc(O[*])c([*])c1,0.14607333
17717,COc1ccc(OCCS(C)(=N)=O)cc1N1CCC(Cc2ccccc2OC2CCCC2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2938396
17718,COc1ccc(OCCS(C)(=O)=O)cc1NC(=O)Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.007738596
17719,COc1ccc(OCCSC)cc1N1CCCN(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2634775
17720,COc1cccc(CN2CCN(CCCC3CC3c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5710668
17721,COc1cccc(CN2CCN(CCCCNC(=O)OC(C)(C)C)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5673872
17722,COc1cccc2c1CN1CCc3cc(OCC(F)(F)F)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.701914
17723,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(OC)CC2)cc1C(C)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.38556796
17724,Cc1cc(OCCN2CCC(Oc3ccc4c(c3)NC(=O)CC4)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.56026024
17725,Cc1cc(OCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.7606322
17726,Cc1cc(OCCNC(=O)c2cccs2)ccc1OCN1CCC(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22242114
17727,Cc1cc(OCCNCc2cc3ccccc3o2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.14077708
17728,Cc1cc2c(cc1OCc1ccco1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68378025
17729,Clc1ccccc1N1CCN(CCN2CCC(Oc3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8201491
17730,Clc1ccccc1N1CCN(CCN2CCC(c3coc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75659096
17731,N#Cc1ccccc1N1CCN(CCN2CCC(c3ccc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79409426
17732,O=C(NCCN1CCN(F)CC1)c1ccc(O)c(-c2cccc(Cl)c2Cl)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.36534923
17733,O=C(c1ccc(F)cc1)C1CCN(CCN2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5756552
17734,O=C1COc2ccc(-c3cccc(CN4CCN(CCCCl)CC4)c3)cc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6739147
17735,O=[N+]([O-])C1CCN(CCN2CCN(c3ccccc3-c3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6280257
17736,O=[N+]([O-])c1ccccc1-c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4645831
17737,O=c1n(-c2ccccc2)ccn1-c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.599099
17738,Oc1cc2ccc(Cl)cc2n1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.708656
17739,Oc1nc(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)cc2ccc(F)cc12,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7830795
17740,CC1c2ccccc2C(=O)N1c1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6260505
17741,CCC(=O)c1cc2c(cc1OC)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48176065
17742,CCCC(=O)N(C)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54851025
17743,CCCCN1CCN(Cc2cccc(CNC(=O)C3(C)Cc4ccccc4C3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5756841
17744,CCCOc1ccc(OCNc2ccccc2OCC)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.082165286
17745,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Oc3ccc4ccc(C(N)=O)cc4c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18176167
17746,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(Cc3ccc(F)cc3)C(=O)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25933075
17747,CCCOc1ccc(OSC)c(CNc2ccccc2OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08863825
17748,CCCOc1ccc(Oc2cc(F)ccc2OCCF)c(NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15186268
17749,CCON=Cc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7085223
17750,CCOc1cc2c(cc1Cl)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7057922
17751,CCOc1ccccc1N1CCN(CCN2CCC(c3ccc4ccc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8013378
17752,CCc1ccccc1OC1CCN(Oc2ccc(OCCN=S(C)(=O)O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.16083325
17753,CN(Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)Oc1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68326104
17754,COC(=O)CNc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4775193
17755,COC(=O)c1cc2c(cc1OC)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3936742
17756,COC1CCN(CCN2CCN(c3ccccc3-c3cc4ccc(O)nc4cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7203265
17757,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(O)nc3-c3ccc(O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6684842
17758,COC1CCN(CCN2CCN(c3ccccc3COc3ccc(-c4ccco4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.619689
17759,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3cnc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.43630272
17760,COCCCN1CCN(Cc2cccc(CNC(=O)c3cc4ccccc4oc3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4671171
17761,COCCCN1CCN(Cc2cccc(CNC(=O)c3ccc4c(c3)CCc3ccccc3-4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5838493
17762,COCCCN1CCN(Cc2cccc(N3C(=O)c4ccccc4CC3(C)C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6101605
17763,COCCOc1ccc(OC)c(N2CCN(c3ccc(OCCF)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31395665
17764,COCCOc1ccc(OCCN2CCN(c3ccc(F)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.72668064
17765,COCCOc1ccc(ON2CCN(CCc3ccc(F)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.47722715
17766,COCCOc1ccc(ON2CCN(c3ccccc3OC)CCC2C)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40594864
17767,COc1cc2c(cc1O)C1Cc3cccc(Cc4c(CO)ccc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76421255
17768,COc1cc2c(cc1O)C1Cc3cccc(NC(=O)c4cccc([N+](=O)[O-])c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.2608568
17769,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc4cccc(O)c4c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65167606
17770,COc1cc2c(cc1O)CCN1Cc3c(cccc3NCC3CCCC3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38256198
17771,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(CO)cc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6704644
17772,COc1cc2c(cc1OCc1ccncc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68258065
17773,COc1ccc(OCCC(=O)NSC)cc1NC(=O)Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.006167513
17774,COc1ccc(OCCC2CCN(C(=O)Cc3ccccc3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09406565
17775,COc1ccc(OCCN2CCC(C=Cc3ccccc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.6752247
17776,COc1ccc(OCCN2CCC(Oc3ccc4ccc(C)cc4c3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3648122
17777,COc1ccc(OCCN=S(C)(=O)O)cc1CSCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.056088954
17778,COc1ccc(OCCN=S(C)(=O)O)cc1Oc1cc2c(cc1OCC(C)C)CCC(=O)N2,[*]CCOc1ccc(O[*])c([*])c1,0.17187615
17779,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCCC(Cc2ccc(OC3CCC(=O)NC3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.20784515
17780,COc1ccc(OCCS(C)(=O)=O)cc1OC(=O)CCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.17057039
17781,COc1cccc2c1CN1CCc3cc(-c4ccccc4C)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6025667
17782,COc1ccccc1CCCN1CCN(Cc2cccc(CF)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63453156
17783,CS(=O)(=O)NOc1ccc(OCCF)cc1CN1CCC(Cc2ccc(C#N)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.35667923
17784,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCS4)CC2)ccc1O[SH](C)(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5326993
17785,Cc1cc(OCCN2CCC(Cc3ccccc3)C2=O)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3020648
17786,Cc1cc(OCCN2CCC(Oc3ccc(CC4CCCCC4)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.47942746
17787,Cc1cc(OCCNCc2ccco2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08692635
17788,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCCC(c2ccc(Cl)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.24383016
17789,Cc1cccc(CN2CCN(CCCCc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7410547
17790,Clc1cccc(CN2CCN(CCCc3ccc4cccccc3-4)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.73809445
17791,Clc1cccc(CN2CCN(CCCc3csc(-c4ccccc4)n3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.73141927
17792,O=S(=O)(NCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)C(F)(F)F,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44624513
17793,O=S1(=O)CNC(c2cccc(CN3CCN(CCCCl)CC3)c2)N1c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5764234
17794,OCc1ccc(Cc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6762326
17795,Oc1cc2c(cc1-c1ccc(O)c3[nH]ccc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6848105
17796,CCC1CCc2ccc(C(=O)NCc3cc(OCCS(N)(=O)=O)ccc3OC)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.21718311
17797,CCCCN1CCC(CCOc2ccc(OC)c(OS(=O)(=O)C(F)(F)F)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.67166424
17798,CCCOc1ccc(OC)c(CNC(=O)c2ccc(S(C)(=O)=O)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.017888643
17799,CCCOc1ccc(OCN2CCN(c3ccccc3OCC)CC2)c(NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.43846294
17800,CCCOc1ccc(ONC(C)=O)c(CN2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36881727
17801,CCCOc1ccc(ONC=O)c(N2CCN(c3ccccc3C(F)(F)F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29168865
17802,CCCOc1ccc(ONS(C)(=O)=O)c(N2CC=C(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29613653
17803,CCCOc1ccc(OS(C)(=O)=O)c(C(C)Cc2ccc(OC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.046284743
17804,CCCOc1ccc(OS(N)(=O)=O)c(C(=O)COc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09456179
17805,CCCOc1ccc(Oc2ccc(F)cc2)c(CN2CCN(CC(=O)OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21275596
17806,CCNC(=O)Nc1ccccc1-c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35097036
17807,CCOc1cc2c(cc1CO)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68230665
17808,CCOc1cccc(CN2CCN(CCCSc3ccc(F)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51692414
17809,CCc1cc2c(cc1OC)C1Cc3cccc(OCc4ccc(N(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6982883
17810,CCc1ccc(COc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7050889
17811,CN1CCC(Cc2cc(OCCF)ccc2ONS(=O)(=O)c2cccc(Cl)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.36440694
17812,COC1CCN(CCN2CCN(c3ccccc3-c3cccc(-c4ccccn4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7948662
17813,COCCOc1ccc(OC)c(C2CCN(CCc3ccccc3)C(=O)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33781904
17814,COCCOc1ccc(OC)c(CS(=O)(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.048560616
17815,COCCOc1ccc(OF)c(CCN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.86707574
17816,CON1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(-c3cc(C)ccc3C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.19130103
17817,COc1cc2c(cc1-c1cccc(CO)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6977043
17818,COc1cc2c(cc1-c1ccccc1)C1Cc3cccc(Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7200509
17819,COc1cc2c(cc1C=CNOCc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60539174
17820,COc1cc2c(cc1CCF)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8284266
17821,COc1cc2c(cc1Cc1ccccc1)CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6400178
17822,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc5c(c4)OCO5)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5627158
17823,COc1cc2c(cc1O)CCN1Cc3c(cccc3[N+](=O)c3cccc(Cl)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60101056
17824,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)OCc4ccc(C(C)=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50114524
17825,COc1cc2c(cc1OC)C1Cc3cccc(Cc4cccc(OC(C)C)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53792644
17826,COc1ccc(OCCC(=O)CCCc2ccc(F)cc2)cc1C(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07075641
17827,COc1ccc(OCCC(=O)Cc2ccc3c(c2)CCCC3)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.104699105
17828,COc1ccc(OCCC(C)c2ccccc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10118006
17829,COc1ccc(OCCC=Cc2ccc(F)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.17653474
17830,COc1ccc(OCCN2CCC(Oc3ccc(C4CCCC4)cc3)CC2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.54686177
17831,COc1ccc(OCCN2CCCC(Cc3ccc(F)cc3)C2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.45429444
17832,COc1ccc(OCCN2CCNC2=O)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1823672
17833,COc1ccc(OCCNCc2ccccc2)cc1C=CS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.24383919
17834,COc1ccc(OCCNS(=O)(=O)O)cc1N1CCC(c2ccc(OC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.30174065
17835,COc1ccc(OCCOCC(C)C)cc1S(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.03580458
17836,COc1ccc(OCCOc2ccc(C(C)C)cc2)cc1N(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.11153485
17837,COc1cccc(CN2CCN(CCCN3C(=O)CCCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.709746
17838,COc1cccc(CN2CCN(CCCN3CCN(c4cccc(C)c4)C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59076816
17839,COc1cccc2c1CN1CCc3cc(C(=O)NCc4ccc(C#N)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48075086
17840,COc1ccccc1N1CCCN(Oc2ccc(OCCS(C)(=O)=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22447324
17841,CSOc1ccc(OCCNCCc2cccc3c2NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.16238847
17842,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCC4)C2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.52151304
17843,Cc1cc(OCCN2CCCC(Cc3ccc4ccccc4c3)C2)ccc1OOS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.34761333
17844,Cc1cc(OCCN2CCN(CCc3ccccc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4934362
17845,Cc1cc(OCCSCCCc2ccc3c(c2)NC(=O)CC3)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.19608584
17846,Cc1ccccc1N1CCN(CCN2CCC(C(=O)c3cccc(F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7446172
17847,ClC1CCN(CCN2CCN(c3ccccc3Oc3ccc(-c4cccnc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8198269
17848,Clc1ccccc1N1CCN(CCN2CCC(Nc3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87819785
17849,O=C1SSc2ccccc2N1CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6659908
17850,Oc1cc2c(cc1C=NOc1ccccc1Cl)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58377445
17851,Oc1ccc(F)cc1C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79610395
17852,C#Cc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.82502186
17853,CC(=O)NOc1ccc(OCCNS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.018550614
17854,CC=S(O)(O)=Nc1cc(OCCN=S(C)(=O)O)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.048654284
17855,CCCOc1ccc(OC(C)Cc2ccccc2)c(N=S(C)(=O)O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.051343434
17856,CCCOc1ccc(OCN2CCN(C(=O)c3ccc(SC)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.059726343
17857,CCCOc1ccc(OSC)c(CNCc2cccs2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15332359
17858,CCOCCCN1CCN(Cc2cccc(CNC(=O)c3ccc4ccc(OC)cc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.39150006
17859,CCOc1ccccc1N1CCN(CCN2CCC(n3cc(Cl)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7730422
17860,CCOc1ccccc1N1CCN(CCOc2ccc(OSC)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7368709
17861,CN(C)C(=O)NCc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49518088
17862,CN(Cc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2)OCc1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67077744
17863,CN(Cc1ccccc1)C(=O)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49089998
17864,CNOc1ccc(OCCCN2CCN(c3cc(F)ccc3F)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6971354
17865,COC(=O)NCc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49669105
17866,COC(=O)NCc1ccc(-c2cc3c(cc2OC)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4602291
17867,COC1CCN(CCN2CCN(c3ccccc3NC(=O)Oc3cc4ccccc4c4cc(C(N)=O)sc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.41676402
17868,COCCCN1CCN(Cc2cccc(Cn3cc(-c4ccccc4)nc3O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56679237
17869,COCCCN1CCN(Cc2cccc(N(C(=O)c3ccccc3)C3CCCCC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4828245
17870,COc1cc2c(cc1Cc1ccccc1)CCN1Cc3c(cccc3Oc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7166872
17871,COc1cc2c(cc1NC(C)=O)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40229023
17872,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(CN(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68316776
17873,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccc([N+](=O)O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64150375
17874,COc1cc2c(cc1O)CCN1Cc3c(Cc4cc5ccccc5cc4C#N)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76686287
17875,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(cccc3OC3CCCC3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7018872
17876,COc1ccc(OCCC(N)=O)cc1COc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.13982591
17877,COc1ccc(OCCC2CCCC(c3ccccc3)C2)cc1S(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.17869581
17878,COc1ccc(OCCN)cc1CCF,[*]CCOc1ccc(O[*])c([*])c1,0.092695095
17879,COc1ccc(OCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.8815198
17880,COc1ccc(OCCN2CCN(c3ccccc3OC)C2=O)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.369663
17881,COc1ccc(OCCN=C[SH](C)(=O)O)cc1Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.055782564
17882,COc1ccc(OCCN=S(C)(=O)O)cc1CCOc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.053646106
17883,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Oc2ccc(C(C)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.17010723
17884,COc1cccc(CN2CCN(CCCC(=O)N=CC3Nc4ccccc4C(=O)c4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4418725
17885,COc1cccc(CN2CCN(CCCCN3c4ccccc4Cc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7473117
17886,COc1cccc(CN2CCN(CCCCc3cc4ccccc4sc3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6176841
17887,COc1cccc(CN2CCN(CCCCc3ccccc3C)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64042246
17888,COc1cccc2c1CN1CCc3cc(C)c(OCc4ccc(OC)c5ccccc45)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6965661
17889,COc1cccc2c1CN1CCc3cc(C4CCC(O)C4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6326496
17890,COc1ccccc1N1CCN(CCN2CCC(N3C(O)=Nc4ccc3cc4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71010524
17891,COc1ccccc1N1CCN(CCN2CCC(OCc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9172998
17892,CSOc1ccc(OCCN2CCN(Cc3ccco3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.47467312
17893,Cc1cc(OCCC(C)Cc2ccccc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.0730884
17894,Cc1cc(OCCCCCc2ccc(F)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.08783114
17895,Cc1cc(OCCCN2CCC(c3cccc(C(F)(F)F)c3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.71480423
17896,Cc1cc(OCCN2CCC(C3CCc4ccccc4C3=O)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.66822296
17897,Cc1cc(OCCN2CCCC(C(=O)c3ccc(F)cc3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.30179167
17898,Cc1cc(OCCN2CCCC(Cc3ccc4c(c3)CCC(=O)N4)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3669355
17899,Cc1cc(OCCNC(=O)COc2ccc3c(c2)NC(=O)C3)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.04890567
17900,Cc1cc(OCCNC(=O)Cc2ccc(F)cc2)ccc1OCN1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.119075574
17901,Cc1cc2c(cc1O)C1Cc3cccc(-c4ccc(N(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.588343
17902,Cc1cc2c(cc1O)CCN1Cc3c(cccc3Oc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.610291
17903,Clc1cccc(CN2CCN(CCCC3CC3c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65245736
17904,Fc1cnn(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8720332
17905,O=C(c1ccc(O)nc1)C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7835024
17906,O=C(c1cccc(CN2CCN(CCCCl)CC2)c1)N1CCCC1c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5620441
17907,O=c1ccc2cccc(-c3cccc(CN4CCN(CCCC(F)(F)F)CC4)c3)c2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5414577
17908,Oc1cc2c(cc1O)C1Cc3cccc(C4CCC(O)C4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7283879
17909,Oc1nc2ccccc2cc1CCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7768334
17910,CC=S(O)(O)=Nc1cc2c(cc1O)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58015543
17911,CCC(=O)Nc1cc2c(cc1C)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.26149237
17912,CCCCc1ccccc1CCOc1ccc(OC)c(CN2CCN(C)C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2735862
17913,CCCOc1ccc(ON2CCN(c3ccccc3OC)CC2)c(SC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34869844
17914,CCCOc1ccc(OOC)c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3099587
17915,CCCOc1ccc(OOC)c(N2CCCN(c3ccc(C(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29385957
17916,CCCOc1ccc(OSC)c(CNS(=O)(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07348053
17917,CCN(C)Cc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8031395
17918,CCOc1ccccc1OCCCOc1ccc(OCN2CCN(C)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.360116
17919,CNC(=O)CN1CCN(Oc2ccc(OCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.093267344
17920,COC(=O)COc1cccc2c1CN1CCc3cc(C)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38171804
17921,COC(=O)NCc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4663889
17922,COOc1ccc(OCCNCc2cccc(OC)c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.18055339
17923,COc1cc2c(cc1C)C1Cc3cccc(Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66116756
17924,COc1cc2c(cc1O)C1Cc3cccc(-c4cccc(NC(C)=O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.33833256
17925,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3cccc(Cl)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6788857
17926,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)c4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5257987
17927,COc1ccc(OCCCc2ccc(S(C)(=O)=O)cc2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.074371494
17928,COc1ccc(OCCF)cc1CN1CCN(C(=O)c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.12681334
17929,COc1ccc(OCCN2CCC(c3ccccc3OC3CCC3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6304348
17930,COc1ccc(OCCNS(=O)(=O)c2ccccc2F)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.11777262
17931,COc1ccc(OCCS(C)(=O)=O)cc1NC(C)Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07843903
17932,COc1ccc(OCCS(N)(=O)=O)cc1N1CCC(Oc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28647757
17933,COc1ccc(OCCc2cc(F)cs2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06542969
17934,COc1cccc(CN2CCN(CCCCN(C)S(=O)(=O)c3ccc4ccccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57867986
17935,COc1cccc2c1CN1CCc3cc(-c4c(C#N)cccc4OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70468783
17936,COc1cccc2c1CN1CCc3cc(-c4cc5cccc(O)c5[nH]4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67055035
17937,COc1cccc2c1CN1CCc3cc(O)c(OCc4cccc(Cl)c4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6064296
17938,COc1ccccc1C#Cc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8394967
17939,COc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8323882
17940,COc1ccccc1N1CCN(CCN2CCC(COc3ccc4ccc(O)cc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72825474
17941,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc4cc(O)ccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87775993
17942,COc1ccccc1N1CCN(CCN2CCC(Oc3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8835016
17943,COc1ccccc1N1CCN(CCN2CCC(c3c(Br)ccc(OC)c3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.826308
17944,COc1ccccc1N1CCN(CCN2CCC(c3ccc4cc(O)ccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71517044
17945,COc1ccccc1NC1CCN(CCN2CCN(c3ccccc3C(C)=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.41628456
17946,CSOc1ccc(OCCN2CCC(NS(=O)(=O)c3cccc(F)c3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6362252
17947,Cc1cc(OCCN(C)S(C)(=O)=O)ccc1ON1CCC(CCc2ccc3c(c2)CCC(=O)N3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24651012
17948,Cc1cc(OCCN2CCC(Cc3ccc(F)cc3)C2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.568216
17949,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC(=O)N4)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.40298378
17950,Cc1cc(OCCN2CCC(Cc3cccc(N)c3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.62623465
17951,Cc1cc(OCCN2CCN(c3ccccc3OCC(C)C)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.787909
17952,Cc1cc(OCCN2CNC(=O)CC23CCCCC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09644617
17953,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)NC(=O)CC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.059881065
17954,Cc1cc(OCCNC(=O)Cc2cccnc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.023126744
17955,Cc1cc(OCCNCCc2cccc3c2CCCC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.1635724
17956,Cc1cc(OCCNCc2cccc3ccc(F)cc23)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.18451227
17957,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCC(Oc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.43780288
17958,Cc1cc2c(cc1Cc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60792345
17959,Clc1cccc(CN2CCN(CCCC3Cc4ccccc4N3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7157089
17960,N#Cc1cccc2[nH]cc(-c3cc4c(cc3Cl)C3Cc5cccc(O)c5CN3CC4)c12,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6442044
17961,O=C1CC(=O)N(c2cccc(CN3CCN(CCCOC(F)(F)F)CC3)c2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67440563
17962,O=S(=O)(c1ccc(F)cc1)C1CCN(CCN2CCN(c3ccccc3OC(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76277775
17963,O=[N+](c1ccccc1)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62745637
17964,O=c1c(CCCN2CCN(Cc3cccc(Cl)c3)CC2)ccnc2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59769696
17965,O=c1c(Cc2cccc(CN3CCN(CCCCl)CC3)c2)coc2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6072791
17966,Oc1c2ccccc2cn1Cc1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70539963
17967,Oc1cc2c(cc1O)C1Cc3cccc(OCc4cccc(F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64218616
17968,Oc1ccccc1CCCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61576945
17969,CC(=O)OC1CCN(CCOc2ccc(ONS(=O)(=O)c3ccc(F)cc3)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.45922983
17970,CC1(C)Cc2ccc(O)cc2OC1CCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5059529
17971,CCCC1CCc2ccccc2C1CNCCOc1ccc(OC)c(SC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.306855
17972,CCCOc1ccc(OF)c(CCN2CC=C(C(=O)O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36412358
17973,CCCOc1ccc(OF)c(CN2CCN(c3cccc(C(=O)OC)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35554144
17974,CCCOc1ccc(OS(C)(=O)=O)c(NCC2CCc3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3940192
17975,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(c3ccc(CCF)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31091595
17976,CCOc1ccc(COc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66022176
17977,CCOc1cccc(Cc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6633601
17978,CNOc1ccc(OCCNCc2ccc(S(C)(=O)=O)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.12528263
17979,CNc1ccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53990346
17980,COCCOc1ccc(OCN2CCN(c3ccccc3F)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.523091
17981,COCCOc1ccc(OF)c(N2CCCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30667725
17982,COCCOc1ccc(ONS(=O)(=O)Cc2ccc(SC)cc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06225669
17983,CON1CCN(CCNC(=O)c2ccc(O)c(-c3ccccc3Br)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.40246648
17984,CON=CCCOc1ccc(OC)c(CN2CCC(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5797444
17985,COc1cc2c(cc1-c1ccc(C)cc1)CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58979994
17986,COc1cc2c(cc1-c1ccc(F)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77028877
17987,COc1cc2c(cc1-c1ccc(OC(F)(F)F)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7643875
17988,COc1cc2c(cc1O)C1Cc3cccc(-c4cccc(C(=O)NC(C)CO)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3874499
17989,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(OC)c5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79952085
17990,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cccc4cccc(OC)c34)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67969406
17991,COc1cc2c(cc1OC)C1Cc3cccc(NC(=O)OCc4ccc([N+](=O)C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.2609431
17992,COc1cc2c(cc1Oc1ccccc1)CCN1Cc3c(C#Cc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78932035
17993,COc1cc2c(cc1[N+](=O)[O-])CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4701577
17994,COc1cc2c(cc1[O-])CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7049467
17995,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1cccc(OC)c1[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26628733
17996,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccncc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.23483458
17997,COc1ccc(OCCCc2ccc(F)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.12285206
17998,COc1ccc(OCCN2CCC(c3cccc4oc(=O)ccc34)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.63733655
17999,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCC(Oc2ccc(CCF)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.20474479
18000,COc1ccc(OCCNC(=O)Cc2ccc(C)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.013942862
18001,COc1ccc(OCCNC2CCc3ccc(S(C)(=O)=O)cc3CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.28396872
18002,COc1ccc(OCCNCC2CCc3ccccc3C2)cc1S(=O)(=O)C1CCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.25339583
18003,COc1ccc(OCCOS(C)(=O)=O)cc1N1C(=O)CCC1Cc1ccc(C2CCNCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.18327244
18004,COc1cccc(CN2CCN(CCCCNC(=O)C3Cc4ccccc4-c4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6337951
18005,COc1cccc(CN2CCN(CCCc3ccc(Br)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65660685
18006,COc1cccc(CN2CCN(CCCc3cccc4sccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68436116
18007,COc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccc(F)nn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8927274
18008,COc1ccccc1N1CCN(CCN2CCC(c3ccc4nc(Cl)ccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.852105
18009,COc1ccccc1N1CCN(c2cc(OCCN(C)C=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31362075
18010,CSOc1ccc(OCCN2CCC(Cc3ccc4c(c3)OCC(=O)N4)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5376388
18011,CSOc1ccc(OCCN2CCCC(Oc3ccc(CC4CCC4=O)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.38879532
18012,CSc1ccc(CNCCOc2ccc(ONC(C)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.05641142
18013,Cc1cc(OCCN2CCC(CCc3ccc(F)cc3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6539497
18014,Cc1cc(OCCNCCOc2ccc3c(c2)CC(=O)CC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.16059773
18015,Cc1cc(OCCNCCc2ccc3c(c2)OC(=O)CC3)ccc1O[SH](C)(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.22547074
18016,Cc1cc(OCCNS(=O)(=O)c2cccc(F)c2)ccc1ONCC1CCCN1,[*]CCOc1ccc(O[*])c([*])c1,0.13571292
18017,Cc1cc(OCCOS(C)(=O)=O)ccc1ON1CCN(c2ccc(OCC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21589033
18018,Cc1cc(OCCS(C)(=O)=O)ccc1On1cc(Cc2ccccc2F)c2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.07916346
18019,Cc1ccc(C)c(CCCCN2CCN(Cc3cccc(F)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55934703
18020,Cc1ccccc1N1CCN(CCN2CCC(c3cnccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6816674
18021,ClCCCN1CCN(Cc2cccc(C3CCc4ccccc4O3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7538014
18022,Oc1cc2c(cc1-c1cccc3[nH]ccc13)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65099216
18023,CC(=O)c1ccc(C(=O)N2CCN(COc3ccc(OCCF)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06851706
18024,CC(=O)c1cccc2c1CN1CCc3cc(C)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42566147
18025,CCCCCCOc1ccc(OCN2CCN(c3ccc(Cl)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.48509693
18026,CCCOc1ccc(OC(F)COc2ccc3c(c2)CCCC3)c(NC=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15924108
18027,CCCOc1ccc(OC(O)CCc2cccc(N)n2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08428637
18028,CCCOc1ccc(OCCCc2ccccn2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14392117
18029,CCCOc1ccc(OOC)c(N(C)c2ccccc2OCC(F)(F)F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16058163
18030,CCCOc1ccc(OOC)c(N2C(=O)CCC2Cc2ccc3c(c2)CC(=O)NC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27031147
18031,CCCOc1ccc(OOCC)c(N2CCC(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24606232
18032,CCCOc1ccc(OS(C)(=O)=O)c(NCCc2ccncc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.049162954
18033,CCCc1cc2c(cc1OC)C1Cc3cccc(Oc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7469962
18034,CCOCCCOc1ccc(OCN2CCN(c3ccccc3OCC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.58168083
18035,CCOCc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7196344
18036,CCOc1cccc(CN2CCN(CCCc3ccc4ccccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5896338
18037,CCc1ccc(C)cc1S(=O)(=O)NCCOc1ccc(ON2CCN(C)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23274131
18038,CNOc1ccc(OCCN2CCCN(c3ccccc3OC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.67026365
18039,COC(=O)c1cccc2c1CN1CCc3cc(OC)c(OCc4cccc(OC)c4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4198814
18040,COC1CCN(CCN2CCN(c3ccccc3-c3c(O)nc4cc(C)ncn34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6441591
18041,COC1CCN(CCN2CCN(c3ccccc3Nc3cc4ccccc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.48102963
18042,COCCCN1CCN(Cc2cccc(-c3nc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5302923
18043,COOc1ccc(OCCCN2CCC(Cc3ccc4c(c3)NC(=O)CCS4)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5460793
18044,COc1cc(F)ccc1CC1CCN(CCOc2ccc(OSC)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6476598
18045,COc1cc2c(cc1-c1cccc(CO)c1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6826258
18046,COc1cc2c(cc1C(=O)OCc1ccccc1)C1Cc3cccc(CO)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46082458
18047,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc(COC(N)=O)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53228843
18048,COc1cc2c(cc1OC(C)c1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6892018
18049,COc1cc2c(cc1OC)C1Cc3cccc(O[N+](=O)c4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7033346
18050,COc1ccc(C(=O)NCC2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81408846
18051,COc1ccc(OCCCCCc2ccc3c(c2)NC(=O)CCC3)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2002567
18052,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)cc1[SH]=O,[*]CCOc1ccc(O[*])c([*])c1,0.66916776
18053,COc1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1C(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.54822284
18054,COc1ccc(OCCN2CCC(c3ccccc3)CC2)cc1S(=O)(=O)N(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.6514871
18055,COc1ccc(OCCN2CCN(c3ccccc3OC)CC2=O)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.269484
18056,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(Cc2cc3ccccc3[nH]2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20416324
18057,COc1ccc(OCCNC(=O)Cc2ccc3c(c2)NC(=O)CC3)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.057292107
18058,COc1ccc(OCCNC(C)=O)cc1N1CCC(COc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23582587
18059,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(CCOc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.319236
18060,COc1ccc(OCCc2ccccc2)cc1CN1CCN(C=[SH](=O)c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4718991
18061,COc1ccc2cc(CC3CCN(Oc4ccc(OCCS(C)(=O)=O)cc4C)CC3)ccc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.15669125
18062,COc1cccc(-c2cccc(CN3CCN(CCCC(=O)N4c5ccccc5CC4C)CC3)c2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6784058
18063,COc1cccc(CN2CCN(CCCCC(=O)N3c4ccccc4CC3C)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7583217
18064,COc1ccccc1N1CCN(CCN2CCC(c3ccc(SC)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8531327
18065,COc1ccccc1N1CCN(CCN2CCC(c3cn(-c4ccc(F)cc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8004958
18066,COc1ccccc1N1CCN(COc2ccc(OCCOC(C)=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5867155
18067,Cc1cc(OCCNCc2ccccn2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.14831029
18068,Cn1nc(-c2ccccc2)cc1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7174602
18069,Fc1cccc(CN2CCN(CCCc3coc(S)n3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5625516
18070,N#Cc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71361405
18071,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)N1CCCCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5554259
18072,O=C1Cc2ccccc2N1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7493369
18073,O=C1c2ccccc2C=CC1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68794304
18074,O=S(=O)(CCCN1CCN(Cc2cccc(Cl)c2)CC1)c1cc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6754317
18075,O=c1ncccn1CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63213235
18076,c1ccc(CCCN2CCN(Cc3cccc(Cc4cc5ccccc5[nH]4)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6610826
18077,C=Cc1cccc(-c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6709226
18078,CC1CCN(CCN2CCN(c3ccccc3-c3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7859042
18079,CC1CCN(CCN2CCN(c3ccccc3-n3c(O)cc4cc(O)ccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73880965
18080,CCCCCCOc1ccc(ONC(C)=O)c(CCN2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.57942027
18081,CCCCn1cc(CCOc2ccc(OC)c(CS(C)(=O)=O)c2)cn1,[*]CCOc1ccc(O[*])c([*])c1,0.08800309
18082,CCCCn1cc(Oc2ccc(OCCC)cc2OC)nn1,[*]CCOc1ccc(O[*])c([*])c1,0.106673256
18083,CCCOc1ccc(OCS(C)(=O)=O)c(CN2CCC(Oc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.58054304
18084,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCCC(COc3ccc4c(c3)NC(=O)CC4C)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30310476
18085,CCCOc1ccc(OS(N)(=O)=O)c(N2CCN(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2754069
18086,CCNC(=O)NCc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.406197
18087,CCOc1cc2c(cc1O)CCN1Cc3c(C=O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62242275
18088,CCOc1cccc2c1CN1CCc3cc(C)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6741221
18089,CCOc1ccccc1N1CCCN(c2cc(OCCOC)ccc2OC)C1,[*]CCOc1ccc(O[*])c([*])c1,0.28295773
18090,CCOc1ccccc1N1CCN(CCN2CCC(c3cccc(-c4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8557849
18091,COCCCN1CCN(Cc2cccc(C3CCCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68738663
18092,COCCOc1ccc(OC)c(CN2CCN(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6036123
18093,COc1cc(C#N)ccc1-c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69723004
18094,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1cccc([O-])c1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.25577778
18095,COc1cc2c(cc1C(=O)NOCc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4806694
18096,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(C#N)c(Cl)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6825302
18097,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1c(C)cccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.24447654
18098,COc1ccc(CNCCOc2ccc(ON=S(C)(=O)O)c(C)c2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.103355624
18099,COc1ccc(OCCC(C)Nc2cccc(S(C)(=O)=O)c2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08731703
18100,COc1ccc(OCCCC(=O)c2ccc(F)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.097320706
18101,COc1ccc(OCCCCNC(=O)c2ccc(F)cc2)cc1N(C)C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.048709404
18102,COc1ccc(OCCCN2CCN(CC(=O)c3ccc(F)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.53619075
18103,COc1ccc(OCCN=S(C)(=O)O)cc1NC(=O)Cc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.077254385
18104,COc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1NC(=O)C1CCNC1,[*]CCOc1ccc(O[*])c([*])c1,0.02446691
18105,COc1ccc(OCCNCC(=O)c2ccc(F)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10320405
18106,COc1ccc(OCCNS(C)(=O)=O)cc1CSCc1ccc(SC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.09990864
18107,COc1ccc(OCCOC(=O)CCc2ccccc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.046246868
18108,COc1ccc(OCCS(C)(=O)=O)cc1C1CCN(C(=O)Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1083578
18109,COc1ccc(OCCS(N)(=O)=O)cc1NC(=O)COc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.051162433
18110,COc1ccc2ccc(Oc3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)cc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84868985
18111,COc1cccc2c1nc(O)n2-c1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73553735
18112,COc1ccccc1N1CCN(CCN2CCC(OC(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7214312
18113,COc1ccccc1N1CCN(CCN2CCC(c3cccn3Cc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7383102
18114,COc1ccccc1NC1CCN(c2cc(OCCC(C)=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.13016883
18115,CSOc1ccc(OCCCN2CCC(C(=O)Oc3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5609079
18116,CSOc1ccc(OCCN2CCCC(Cc3ccc(OC4CCC(=O)NC4)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.3922079
18117,CSOc1ccc(OCCN2CCCC(Oc3ccc(CC4CCCCC4)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.40566844
18118,CSc1cccc2c1CN1CCc3cc(C(C)=O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45338655
18119,Cc1cc(OCCCS(N)(=O)=O)ccc1ON1CCC(CCc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25739092
18120,Cc1cc(OCCN2CCN(CC(=O)c3ccc(F)cc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.276726
18121,Cc1cc(OCCN=S(C)(N)=O)ccc1ON1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2432937
18122,Cc1cc(OCCNCCc2cc3ccccc3s2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.22198047
18123,Cc1cc(OCCOC(=O)CCc2ccccc2)ccc1ON1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.09309886
18124,Cc1cc2c(cc1CO)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5446219
18125,Cc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1cccc2ccccc12,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27156758
18126,ClCCCN1CCN(Cc2cccc(C#Cc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6935838
18127,Clc1ccccc1N1CCN(CCN2CCC(c3cscn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74345344
18128,N#Cc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7569345
18129,N#Cc1ccccc1C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7928909
18130,O=C(NCCCCN1CCN(Cc2cccc(Cl)c2)CC1)c1ccco1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5687542
18131,O=C1c2cccc(Cl)c2C(=O)N1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62053454
18132,Oc1ccc2cccc(-c3cccc(CN4CCN(CCCF)CC4)c3)c2n1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58456194
18133,Oc1ccccc1N1CCN(CCN2CCC(COc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75161344
18134,CC1CCN(CCN2CCN(c3ccccc3-c3ccc4ccc(C#N)cc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7275667
18135,CC1Cc2ccccc2N(c2cccc(CN3CCN(CCCF)CC3)c2)C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.71769464
18136,CCC(=O)Oc1cccc2c1CN1CCc3cc(O)c(C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4305493
18137,CCCOc1ccc(OC)c(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7235808
18138,CCCOc1ccc(ON2CCC(C(=O)c3ccc(F)cc3)CC2)c(N)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25151443
18139,CCCOc1ccc(ON=S(C)(=O)O)c(CCCc2ccc(SC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04549126
18140,CCCOc1ccc(OOC)c(C=CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36904502
18141,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(Cc3ccc(N)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17299198
18142,CCCOc1ccc(OS(C)(=O)=O)c(NCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.069036074
18143,CCCOc1ccc(OSC)c(CCNc2ccc(C(F)(F)F)cn2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04872234
18144,CCCSc1ccccc1N1CCN(CCN2CCC(c3ncc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6804928
18145,CCOc1cc(C)ccc1OCCCOc1ccc(ONS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.059849996
18146,CCOc1cc2c(cc1Cl)CCN1Cc3c(cccc3-c3cccc(C#N)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57133
18147,COC(=O)c1cc2c(cc1O)C1Cc3cccc(Br)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5411881
18148,COC1CCN(CCN2CCN(c3ccccc3-c3cccc(-c4ccc(O)nc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7696962
18149,COCCCN1CCN(Cc2cccc(-c3cc(O)nc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55763656
18150,COOc1ccc(OCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.661546
18151,COOc1ccc(OCCNC(=O)Cc2ccc3c(c2)N(C)C(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.0684912
18152,COc1cc2c(cc1Cc1ccc(Cl)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7211099
18153,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(C#N)cc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6908083
18154,COc1ccc(F)cc1Oc1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84539866
18155,COc1ccc(NC(=O)Nc2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.3585902
18156,COc1ccc(OCCCCNC(=O)c2ccc(F)cc2)cc1NC(=O)c1ccccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.039560318
18157,COc1ccc(OCCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.95445526
18158,COc1ccc(OCCCNC(=O)c2cc3ccccc3o2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.056366142
18159,COc1ccc(OCCF)cc1NS(=O)(=O)c1ccccc1C,[*]CCOc1ccc(O[*])c([*])c1,0.07060392
18160,COc1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1SO,[*]CCOc1ccc(O[*])c([*])c1,0.5638676
18161,COc1ccc(OCCN=S(C)(=O)O)cc1CCOc1ccc(C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.037750043
18162,COc1ccc(OCCNS(C)(=O)=O)cc1NCCC1CC(=O)Cc2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.20647486
18163,COc1ccc(OCCS(N)(=O)=O)cc1OC(=O)CCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.13492072
18164,COc1ccc2cc(-c3cccc4c3CN3CCc5cc(OC)c(O)cc5C3C4)ccc2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.648914
18165,COc1cccc(C2CCCN(CCOc3ccc(ON=S(C)(=O)O)c(C)c3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.44259197
18166,COc1cccc(C=NOc2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7554165
18167,COc1cccc(CCCN2CCN(Cc3cccc(-c4cc5ccccc5o4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6716143
18168,COc1cccc(CN2CCN(CCCCNc3ccccc3OC)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5143877
18169,COc1cccc(CN2CCN(CCCc3ccc4ncccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5829834
18170,COc1cccc(CN2CCN(CCCc3cccc4c3NC(=O)CC4C)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.520945
18171,COc1cccc(CN=S(=O)(O)c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56162477
18172,COc1cccc2c1CN1CCc3cc(C=NOCc4ccccc4Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6309976
18173,COc1ccccc1N1CCN(CCN2CCC(C(=O)C=Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85950893
18174,CSOc1ccc(OCCN2CC(C)Cc3ccccc32)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.379567
18175,CSOc1ccc(OCCN2CCC(Oc3ccc(CC4CCCCC4)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5194384
18176,Cc1cc(OCCF)ccc1OCN1CCN(C(=O)c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.0817856
18177,Cc1cc(OCCN(C)C)ccc1ON1CCN(c2ccccc2OCCF)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3765805
18178,Cc1cc(OCCN2CCC(CCc3ccc4c(c3)NC(=O)CC4)CC2)ccc1OS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.598948
18179,Cc1cc(OCCN2CCC(COc3ccc4c(c3)NC(=O)CC4)CC2)ccc1O[SH](C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5915064
18180,Cc1cc(OCCN2CCC(Cc3ccc(F)cc3)CC2)ccc1OSC=O,[*]CCOc1ccc(O[*])c([*])c1,0.5436713
18181,Cc1cc(OCCN2CCC(c3nc4ccccc4s3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.68597394
18182,Cc1cc(OCCN2CCOC(Cc3ccc(F)cc3)C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.30423233
18183,Cc1cc2c(cc1Cc1c[nH]c3ccccc13)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61538243
18184,O=C(NCCCN1CCN(Cc2cccc(CN3C(=O)c4ccccc4C3=O)c2)CC1)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3199966
18185,O=c1[nH]c2ccccc2n1-c1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6714124
18186,Oc1cccc2c1CN1CCc3cc(-c4c(Cl)cccc4Cl)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67348886
18187,Oc1nc(-c2ccccc2)cn1C1CCN(CCN2CCN(c3ccccc3OC(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8013186
18188,CC1CCN(CCN2CCN(c3ccccc3-c3cccc(O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75779474
18189,CCCOc1ccc(OC=O)c(CN2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.72640765
18190,CCCOc1ccc(OCCNc2ccc(F)cc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0918475
18191,CCCOc1ccc(OCS(C)(=O)=O)c(N2CCCC(CCc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28687295
18192,CCCOc1ccc(ON2CCCC(Cc3ccccc3)C2)c(N)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37912968
18193,CCCOc1ccc(ON=S(C)(=O)O)c(CC2CCN(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4616981
18194,CCCOc1ccc(ONCCc2ccc(F)cc2)c(NOC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.083381064
18195,CCCOc1ccc(OOCC)c(CNC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.026675766
18196,CCCOc1ccc(OS(C)(=O)=O)c(C(=O)COc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06798894
18197,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3ccc(OCC(C)=O)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14063974
18198,CCc1cccc2c1CN1CCc3cc(O)c(OCc4ccc(OC)cc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69623625
18199,CN=S(=O)(O)CCOc1ccc(OC)c(Cc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.049022153
18200,COC(=O)NOc1ccc(OCCNS(=O)(=O)c2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.026300596
18201,COCCOc1ccc(OC)c(N2CCN(c3ncccc3F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31959626
18202,CON1CCN(CCNC(=O)c2ccc(C(C)=O)c(-c3ccc([N+](=O)[O-])cc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.17037009
18203,COOc1ccc(OCCNCc2ccc(OC3CCNCC3)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.2406362
18204,COc1cc2c(cc1-c1nccc3ccccc13)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58811235
18205,COc1cc2c(cc1N)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.80055857
18206,COc1cc2c(cc1O)C1Cc3cccc(CON)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8698575
18207,COc1cc2c(cc1O)CCN1Cc3c(C=[N+](C)c4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64980614
18208,COc1cc2c(cc1O)CCN1Cc3c(cccc3NC(=O)c3cccs3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.30383003
18209,COc1cc2c(cc1OC)C1Cc3cccc(CNC4CCCCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58973193
18210,COc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c(F)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6817493
18211,COc1ccc(C2CCN(c3cc(OCCN=S(C)(=O)O)ccc3OC)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.20547876
18212,COc1ccc(OCCCN=S(C)(=O)O)cc1N1CCC(Oc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23868264
18213,COc1ccc(OCCF)cc1CN1CCC(S(=O)(=O)c2ccc(N(C)C)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.35209662
18214,COc1ccc(OCCF)cc1CS(=O)(=O)c1cc(C(=O)NC(C)=O)ccc1C(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.06406931
18215,COc1ccc(OCCN(C)C)cc1CC(=O)Nc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.015212085
18216,COc1ccc(OCCN2CCC(C(=O)c3ccccc3C)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.53033215
18217,COc1ccc(OCCN=S(C)(=O)O)cc1C(O)COc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.20613283
18218,COc1ccc(OCCNCc2ccccc2)cc1CS(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.28151897
18219,COc1ccc(OCCOS(C)(=O)=O)cc1CC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.35065526
18220,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(CCc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.34421888
18221,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(c2ccc(OC3CCCCC3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.23707247
18222,COc1ccc(OCCS(N)(=O)=O)cc1N1CCC(Oc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.48653966
18223,COc1cccc(CCOc2ccc(OCCN3CCN(C)CC3)cc2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5238857
18224,COc1cccc2c1CN1CCc3cc(-c4c(C)cccc4OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69877744
18225,COc1cccc2c1CN1CCc3cc(-c4cc(O)c5ccccc5c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70828396
18226,COc1cccc2c1CN1CCc3cc(-c4ccc5ccc(C#N)cc5c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62875247
18227,COc1ccccc1N1CCN(CCN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71433324
18228,Cc1cc(OCCCC2CCN(Cc3ccccc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.4171416
18229,Cc1cc(OCCNC(=O)Cc2ccc(OC3CCNCC3)cc2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.02277316
18230,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(c2ccc(CCC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22569351
18231,Cc1cc(OCCS(C)(=O)=O)ccc1ONCc1ccccn1,[*]CCOc1ccc(O[*])c([*])c1,0.07118685
18232,Cc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1ccccc1C#N,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2987337
18233,Cc1ccccc1N1CCN(CCN2CCC(c3cccc(NC(=O)C#N)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5493998
18234,Cc1ccccc1Oc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59815496
18235,Clc1ccccc1N1CCN(CCN2CCC(c3ccc(Br)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8009959
18236,Clc1ccccc1N1CCN(CCN2CCC(c3nc4ccccc4s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83426535
18237,Cn1cccc1-c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8360997
18238,O=C(Cc1cccc(CN2CCN(CCCCl)CC2)c1)c1ccc(F)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58358526
18239,O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.30361974
18240,O=C(Oc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2)c1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45109102
18241,O=C1c2ccccc2C(=O)N1CCCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7168136
18242,OC1CCN(CCN2CCN(c3ccccc3-n3ccc(-c4ccc(F)cc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70143867
18243,Oc1cc2c(cc1O)C1Cc3cccc(-c4cccc(F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65008545
18244,Oc1ccc2ccccc2c1-c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64639634
18245,CC(=O)Nc1cccc(C2CCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.54558724
18246,CCCNCc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61031413
18247,CCCOc1ccc(OCN2CCN(C(C)=O)CSC2)c(-c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1555343
18248,CCCOc1ccc(OCNC(=O)c2cccc(C)c2)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6150727
18249,CCCOc1ccc(OCNS(C)(=O)=O)c(OC2CC3CCC(C2)C(c2ccc(F)cc2)=N3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1812242
18250,CCCOc1ccc(OCNc2ccccc2OCC)c(SC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.081415415
18251,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(Cc3ccc(OC4CCCCC4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17510058
18252,CCCOc1ccc(OOC)c(CNC(=O)c2ccc(NCC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.017700192
18253,CCCOc1ccc(OS(=O)NC)c(N2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29582518
18254,CCN(CCCCN1CCN(Cc2cccc(Cl)c2)CC1)C1Cc2ccccc2C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7159674
18255,CCOc1ccc(C(=O)NC2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7864734
18256,CCOc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3cc4ccccn4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7038785
18257,CN(C)Cc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7308134
18258,CNC(=O)c1cc2ccccc2cc1S(=O)(=O)NCCCN1CCN(Cc2cccc(OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.35434198
18259,COC1CCN(CCN2CCN(c3ccccc3-n3ccc4cccnc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5830174
18260,COc1cc(C2CCN(CCOc3ccc(OS(N)(=O)=O)c(C)c3)CC2)ccc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.58512527
18261,COc1cc2c(cc1-c1cc(C#N)ccc1F)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.781159
18262,COc1cc2c(cc1Cl)CCN1Cc3c(Br)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7448659
18263,COc1cc2c(cc1O)C1Cc3cccc(CN(C)Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7807874
18264,COc1cc2c(cc1O)CCN1Cc3c(Cc4cccs4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7204581
18265,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3c(OC)cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74439514
18266,COc1cc2c(cc1OC)C1Cc3cccc(-c4cc(Cl)ccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71143246
18267,COc1ccc(OCCC(N)=O)cc1NC(=O)Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.006401878
18268,COc1ccc(OCCN2CCC(COc3ccc4c(c3)NC(=O)CC4)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.61219275
18269,COc1ccc(OCCN2CCC(Oc3ccccc3)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.56761426
18270,COc1ccc(OCCN2CCC(c3ccccc3)CC2)cc1[N+](=O)[O-],[*]CCOc1ccc(O[*])c([*])c1,0.50225884
18271,COc1ccc(OCCN2CCN(c3cccc(OS(C)(=O)=O)c3)CC2)cc1OC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6612587
18272,COc1ccc(OCCNC(=O)c2ccccc2)cc1CN1CCC(S[SH]=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3563538
18273,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(Oc2ccc(CC3CCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2601044
18274,COc1cccc(CN2CCN(CCCCCn3c(=O)c(=O)sc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5423367
18275,COc1cccc2c1CN1CCc3cc(OC(=O)c4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.490959
18276,COc1ccccc1N1CCN(CCN2CCC(Cn3cc(Br)ccc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.763203
18277,COc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3cccc4ccc(O)nc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7796158
18278,CSOc1ccc(OCCNS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.05947596
18279,Cc1cc(OCCC(O)COc2ccc3c(c2)NC(=O)CC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.15129445
18280,Cc1cc(OCCCN2CCN(Cc3cccs3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.564725
18281,Cc1cc(OCCN2CCC(Oc3ccc(C(N)=O)cc3Br)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.41930535
18282,Cc1cc(OCCNCCCc2ccco2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.16132466
18283,Cc1cc(OCCNS(=O)(=O)c2ccc(F)cc2)ccc1ON1CCC(O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.16622508
18284,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCCC(Cc2ccc(OC3CC3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.18112929
18285,Cc1cc(OCCNS(C)(=O)=O)ccc1OOCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.119740754
18286,Cc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62153363
18287,Cc1ccc(-c2cccc3c2CN2CCc4cc(O)c(Cl)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60738075
18288,Cc1cccc(-c2cc(C(=O)NCCN3CCN(O)CC3)ccc2[N+](=O)[O-])c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.21997231
18289,Fc1ccccc1N1CCN(CCN2CCC(c3ccc(Br)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68738985
18290,N#Cc1ccc(CNc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4769365
18291,NC(=O)Nc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1Cl,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38495743
18292,O=C(NC1CCN(CCN2CCN(c3ccccc3O)CC2)CC1)c1cccs1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7676607
18293,O=C1N(c2cccc(CN3CCN(CCCF)CC3)c2)c2ccccc2S1(=O)=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69257224
18294,Oc1ccc2c(c1)OC(CNC1CCN(CCN3CCN(c4ccccc4-c4ccccc4)CC3)CC1)CC2,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6373863
18295,CC(=O)NCCOc1ccc(ONCC(C)Oc2ccc3c(c2)NC(=O)CC3)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08650595
18296,CC(=O)Nc1cccc(C2CCN(CCOc3ccc(ON=S(C)(=O)O)c(C)c3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36259297
18297,CCC(=O)c1cccc2c1CN1CCc3cc(Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.529134
18298,CCCCn1cc(-c2cc(OCCc3ccc(F)cc3)ccc2OOC)nn1,[*]CCOc1ccc(O[*])c([*])c1,0.10495813
18299,CCCOc1ccc(N2CCN(Oc3ccc(OCCC)cc3OC)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.26773572
18300,CCCOc1ccc(OF)c(CN2CCC(C(=O)OCC(C)=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2608254
18301,CCCOc1ccc(ON2CCCC(c3ccccc3)C2)c(C(=O)OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1469147
18302,CCCOc1ccc(ONS(C)(=O)=O)c(NCC2CCc3c(F)cccc3C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3654912
18303,CCCOc1ccc(OS(C)(=O)=O)c(Cc2ccc(NC(C)=O)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.02192666
18304,CCCOc1ccc(OS(C)(=O)=O)c(Cc2ccc(OCC(C)=O)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.041669372
18305,CCCOc1ccc(OS(C)(=O)=O)c(NCc2ccc(CCC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06461705
18306,CCNC(=O)C=Cc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40670532
18307,CCOc1cc2c(cc1OC)C1Cc3cccc(C(=O)OCc4ccc(F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44604304
18308,CCc1ccccc1N1CCN(CCN2CCC(Cc3ccc(O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7082231
18309,CCc1ccccc1N1CCN(CCN2CCC(c3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8172769
18310,CN(Cc1cccc(CN2CCN(CCCCl)CC2)c1)S(=O)(=O)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.472618
18311,COC1CCN(CCN2CCN(c3ccccc3-c3cc4ccccc4[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7604485
18312,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc(-c4ccccn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8557835
18313,COCCCN1CCN(Cc2cccc(CC(=O)c3ccc(F)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4787327
18314,CON=C(c1ccc(Cl)cc1)c1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7418571
18315,COc1cc2c(cc1C)C1Cc3cccc(-c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6322869
18316,COc1cc2c(cc1O)C1Cc3cccc(Oc4ccccn4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6970151
18317,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54537463
18318,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3ccccn3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7185483
18319,COc1ccc(-c2ccnc(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)c2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7939933
18320,COc1ccc(OCCC2(F)CCCC(NC(=O)c3ccc(F)cc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08688738
18321,COc1ccc(OCCCF)cc1CNCC1CCc2cc(OC)c(OC)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.47522867
18322,COc1ccc(OCCCl)cc1N1CCC(NC(=O)c2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.25600058
18323,COc1ccc(OCCN2CCN(Cc3cccc(F)c3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5222869
18324,COc1ccc(OCCNS(=O)(=O)c2cccc(C(C)C)c2)cc1C1CCCN1,[*]CCOc1ccc(O[*])c([*])c1,0.17751825
18325,COc1ccc(OCCOS(C)(=O)=O)cc1CC(=O)Cc1ccc2c(c1)CCCC2OCC1CCCCN1,[*]CCOc1ccc(O[*])c([*])c1,0.16914646
18326,COc1ccc(OCCSC)cc1CNCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.15104675
18327,COc1cccc(CN2CCN(CCCCN3CCCc4ccccc4C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7420013
18328,COc1cccc(CN2CCN(CCCN3C(=O)CC(C)c4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5414658
18329,COc1cccc(NC2CCN(CCOc3ccc(ON=S(C)(=O)O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32283506
18330,COc1ccccc1N1CCN(CCN2CCC(CNc3cccc4ccc(O)nc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5870145
18331,COc1ccccc1N1CCN(CCN2CCC(c3c[nH]c4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7677844
18332,COc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccc(Cl)cc4)on3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8217712
18333,COc1ccccc1N1CCN(CCN2CCC(n3c(O)nc4ccccc4c3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7596603
18334,COc1ccccc1N1CCN(c2cc(OCCCCN)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.35412723
18335,CSCCOc1ccc(ON2CCCC(C(=O)c3ccc(F)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15455805
18336,Cc1cc(OCCCCCc2ccc3c(c2)NC(=O)CC3)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.19100319
18337,Cc1cc(OCCCOCCc2ccc3c(c2)CC(=O)CC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.21778998
18338,Cc1cc(OCCN2CCN(Cc3cccnc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.42191195
18339,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2648313
18340,Cc1cc(OCCOS(C)(=N)=O)ccc1ON1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25114855
18341,Cc1ccccc1N1CCN(CCN2CCC(C(C)(C)C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7471315
18342,Cc1ccccc1N1CCN(CCN2CCC(Cc3ccc4nc(O)ccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5863187
18343,Cc1ccccc1N1CCN(CCN2CCC(c3nc(-c4ccccc4)cnc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6334789
18344,FC(F)(F)c1ccc(OCC2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83919835
18345,O=C(NCCCN1CCN(Cc2cccc(Cl)c2)CC1)c1cccc2c1-c1ccccc1C2=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3969648
18346,O=C1CCc2cc(F)ccc2N1c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67388666
18347,O=C1c2ccccc2S(=O)(=O)N1CCc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66728437
18348,Oc1cc2c(cc1O)C1Cc3cccc(-c4ccc5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6532782
18349,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.86051494
18350,CC(C)Oc1ccccc1N1CCN(CCN2CCC(n3cccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8526593
18351,CCCCc1ccc(C=O)cc1CCOc1ccc(OC)c(CN2CCN(C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36353484
18352,CCCCc1ccccc1NOc1ccc(OCCC)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.10554219
18353,CCCCn1cc(CCOc2ccc(OC)c(CN3CCN(c4ccccc4OC)CC3)c2)nn1,[*]CCOc1ccc(O[*])c([*])c1,0.80442846
18354,CCCOCOc1ccc(OCCOC)cc1CN1CCN(c2ccccc2OCC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8054974
18355,CCCOc1ccc(OC)c(N2CCN(Cc3cccc(S(C)(=O)=O)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6368255
18356,CCCOc1ccc(ON2CCC(c3ccccc3F)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37442544
18357,CCCOc1ccc(ON2CCCC(Cc3ccc(F)cc3)C2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25147742
18358,CCCOc1ccc(ON2CCN(C)CC2)c(CF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3814925
18359,CCCOc1ccc(ON2CCN(C=O)CC2)c(NCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23486017
18360,CCCOc1ccc(ON2CCN(Cc3cccc(OC)c3)CC2)c(C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.47368255
18361,CCCOc1ccc(ON2CCN(c3ccc(F)cc3)CC2)c(NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0925649
18362,CCCOc1ccc(OOC)c(-c2ccccc2OCC(F)(F)F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17197393
18363,CCCOc1ccc(OS(C)(=O)=O)c(CC(C)COc2ccc3c(c2)CCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22823124
18364,COC(=O)c1cccc(N2CCN(Oc3ccc(OCCc4ccc(F)cc4)cc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.097284555
18365,COC1CCN(CCN2CCN(c3ccccc3-c3cccc(C)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79560703
18366,COC1CCN(CCN2CCN(c3ccccc3COc3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72655034
18367,COCCOc1ccc(OC)c(COc2ccc(C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09077571
18368,COCCOc1ccc(OCN2C(=O)CCc3ccc(F)cc32)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25299135
18369,CON=Cc1cccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59387785
18370,COc1cc2c(cc1O)C1Cc3cccc(-c4ccccc4COC(C)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44886962
18371,COc1cc2c(cc1OCc1cccc(C#N)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65214634
18372,COc1ccc(Br)c(C(=O)Nc2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)c1OC,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.41761625
18373,COc1ccc(OCCC(N)=O)cc1N1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.20619819
18374,COc1ccc(OCCCC2C(=O)CCc3ccc(CC(C)=O)cc32)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.15143678
18375,COc1ccc(OCCCCF)cc1NCS(=O)(=O)c1ccc(C(N)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.033823997
18376,COc1ccc(OCCCS(=O)(=O)c2cccc(F)c2)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6536063
18377,COc1ccc(OCCCl)cc1NC(=O)COc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.01538383
18378,COc1ccc(OCCN2CCC(Oc3ccc(CC(F)(F)F)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5418937
18379,COc1ccc(OCCN2CCCC2C(=O)CCc2ccc(F)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.19322744
18380,COc1ccc(OCCNC(=O)COc2ccccc2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.031809688
18381,COc1ccc(OCCNC(=O)Cc2ccc3c(c2)NC(=O)CC3)cc1CN(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.041589983
18382,COc1ccc(OCCNC(=O)c2cccc(S(C)(=O)=O)c2)cc1N1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.32205516
18383,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(Oc2ccc(SC)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20841798
18384,COc1ccc(OCCS(C)(=O)=O)cc1NC(=O)COc1ccc(C(F)(F)F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.009385684
18385,COc1cccc(CN2CCN(CCCCC3Nc4ccccc4CC3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67071724
18386,COc1cccc(CN2CCN(CCCN3CCCCC3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4058993
18387,COc1cccc(CN2CCN(CCCc3ccc4ccoc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6456674
18388,COc1cccc(CN2CCN(CCCc3cccc(NC(=O)c4ccccc4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.32222468
18389,COc1cccc(COCc2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63069415
18390,COc1cccc2c1CN1CCc3cc(-c4ccc(OS(C)(=O)=O)cc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69860524
18391,COc1cccc2c1CN1CCc3cc(-c4ccccc4)c(CN(C)C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5996448
18392,COc1cccc2c1CN1CCc3cc(C4COCCN4CCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5910452
18393,COc1ccccc1N1CCN(CCN2CCC(Nc3ccc(-c4ccccn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8574458
18394,COc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccccc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.91791964
18395,COc1ccccc1N1CCN(CCN2CCC(c3ccccc3OCCF)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87819827
18396,COc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccc(F)cc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8171703
18397,COc1ccsc1-c1cc(C(=O)NCCN2CCN(C)CC2)ccc1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.287867
18398,Cc1ccccc1-c1cc(C(=O)NCCN2CCN(C)CC2)ccc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.24281964
18399,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cnc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6195381
18400,O=C(c1ccccc1)C1CCN(CCN2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5618092
18401,O=C1CCc2cc(Cc3cccc(CN4CCN(CCCF)CC4)c3)ccc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6916124
18402,O=C1c2ccccc2NC(C=NCCCCN2CCN(Cc3cccc(F)c3)CC2)N1c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5649712
18403,Oc1cc2c(cc1O)C1Cc3cccc(Br)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.81429654
18404,Oc1ccc2c(c1)OC(CNc1ccccc1N1CCN(CCN3CCC(O)CC3)CC1)CC2,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5080532
18405,CC(=O)S(=O)(=O)OCCOc1ccc(ON2CCCC(Cc3ccc(F)cc3)C2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11077704
18406,CC1(c2cccc(CN3CCN(CCCCl)CC3)c2)CN(c2ccccc2)C1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5316887
18407,CC=S(O)c1cc2c(cc1Br)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7577548
18408,CCCCN1CCN(Cc2cccc(-c3ccc(F)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6164543
18409,CCCOc1ccc(ON=S(C)(=O)O)c(NCCC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.02961171
18410,CCCOc1ccc(ONCc2ccccc2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10949547
18411,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Oc3ccc(SC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21269804
18412,CCCOc1ccc(OS(C)(=O)=O)c(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26967642
18413,CCCOc1ccc(OS(C)(=O)=O)c(NC2(C)Cc3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16303173
18414,CCNCCCOc1ccc(OC)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.153021
18415,CCOc1ccccc1N1CCN(c2cc(OCCNC(C)=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25460488
18416,CCSOc1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.56011766
18417,CN(C)c1cc2c(cc1Br)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7452636
18418,COC(=O)CCCN1CCN(Cc2cccc(OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4426544
18419,COC1CCN(CCN2CCN(c3ccccc3-c3ccc4ncc(O)cc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7000724
18420,COCC1CCN(Oc2ccc(OCCc3ccc(F)cc3)cc2C)C1,[*]CCOc1ccc(O[*])c([*])c1,0.32958773
18421,COCCCN1CCN(Cc2cccc(C3CCc4ccc(OC)cc4N3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6727876
18422,COCCCN1CCN(Cc2cccc(CNC(=O)C3(c4ccccc4)CCCC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.38987693
18423,COCCOc1ccc(OC)c(CN2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.57728434
18424,COCCOc1ccc(OC)c(CN2CCCN(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7349313
18425,COOc1ccc(OCCC(O)COc2ccc3c(c2)CC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.14833862
18426,COc1cc2c(cc1-c1cccn1C)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7783132
18427,COc1cc2c(cc1C(=O)NCc1cccc(C#N)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42258415
18428,COc1cc2c(cc1O)CCN1Cc3c(CNCCc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64583784
18429,COc1ccc(Br)cc1S(=O)(=O)C1CCN(CCN2CCN(c3ccccc3OC(C)C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7217452
18430,COc1ccc(OCCC(C)=O)cc1C(F)CCc1ccccn1,[*]CCOc1ccc(O[*])c([*])c1,0.04250034
18431,COc1ccc(OCCCN)cc1CN1CCC(c2cccc(C(F)(F)F)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5824451
18432,COc1ccc(OCCCN2CCC(Oc3ccccc3C)CC2)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.63142073
18433,COc1ccc(OCCCO)cc1CN1CCN(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6185724
18434,COc1ccc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1S(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.5150481
18435,COc1ccc(OCCNCCc2ccc3c(c2)C(=O)CC3)cc1C(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.102469094
18436,COc1ccc(OCCOS(C)(=O)=O)cc1CNCc1ccc(S(C)(=O)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.059637714
18437,COc1cccc(CN2CCN(CCCC(=O)Nc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.27466875
18438,COc1cccc(CN2CCN(CCCCc3cc4ccccc4s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7301079
18439,COc1cccc2c1CN1CCc3cc(CNC(C)c4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35199445
18440,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cccc(O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9165339
18441,CSc1ccc(CC2CCN(Cc3cc(OCCF)ccc3ONS(C)(=O)=O)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.37861422
18442,Cc1cc(OCCCCCc2ccccc2)ccc1ON(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10615286
18443,Cc1cc(OCCCN2CCC(Oc3ccc4c(c3)NC(=O)CC4)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.67041266
18444,Cc1cc(OCCN2CCC(c3ccccc3OC3CCC3)CC2)ccc1OBr,[*]CCOc1ccc(O[*])c([*])c1,0.6562749
18445,Cc1cc(OCCNCCc2cccc3c2CCC(=O)N3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.11589949
18446,Cc1cc(OCCNCCc2ccccc2)ccc1ONS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.16203249
18447,Cc1cc2c(cc1OC(C)(C)C)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7426076
18448,Cc1cccc(OCC(=O)CCOc2ccc(OS(N)(=O)=O)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.015653916
18449,Cc1ccccc1N1CCN(CCN2CCC(C(=O)N3Cc4ccccc4C3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.55315655
18450,Cc1ccccc1N1CCN(CCN2CCC(CC(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66929436
18451,Cc1nn(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)cc1-c1ccccc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78511554
18452,FCCCN1CCN(Cc2cccc(-c3ccc4ccccc4n3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.73143333
18453,Fc1ccccc1N1CCN(CCN2CCC(c3cn4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71034175
18454,N#Cc1ccc2cccc(Cc3cccc4c3CN3CCc5cc(O)c(O)cc5C3C4)c2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66301817
18455,O=C(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1ccc(-c2ccccc2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.47331926
18456,O=C1CCc2ccc(Oc3cccc(CN4CCN(CCCF)CC4)c3)cc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.765956
18457,O=C1CCc2ccc(Oc3ccccc3N3CCN(CCN4CCC([N+](=O)[O-])CC4)CC3)cc2N1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6648202
18458,Oc1cc2c(cc1-c1cccc3ccccc13)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5628407
18459,CC(=O)N1CCN(CCCOc2ccc(OS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3135345
18460,CC(=O)c1ccc(C2CCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)C2=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.15123866
18461,CC(=O)c1ccccc1N1CCN(CCN2CCC(NCc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6598544
18462,CC(C)Oc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5549699
18463,CC1CCN(CCN2CCN(c3ccccc3C(=O)NCc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6672308
18464,CCC(=O)Oc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59706736
18465,CCCOc1ccc(OC(C)=O)c(N2CCN(c3ccccc3OCC(F)(F)F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18968819
18466,CCCOc1ccc(OCN2CCN(Cc3cccc(S(C)(=O)=O)c3)CC2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35521266
18467,CCCOc1ccc(ON2CCN(Cc3cccc(OC)c3)CC2)c(N)c1,[*]CCOc1ccc(O[*])c([*])c1,0.58555335
18468,CCCOc1ccc(ONC(=O)c2ccccc2OCC)c(NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.023141365
18469,CCCOc1ccc(ONCC2CCCCN2c2ccccc2OC)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37762785
18470,CCCOc1ccc(ONS(C)(=O)=O)c(NC(=O)CCc2ccc3c(c2)CCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05833186
18471,CCCOc1ccc(OOC)c(N2CCC(CCc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4416985
18472,CCCOc1ccc(OOC)c(N2CCC(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3646337
18473,CCCOc1ccc(OOC)c(N2CCC(c3cccc(NC(=O)C(C)C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22722489
18474,CCCOc1ccc(OS(C)(=O)=O)c(CCCc2ccc(C3CCCC(=O)N3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22102033
18475,CCOc1ccccc1CCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5552047
18476,CCOc1ccccc1NCc1cc(OCCC(N)=O)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.011643416
18477,CCc1ccccc1OC1CCN(CCOc2ccc(ONS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.599553
18478,CNc1cccc2c1CN1CCc3cc(OCc4ccccc4)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56738716
18479,COCCCN1CCN(Cc2cccc(N3C(=O)CSc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6351296
18480,COCCCN1CCN(Cc2cccc(NC(=O)C=Cc3cccs3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.30044985
18481,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccc(NC(C)=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40171573
18482,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(CO)cc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.712674
18483,COc1ccc(Cc2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6979458
18484,COc1ccc(OCCCN=O)cc1CN1CCC(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.55535233
18485,COc1ccc(OCCCNC(=O)Cc2ccc3ccccc3c2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.030211987
18486,COc1ccc(OCCF)cc1N1CCN(CCc2ccc(C(=O)NS(C)(=O)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.61966
18487,COc1ccc(OCCN2CCC(Cc3noc4ccccc34)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.68710154
18488,COc1ccc(OCCN2CCC3CCCC4CCCCN4C(=O)C3C2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.37043327
18489,COc1ccc(OCCN2CCCC(CCc3ccccc3)C2)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.44527614
18490,COc1ccc(OCCNS(C)(=O)=O)cc1COc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.20539936
18491,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCCC(Cc2ccc3c(c2)NC(=O)CCCC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2811761
18492,COc1ccc(OCCSC)cc1N1CCN(c2ccccc2OCC(C)C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.38093117
18493,COc1ccc2nc(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)ccc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.639962
18494,COc1cccc(C(=O)Nc2cccc(CN3CCN(CCCF)CC3)c2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.31782946
18495,COc1cccc2c1CN1CCc3cc(-c4cc(C#N)cc5ccccc45)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66779226
18496,COc1cccc2c1CN1CCc3cc(CNCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5974525
18497,COc1ccccc1N1CCN(CCN2CCC(c3cnc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.89661074
18498,COc1ccccc1N1CCN(c2cc(OCCNC=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.32023028
18499,CSc1ccccc1N1CCN(CCN2CCC(c3ccnc(-c4ccc(Cl)cc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7808029
18500,Cc1cc(OCCN2CCC(Oc3ccc4c(c3)NC(=O)CCS4)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5044218
18501,Cc1cc(OCCN=S(C)(=O)O)ccc1OCCCc1ccc(C2CCCN(C)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.28340685
18502,Cc1cc(OCCNCC=Cc2ccc(F)cc2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09987548
18503,Cc1cc(OCCNS(C)(=O)=O)ccc1OCN1CCC(C(=O)OC(C)C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2107612
18504,Cc1cc(OCCNS(C)(=O)=O)ccc1ONC(=O)Cc1ccc(C2CCN(C)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.108376846
18505,Cc1cccc2c1CS(=O)(=O)N2c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6112303
18506,Fc1ccccc1N1CCN(CCN2CCC(c3ccccc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7464994
18507,Fc1ccn(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8022154
18508,N#Cc1ccc2c(-c3cc4c(cc3O)C3Cc5cccc(O)c5CN3CC4)cccc2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62502986
18509,O=C(Nc1cccc(Cl)c1)C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.63623464
18510,Oc1cc2c(cc1-c1ccc(COc3ccccc3)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7119947
18511,Oc1cc2c(cc1-c1cccc3cc[nH]c13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7415581
18512,Oc1cc2ccccc2n1Cc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69025886
18513,Oc1ccc2c(OCc3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)cccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7998997
18514,C=CS(=O)(=O)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.554217
18515,CC(=O)N1CCN(COc2ccc(OCCc3cc(C)on3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.08387524
18516,CC(C)c1ccccc1N1CCN(CCN2CCC(N3C(=O)CCc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7683104
18517,CC1CCN(CCN2CCN(c3ccccc3-c3ccc(C#N)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7301132
18518,CCCOc1ccc(OBr)c(N2CCCC(Cc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29419664
18519,CCCOc1ccc(OCN2CCCN(c3ccc(F)cc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.59984946
18520,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22364484
18521,CCCOc1ccc(OS(C)(=O)=O)c(CCOc2ccccc2C2CCCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23736642
18522,CCOC(=O)N1C=CN(CCCOc2ccc(OC)c(F)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.16082184
18523,CCOc1ccccc1C1CCN(CCOc2ccc(OC)c(OC)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.62926877
18524,CNC(=O)c1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5593548
18525,COC1CCN(CCN2CCN(c3ccccc3-c3cccc4ncccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7637159
18526,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3ccc(-c4cccc(F)n4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.693177
18527,COCCOc1ccc(OCN2CCN(c3ccccc3OCCF)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.65490663
18528,COc1cc2c(cc1C)CCN1Cc3c(cccc3OCc3cccc4ccccc34)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6953072
18529,COc1cc2c(cc1CNc1ccccc1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.37042812
18530,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc(N)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6522035
18531,COc1cc2c(cc1O)CCN1Cc3c([O-])cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.757223
18532,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)NCC3CC3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4646013
18533,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)Nc3c(OC)cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4839243
18534,COc1cc2c(cc1O)CCN1Cc3c(cccc3Oc3ccc4[nH]ccc4c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7803524
18535,COc1cc2c(cc1O)CCN1Cc3c(cccc3[N+](O)=Cc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7483421
18536,COc1cc2c(cc1OC)C1Cc3cccc(CS(=O)(=O)c4ccc(C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46602425
18537,COc1cc2c(cc1OCc1cccc3ccccc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74382913
18538,COc1ccc(-c2cc3c(cc2Br)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7409213
18539,COc1ccc(OCCC=O)cc1N1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.33308476
18540,COc1ccc(OCCCC(C)=O)cc1NC(=O)CSc1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.017074548
18541,COc1ccc(OCCCNC(=O)c2ccccc2S(C)(=O)=O)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.042899806
18542,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)C(=O)C4)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.54933333
18543,COc1ccc(OCCN2CCN(c3cccc(OS(C)(=O)=O)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.72837347
18544,COc1ccc(OCCN=S(C)(=O)O)cc1CN1CCC(c2ccccc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3655806
18545,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(Oc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21999756
18546,COc1ccc(OCCNC(C)=O)cc1NCC1CCN(S(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.040802866
18547,COc1ccc(OCCNCCc2ccc3c(c2)CCc2ccc(cc2)CC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2067206
18548,COc1ccc(OCCNCc2cccs2)cc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.17989847
18549,COc1cccc(C#Cc2cc3c(cc2OC)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68380356
18550,COc1cccc(CN2CCN(CCCC(=O)c3cc4ccccc4oc3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62765676
18551,COc1cccc(CN2CCN(CCC[SH]3(=O)CC(=O)Nc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.563983
18552,COc1cccc(CN2CCN(CCCc3cccc(N4CCOC4=O)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5713789
18553,COc1ccccc1-c1cc(C(=O)NCCN2CCN(O[N+](=O)[O-])CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.271606
18554,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(O)CC2)cc1[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3313568
18555,COc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3ccc4ccc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8311875
18556,COc1ccccc1N1CCN(Oc2ccc(OCCNC(C)=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2181294
18557,COc1ccccc1NC(=O)c1cc(OCCCCNC(=O)c2ccc(F)cc2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.028212693
18558,CSOc1ccc(OCCN2CCC(Oc3ccccc3C3CCCNC3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5278465
18559,CSOc1ccc(OCCNC(=O)COc2ccc3c(c2)CC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.06573877
18560,Cc1cc(OCCN2CCC(Cc3ccccc3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5522402
18561,Cc1cc2ccccc2n1C(=O)c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5247727
18562,Cc1cccc2c1CN1CCc3cc(-c4ccncc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57325447
18563,ClC1CCN(CCN2CCN(c3ccccc3-n3cc(-c4ccccc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8150611
18564,O=C(NCc1ccc(F)cc1)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42704815
18565,O=C(NCc1cccc(CN2CCN(CCCF)CC2)c1)c1ccc2ccccc2n1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49788335
18566,O=C([O-])c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43367437
18567,O=C1Nc2ccccc2CC1c1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6673602
18568,C=Cc1ccccc1OC1CCC(Nc2cc(OCCSC)ccc2OC)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2222148
18569,CC(O)c1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5550483
18570,CC1CCN(CCN2CCN(c3ccccc3-c3cccc4cccnc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75914323
18571,CCCC(=O)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5526112
18572,CCCNCc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7138575
18573,CCCNS(=O)(=O)Oc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5670719
18574,CCCOc1ccc(OC(=O)c2cccc(OC)c2)c(N2CCC(Oc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17978439
18575,CCCOc1ccc(OC)c(CCOc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13513957
18576,CCCOc1ccc(OC)c(N2CCN(Cc3cccc(NS(C)(=O)=O)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.578856
18577,CCCOc1ccc(OCCNC(=O)c2ccccc2C)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.038678255
18578,CCCOc1ccc(OCOCc2ccccc2)c(N2CCCN(c3cccc(OC)c3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33811927
18579,CCCOc1ccc(ONCCc2ccccc2)c(CN(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11809511
18580,CCCOc1ccc(ONS(C)(=O)=O)c(CN2CCC(C(=O)c3ccc(C(C)=O)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33614203
18581,CCCOc1ccc(OOC)c(CN2CCC(c3ccccc3C(F)(F)F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.66771024
18582,CCCOc1ccc(OS(C)(=O)=O)c(N2CCN(c3cccc(F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31684726
18583,CCCOc1ccc(OS(C)(=O)=O)c(NCc2ccc(Cl)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05700278
18584,CCN1C(=O)c2ccccc2[S+]([O-])c2ccc(C(=O)NCCOc3ccc(ONS(C)(=O)=O)c(C)c3)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.4817226
18585,CCOc1ccccc1N1CCN(c2cc(OCCN)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.37054142
18586,CN(C)c1cccc(Cc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6991929
18587,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(C(F)(F)F)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7612237
18588,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccc4cc(O)ccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.677047
18589,COCCCN1CCN(Cc2cccc(N3C(=O)S(=O)(=O)c4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6106945
18590,CON1CCN(CCNC(=O)c2ccc(Br)c(-c3cccc([N+](=O)[O-])c3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.23982593
18591,COc1cc(C(=O)NCCN2CCN(O)CC2)ccc1-c1cccc(C)n1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.22186205
18592,COc1cc2c(cc1C)CCN1Cc3c(C#N)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7885379
18593,COc1cc2c(cc1O)C1Cc3cccc(-c4cccc(C=O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69001424
18594,COc1cc2c(cc1OC)C1Cc3cccc([N+](=O)c4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6640537
18595,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(cccc3OO)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7687653
18596,COc1ccc(C(F)(F)c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77439654
18597,COc1ccc(OCCC(=O)COc2ccccc2)cc1CN1CCC(C(=O)O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.41479084
18598,COc1ccc(OCCF)cc1NS(=O)(=O)Cc1ccc([SH](C)(C)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.04720064
18599,COc1ccc(OCCN2CC=C(c3ccccc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.6044418
18600,COc1ccc(OCCN2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.60864425
18601,COc1ccc(OCCN2CCC(c3cc(C(F)(F)F)ccn3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.69434565
18602,COc1ccc(OCCN=S(C)(=O)O)cc1-c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.06235263
18603,COc1ccc(OCCN=S(C)(=O)O)cc1NCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.055959318
18604,COc1ccc2cc(C(=O)Nc3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)[nH]c2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.36156368
18605,COc1cccc(CN2CCN(CCCC3OCCc4ccc(N)cc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61792094
18606,COc1cccc(CN2CCN(CCCCc3cc(C=C(C)O)co3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7040961
18607,COc1cccc(CN2CCN(CCCc3cc(=O)[nH]c4ccccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5449813
18608,COc1cccc2c1CN1CCc3cc(Cc4ccc(C)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5857643
18609,COc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9553649
18610,COc1ccccc1N1CCN(CCN2CCC(c3cc(C)cs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8327962
18611,COc1ccccc1N1CCN(CCN2CCC(c3cn(-c4ccccc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81365085
18612,COc1ccccc1[N+](=O)c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.38642964
18613,Cc1cc(OCCC=[SH]O)ccc1ON1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29675844
18614,Cc1cc(OCCCN2CCc3ccccc3C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5326717
18615,Cc1cc(OCCNC(=O)OCCc2ccccc2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.067697786
18616,Cc1cc(OCCNS(C)(=O)=O)ccc1ONCS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07301526
18617,ClC1CCN(CCN2CCN(c3ccccc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8639899
18618,Cn1cc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)nn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7395641
18619,O=C1CN(CCCN2CCN(Cc3cccc(F)c3)CC2)C(=O)N1c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61029077
18620,O=S(O)(O)=CCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5702491
18621,O=c1oc2ccccc2c(=O)n1-c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6052232
18622,Oc1cc2c(cc1F)CCN1Cc3c(cccc3OCCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74362975
18623,c1ccc(-c2ccccc2N2CCN(CCN3CCC(c4ccccn4)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8133636
18624,CC(C)c1ccccc1N1CCN(CCN2CCC(c3ccco3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6522777
18625,CCCOc1ccc(OCN2CCN(C(=O)c3ccccc3)CC2)c(OC(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.097992316
18626,CCCOc1ccc(ON2CCC(C(=O)c3ccc(F)cc3)CC2)c(S(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2546585
18627,CCCOc1ccc(OOC)c(N2CC(C)CN(c3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25260538
18628,CCCOc1ccc(OOC)c(N2CCC(NC(=O)c3cccc(C(F)(F)F)c3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19347996
18629,CCCOc1ccc(OS(C)(=O)=O)c(C2CCCC(COc3ccc4c(c3)NC(=O)CC4)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33324444
18630,CCN=Cc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69519365
18631,CCOCCCN1CCN(Cc2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.35475945
18632,CCOc1ccccc1N1CCN(COc2ccc(OCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.63689953
18633,CCOc1ccccc1N1CCN(c2cc(OCCC(=O)OC)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2636117
18634,CN1CCN(CCNC(=O)c2ccc(Cl)c(-c3ccccc3C#N)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.36141357
18635,COCCCN1CCN(Cc2cccc(C3OCSc4c(C=O)cccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5419042
18636,COCCOc1ccc(OC)c(C2CCc3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4423605
18637,COc1cc2c(cc1C(C)N)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75576043
18638,COc1cc2c(cc1Cl)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7891256
18639,COc1cc2c(cc1OC)C1Cc3cccc(OCCc4ccc(C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61963403
18640,COc1cc2c(cc1OC)CC(NCCOc1ccc(OOS(C)(=O)=O)c(C)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.3903303
18641,COc1cc2c(cc1OCc1ccc(C(F)(F)F)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7283785
18642,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(cccc3C(C)=O)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47666475
18643,COc1ccc(C2CCN(CCOc3ccc(OC)c(N=S(C)(=O)O)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.59941417
18644,COc1ccc(C=Nc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77852786
18645,COc1ccc(CC2CCCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.35857323
18646,COc1ccc(CC2CCN(Cc3cc(OCCNS(C)(=O)=O)ccc3OOS(C)(=O)=O)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.39149126
18647,COc1ccc(CNc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49546477
18648,COc1ccc(CO)c(-c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73588455
18649,COc1ccc(COc2cc3c(cc2OC)CCN2Cc4c(O)cccc4CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7124211
18650,COc1ccc(OCCC(=O)C2CCCN2)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.09033206
18651,COc1ccc(OCCC(N)=O)cc1-c1ccccc1CCCF,[*]CCOc1ccc(O[*])c([*])c1,0.06309883
18652,COc1ccc(OCCC(N)=O)cc1CCC1CCc2ccc(F)cc2C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.17798734
18653,COc1ccc(OCCC(N)=O)cc1CN1CCc2cc(OC)c(OC)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.3390776
18654,COc1ccc(OCCC(N)=O)cc1NCCc1ccc(C)c2cc(F)ccc12,[*]CCOc1ccc(O[*])c([*])c1,0.02781475
18655,COc1ccc(OCCCC(=O)c2ccc(F)cc2)cc1N1CCC(=O)NC1,[*]CCOc1ccc(O[*])c([*])c1,0.2505578
18656,COc1ccc(OCCCNCC2CCc3ccccc3O2)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.5391224
18657,COc1ccc(OCCF)cc1NC(=O)Cc1ccc2c(c1)N(S(C)(=O)=O)CCC2,[*]CCOc1ccc(O[*])c([*])c1,0.077145
18658,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(=O)C(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23232119
18659,COc1ccc(OCCNC(C)=O)cc1N1CCCC(Cc2ccc(OC3CCCCC3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.09567666
18660,COc1ccc(OCCOS(C)(=O)=O)cc1N1CCCC(CCc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31194726
18661,COc1cccc(Cc2cccc3c2CN2CCc4cc(OCc5ccccc5)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61903274
18662,COc1cccc(Nc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5087741
18663,COc1ccccc1CC1CCCN1CCOc1ccc(OC)c(SC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.53106225
18664,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3cccc(OC)c3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81343853
18665,COc1ccccc1N1CCN(CCN2CCC(c3cnc(C)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8326423
18666,COc1ccccc1N1CCN(Oc2ccc(OCCC=Cc3ccco3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3420687
18667,CS(=O)(O)=NCCOc1ccc(OF)c(N2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16216576
18668,Cc1cc(OCCF)ccc1ON1CCCC(C(=O)c2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.14536169
18669,Cc1cc(OCCN2CCC(Cc3ccc(OC4CCC(=O)NC4)cc3)CC2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5202868
18670,Cc1cc(OCCNS(=O)(=O)c2ccc(C(C)C)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.044198573
18671,Cc1cc(OCCNS(C)(=O)=O)ccc1OCNCC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.26944757
18672,Cc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65408325
18673,Cc1cccc2c1CN1CCc3cc(-c4ccc5cc[nH]c5c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62733924
18674,Cc1ccccc1N1CCN(CCN2CCC(c3cccn3Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.684812
18675,O=C(O)c1cc2c(cc1O)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56160164
18676,O=C1Nc2ccccc2C(c2cccc(CN3CCN(CCCCl)CC3)c2)O1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6195705
18677,Oc1nc2ccc(F)cc2n1-c1ccccc1N1CCN(CCN2CCC(O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7024982
18678,C#Cc1ccccc1-c1ccc(C(=O)NCCN2CCN(O)CC2)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3096313
18679,CC(C)Oc1ccccc1N1CCN(CCN2CCC(n3cnc(-c4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8453113
18680,CCCOc1ccc(OC(O)COc2ccccc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08702979
18681,CCCOc1ccc(OC)c(C(=O)C2CCN(Cc3ccc(C(C)C)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.45167834
18682,CCCOc1ccc(OC)c(CNc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10776917
18683,CCCOc1ccc(OC)c(N2CCCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28218415
18684,CCCOc1ccc(OCNc2ccccc2OCC)c(N2CCOCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08695491
18685,CCCOc1ccc(OF)c(CN2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6239443
18686,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(Cc3ccc(CC(N)=O)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10775035
18687,CCCOc1ccc(OSC)c(NCC2CCc3ccc(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.44921872
18688,CCOc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68386
18689,COC(=O)C1CCN(CCN2CCN(c3ccccc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81379455
18690,COC(=O)NCc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43058938
18691,COC(=O)NCc1ccc(OC)c(-c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42971617
18692,COC1CCN(CCN2CCN(c3ccccc3-c3nc4cccccc-4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82061917
18693,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4c(c3)N=C(O)C4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77679473
18694,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4cc(O)ccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73337156
18695,COOc1ccc(OCCF)cc1CNCCc1ccccc1C1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.26444766
18696,COOc1ccc(OCCNc2cc(F)ccc2S(C)(=O)=O)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.028034983
18697,COc1cc2c(cc1-c1c(C)cccc1C)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72913265
18698,COc1cc2c(cc1-c1ccc(Cl)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7529691
18699,COc1cc2c(cc1O)CCN1Cc3c(cccc3NC(=O)c3ccc(C#N)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3141623
18700,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccccc4C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61669093
18701,COc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c(F)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71228117
18702,COc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1cccc([N+](=O)[O-])c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.18836203
18703,COc1ccc(OCCCNC(=O)c2ccccc2)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.70586544
18704,COc1ccc(OCCN2CCC(O)(c3ccccc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.55517536
18705,COc1ccc(OCCN2CCC(Oc3ccc(CC4CCCC4)cc3)CC2)cc1S(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.43599573
18706,COc1ccc(OCCN2CCCC(Oc3ccccc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.47023174
18707,COc1ccc(OCCNC(C)=O)cc1NCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.03435967
18708,COc1ccc(OCCNCC2CCc3c(F)cccc3C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4010717
18709,COc1ccc(OCCS(C)(=O)=O)cc1NCCc1ccc(C(C)(C)O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.040729955
18710,COc1ccc(OCCS(C)(=O)=O)cc1NCCc1cccc2c(C)cccc12,[*]CCOc1ccc(O[*])c([*])c1,0.079847604
18711,COc1cccc2c1CN1CCc3cc(-c4cccc(CON(C)C)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49243015
18712,COc1cccc2c1CN1CCc3cc(CO)c(Cc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5458048
18713,COc1ccccc1-c1cccc(-c2cccc(CN3CCN(CCCCl)CC3)c2)n1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61491865
18714,COc1ccccc1N1CCN(CCN2CCC(N3CCN(c4ccccc4OC)C3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7490228
18715,COc1ccccc1N1CCN(CCN2CCC(Nc3ccncn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8839238
18716,COc1ccccc1N1CCN(CCOc2ccc(OCNC(=O)C=Cc3ccccc3)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6910998
18717,CS(=O)(O)=NOc1ccc(OCCF)cc1CCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.07831077
18718,CSOc1ccc(OCCNCCCC2Cc3ccc(F)cc32)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.33356735
18719,CSc1ccccc1N1CCN(CCN2CCC(COc3ccc4ccc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68918645
18720,Cc1cc(OCCCS(=O)(=O)c2ccc(F)cc2)ccc1OOCC1CCCN1,[*]CCOc1ccc(O[*])c([*])c1,0.14460114
18721,Cc1cc(OCCN=S(C)(=O)O)ccc1OCN1CCC(Oc2ccc3c(c2)NC(=O)CCC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.46138793
18722,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCCC(Cc2ccc(C3CCNC(=O)C3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.1036003
18723,Cc1cc(OCCNC(=O)COc2ccc3c(c2)CC(=O)CC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.05142981
18724,Cc1cc(OCCNS(=O)(=O)c2ccc(F)cc2)ccc1OOC(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.04444716
18725,Cc1ccc(C(=O)NCCN2CCN(C)CC2)cc1COc1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27702615
18726,O=C(NCCN1CCN(Cl)CC1)c1ccc(F)c(-c2csc3ccccc23)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3920905
18727,O=C(NCc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1cc2ccccc2s1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7105885
18728,Oc1cc2c(cc1O)C1Cc3cccc(Cc4cccs4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67508215
18729,Oc1ccc2nc(O)n(-c3ccccc3N3CCN(CCN4CCC(Br)CC4)CC3)c2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.696556
18730,Oc1nc(-c2ccccc2)cc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7844853
18731,C=Cc1ccccc1OC1CCN(Oc2ccc(OCCN=S(C)(=O)O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1684588
18732,CCCCc1ccc(OC2CCN(c3cc(OCCS(N)(=O)=O)ccc3OC)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.2005303
18733,CCCOc1ccc(ON2CCN(C=O)CC2)c(-c2ccc(C(F)(F)F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2327247
18734,CCCOc1ccc(ON2CCN(c3ccccc3OCCF)CC2)c(OCCN)c1,[*]CCOc1ccc(O[*])c([*])c1,0.47692898
18735,CCCOc1ccc(OS(=O)(=O)c2ccc(SC)cc2)c(C2CCCCN2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13914393
18736,CCCOc1ccc(OS(C)(=O)=O)c(CC(C)COc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12127486
18737,CCCOc1ccc(OS(C)(=O)=O)c(CCC(=O)N2CCc3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1332925
18738,CCCOc1ccc(OS(C)(=O)=O)c(CNCC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03297035
18739,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3ccc4c(c3)CCC(=O)N4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3493213
18740,CCOc1ccccc1C1CCN(CCOc2ccc(OC)c(SC(C)=O)c2)CC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.44574505
18741,CCOc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc4cccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7014033
18742,CCc1ccccc1OC1CCN(CCCOc2ccc(OC)c(S(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5730032
18743,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4nc(O)n(C)c4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6613313
18744,COCCOc1ccc(ONCc2ccccc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11450228
18745,COCc1cc2c(cc1O)C1Cc3cccc(OCc4ccc(C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5242249
18746,COOc1ccc(OCCN2CCC(NC(=O)c3ccc(F)c(F)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.47111157
18747,COc1cc2c(cc1Br)CCN1Cc3c(cccc3-c3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7045704
18748,COc1ccc(C)c(CN2CCN(CCOc3ccc(ON=S(C)(=O)O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28770125
18749,COc1ccc(OCCC(=O)COc2cccnc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.05387485
18750,COc1ccc(OCCCCCc2ccc3c(c2)N(SC)C(=O)CC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1786247
18751,COc1ccc(OCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.95502186
18752,COc1ccc(OCCN2CCC(Cc3ccc(F)cc3)C2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.5941673
18753,COc1ccc(OCCN2CCC(NC(=O)c3ccccc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.58565825
18754,COc1ccc(OCCN2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6635199
18755,COc1ccc(OCCN2CCC(S(=O)(=O)c3ccccc3F)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.68517673
18756,COc1ccc(OCCN2CCC(c3ccc(S(C)(=O)=O)cc3)C2=O)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.26571104
18757,COc1ccc(OCCN2CCC(c3ccccc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.62724155
18758,COc1ccc(OCCN2CCN(C(=O)c3ccc(F)cc3)CC2)cc1C(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.22644787
18759,COc1ccc(OCCNC(=O)CCc2ccccc2)cc1N(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.036340363
18760,COc1ccc(OCCNCCc2ccccc2)cc1C(=O)N1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.079797074
18761,COc1ccc(OCCNCc2cccs2)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16439757
18762,COc1ccc(OCCNS(=O)(=O)c2cccc(Cl)c2)cc1N(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.086914256
18763,COc1ccc(OCCc2cc(C3CCC(=O)CC3)no2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.16690047
18764,COc1ccc2c(c1)CC(CNCCOc1ccc(OS(C)(=O)=O)c(C)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.27934125
18765,COc1cccc(C(=O)C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)c1OC,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8042083
18766,COc1cccc(CN2CCN(CCCNC(=O)c3ccc4ccccc4c3OC)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3519944
18767,COc1cccc(CN2CCN(CCCNS(=O)(=O)c3cccs3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4633207
18768,COc1cccc(Cc2cc3c(cc2O)C2Cc4cccc(C)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5717106
18769,COc1cccc2c1CN1CCc3cc(C#Cc4ccccc4)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6337537
18770,COc1cccc2c1CN1CCc3cc(C(=O)OCc4ccc(C#N)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48634592
18771,COc1cccc2c1CN1CCc3cc(C(F)c4cccc(F)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6564213
18772,COc1ccccc1-c1cc(C(=O)NCCN2CCN(F)CC2)ccc1NC(C)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2370559
18773,COc1ccccc1CCC1CCN(CCOc2ccc(OS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6381286
18774,COc1ccccc1N1CCN(CCCOc2ccc(OC(N)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.87517285
18775,CSc1ccc(N2CCCN(Oc3ccc(OCCF)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.25231797
18776,Cc1cc(OCCCN2CCC(CCc3ccccc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.63921374
18777,Cc1cc(OCCN2CCCC(COc3ccc4c(c3)CCC(=O)N4)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.43788865
18778,Cc1cc(OCCNS(C)(=O)=O)ccc1OCCOc1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.060236704
18779,Fc1ccc(C2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)nn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7895454
18780,Nc1cc2c(cc1-c1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7559275
18781,O=C(NC1Cc2ccccc2C1)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6025737
18782,O=C(NCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(O)c([O-])c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.93619436
18783,Oc1cccc2c1CN1CCc3cc(F)c(Br)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79622287
18784,Oc1cccc2c1nc(O)n2-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7381305
18785,CC(=O)OCCOc1ccc(ONCCc2ccc3c(c2)N(C)C(=O)CC3)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07272869
18786,CC1Cc2ccccc2N1Cc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67125845
18787,CC=S(O)(O)=Cc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63410515
18788,CCCC1CCN(CCOc2ccc(OC)c(OC)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.67914563
18789,CCCOc1ccc(OCl)c(NC(=O)c2ccc(CCC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.024183992
18790,CCCOc1ccc(ON=S(C)(=O)O)c(-c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.059757177
18791,CCCOc1ccc(ONS(C)(=O)=O)c(CCC2Cc3ccccc3CC2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26833057
18792,CCCOc1ccc(OOC)c(CCc2ccccc2N2CCOCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25301498
18793,CCCOc1ccc(OOC)c(N2CCN(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34161767
18794,CCCOc1ccc(OS(=O)(=O)NC)c(CCCc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22556221
18795,CCCOc1ccc(OS(C)(=O)=O)c(-c2ccc(CF)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.058304105
18796,CCCOc1ccc(OS(C)(=O)=O)c(CC2CCCc3ccc(OCC4CCCC4)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32627022
18797,CCCOc1ccc(OS(C)(=O)=O)c(NC(C)COc2ccc3c(c2)CCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17760453
18798,CCNC(=O)Nc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.436682
18799,CCON1CCN(CCNC(=O)c2ccc(OC)c(-c3ccc(Cl)cc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29388067
18800,CCOc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccc(F)cc4)ccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78469205
18801,CCSc1ccc(OC2CCN(c3cc(OCCS(C)(=O)=O)ccc3OC)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.18000506
18802,CCc1ccc(Cc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6744664
18803,CN(Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)S(=O)(=O)c1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60698867
18804,CN1CCN(CCNC(=O)c2ccc(F)c(-c3ccc(Cl)cc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32997447
18805,COOc1ccc(OCCF)cc1CCN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.9050036
18806,COOc1ccc(OCCNC(=O)COc2cc(C)c3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.025855731
18807,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccc(C)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.16103482
18808,COc1cc(C(F)(F)F)ccc1-c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6289733
18809,COc1cc2c(cc1-c1ccc(C)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6517
18810,COc1cc2c(cc1-c1ccccn1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7159805
18811,COc1cc2c(cc1CON)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.86129814
18812,COc1cc2c(cc1O)C1Cc3cccc(C4(O)CCCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.825899
18813,COc1cc2c(cc1O)CCN1Cc3c(Cc4cccc5cccc(OC)c45)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7421043
18814,COc1cc2c(cc1Oc1ccccc1)CCN1Cc3c(CO)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7445108
18815,COc1ccc(OCCC(N)=O)cc1N1CCC(c2ccccc2OC2CC2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2197444
18816,COc1ccc(OCCC2CCC(COc3ccc4c(c3)NC(=O)CC4)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.33262193
18817,COc1ccc(OCCC=O)cc1CN1CCC(S(=O)(=O)c2ccc(C(C)C)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.34408167
18818,COc1ccc(OCCCCCc2ccc3c(c2)N(C)C(=O)CC3)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.26167506
18819,COc1ccc(OCCCCNC(=O)c2ccc(F)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.06050881
18820,COc1ccc(OCCCNC(=O)c2ccoc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.04336462
18821,COc1ccc(OCCCNS(=O)(=O)c2cccc(C(C)C)c2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.09029241
18822,COc1ccc(OCCN2CCC(c3ccccc3)CC2)cc1Br,[*]CCOc1ccc(O[*])c([*])c1,0.77557695
18823,COc1ccc(OCCN2CCCC(Cc3ccc(F)cc3)C2)cc1C(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.37600031
18824,COc1ccc(OCCS(N)(=O)=O)cc1NCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06292038
18825,COc1cccc(CN2CCN(CCCCC(=O)NC3CCCCC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3478153
18826,COc1cccc(CN2CCN(CCCCC3NC(=O)Cc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70061475
18827,COc1cccc2c1CN1CCc3cc(C)c(C=O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.697262
18828,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8508401
18829,COc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccccc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8390898
18830,COc1ccccc1N1CCN(COc2ccc(OCCCC(=O)c3ccc(F)cc3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5780196
18831,CSOc1ccc(OCCN2CCCC(Oc3ccc(SC)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.42266914
18832,Cc1cc2c(cc1-c1ccccn1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6598392
18833,Cc1ccccc1CC1CCCN(CCOc2ccc(OS(C)(=O)=O)c(C)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.38970053
18834,ClC1CCN(CCN2CCN(c3ccccc3-c3ccc(Br)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82635796
18835,FC(F)(F)Oc1cccc(CN2CCN(CCCc3nc4ccccc4s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56826
18836,N#Cc1cccc(C(=O)c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5490818
18837,O=C1C(=O)N(CCCN2CCN(Cc3cccc(Br)c3)CC2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6244423
18838,Oc1ccc2ccc(Oc3ccccc3N3CCN(CCN4CCC(O)CC4)CC3)cc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79863
18839,Oc1cccc2c1CN1CCc3cc(-c4cc5ccccc5[nH]4)c(Br)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6386086
18840,C#CCN(c1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1)C1CCc2ccc(O)cc2C1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7419142
18841,CCCOc1ccc(OC(=O)NSc2ccccc2Cl)c(OC2CCNCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13825232
18842,CCCOc1ccc(OF)c(C2CN(c3ccccc3OC)CCN2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35708484
18843,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCCC(c3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18740153
18844,CCCOc1ccc(ONC=O)c(N(C)CCc2cccs2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11730117
18845,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(Oc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4913061
18846,CCCOc1ccc(ONS(C)(=O)=O)c(NC(=O)COc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07735781
18847,CCOCCOc1ccc(OC)c(N2CCN(c3ccccc3OCCF)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.41306588
18848,CCc1cc2c(cc1O)C1Cc3cccc(-c4cccc(OC(F)(F)F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48623422
18849,COC(=O)c1cc(-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c2ccccc2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4295492
18850,COC(=O)c1cccc2c1CN1CCc3cc(-c4cccc(OC(F)(F)F)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.438476
18851,COC1CCN(CCN2CCN(c3ccccc3-c3cnccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7940526
18852,COCCCN1CCN(Cc2cccc(-c3ccc(C(F)(F)F)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5474618
18853,COCCCN1CCN(Cc2cccc(-n3c(=O)sc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5632791
18854,COOc1ccc(OCCNC(=O)COc2ccc3c(c2)CCN(C)C3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.13083635
18855,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccc[s+]1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2659866
18856,COc1cc(C(=O)NCCN2CCN(c3ccccc3C)CC2)ccc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.7290773
18857,COc1cc2c(cc1CN(C)C)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65770006
18858,COc1cc2c(cc1Cc1ccccc1C#N)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8040399
18859,COc1cc2c(cc1O)CCN1Cc3c(CNCc4cccc(C=O)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62403893
18860,COc1ccc(-c2cnn3ccccc23)c(-c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64257383
18861,COc1ccc(C(=O)NCCN2CCN(O)CC2)cc1-c1cccc(F)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30836087
18862,COc1ccc(OCCCCN2CCN(c3ccccc3OC)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.9171241
18863,COc1ccc(OCCCN)cc1CCF,[*]CCOc1ccc(O[*])c([*])c1,0.11669016
18864,COc1ccc(OCCN2CCC(c3ccc(F)cc3)CC2)cc1CS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.678685
18865,COc1ccc(OCCNC(=O)Cc2ccc3c(c2)CCCC3)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.052472513
18866,COc1ccc(OCCNCCn2ccc(C(F)(F)F)c2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08992708
18867,COc1cccc(CCNCCOc2ccc(ON=S(=O)(O)O)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15076466
18868,COc1cccc(COC(=O)c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51936615
18869,COc1ccccc1-c1cc(C(=O)NCCN2CCN(OS(C)(=O)=O)CC2)ccc1F,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3561655
18870,COc1ccccc1-c1cc(C(=O)NCCN2CCN([N+](=O)[O-])CC2)ccc1[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29135352
18871,COc1ccccc1-c1cccc(CN2CCN(CCCOC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60465807
18872,COc1ccccc1-c1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83423555
18873,COc1ccccc1CN1CCC(OCCOc2ccc(OS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.47068757
18874,COc1ccccc1N1CCN(CCN2CCC(C(N)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8653041
18875,COc1ccccc1N1CCN(CCN2CCC(Cn3ccc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7811103
18876,COc1ccccc1N1CCN(CCN2CCC(c3ccc4cc(Oc5ccccc5)ccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82046705
18877,COc1ccccc1N1CCN(CCN2CCC(n3cc(C(F)(F)F)ccc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8707907
18878,CS(=O)(=O)c1cc(OCCF)ccc1ON1CCC(S(=O)(=O)c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28101245
18879,Cc1cc(OCCC(C)Cc2ccccc2)ccc1ON1CCN(S(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.16547312
18880,Cc1cc(OCCN2CCC(c3coc4cc(F)ccc34)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6784378
18881,Cc1cc(OCCNC(=O)Cc2ccc(F)cc2)ccc1ON1CCN(C=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.03515481
18882,Cc1cc(OCCNCCc2ccc3c(c2)CCC(=O)C3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1914997
18883,Cc1cc(OCCNS(=O)(=O)c2ccc(F)cc2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.045314193
18884,Cc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(CO)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52220786
18885,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)Nc3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.580111
18886,ClCCCN1CCN(Cc2cccc(CNCc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61075467
18887,FC1CCN(CCN2CCN(c3ccccc3-c3nccc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7233347
18888,N#Cc1ccc(COC(=O)c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58369505
18889,Oc1cc2c(cc1-c1ccc3[nH]ccc3c1)CCN1Cc3c(F)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6454866
18890,Oc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(cccc3Oc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6548038
18891,Oc1ccc2[nH]c(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)nc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68554556
18892,CC(O)c1ccccc1N1CCN(CCN2CCC(c3cccc(O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7089089
18893,CCCCc1cccc(Oc2ccc(OCCC)cc2OC)n1,[*]CCOc1ccc(O[*])c([*])c1,0.10536716
18894,CCCOc1ccc(OC)c(S(=O)(=O)Cc2ccc(S(C)(=O)=O)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07187697
18895,CCCOc1ccc(OCN2CCN(c3ccc(F)c(C)c3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.47002128
18896,CCCOc1ccc(OCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c(N=S(C)(=O)O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.47133163
18897,CCCOc1ccc(ON2CCC(c3ccc(F)cn3)CC2)c(OC(=O)NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13979048
18898,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(CCc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39343575
18899,CCCOc1ccc(OOC)c(CCOc2ccccc2C2CCCNC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30198082
18900,CCCOc1ccc(OOC)c(N2CCCC(CCc3ccc4c(c3)NC(=O)CC4)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3418583
18901,CCCOc1ccc(OS(N)(=O)=O)c(CCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.122536294
18902,CCOCCCOc1ccc(OOC)c(CN2CCCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7187967
18903,CCOc1ccc(C2CCN(c3cc(OCCS(C)(=O)=O)ccc3OC)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.29242337
18904,CCOc1ccccc1C1CCCN(CCOc2ccc(OSC)c(C)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.5032346
18905,CN(CCc1ccccc1)c1cc(OCCF)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.100194946
18906,COC(=O)c1ccc(-c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47209442
18907,COC1CCN(CCN2CCN(c3ccccc3-c3cc(-c4ccccc4)cnc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75803864
18908,COOc1ccc(OCCCCF)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.82138616
18909,COc1cc2c(cc1-c1cccc(C#N)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65727746
18910,COc1cc2c(cc1O)C1Cc3cccc(C(=O)OCc4ccc(C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52448994
18911,COc1cc2c(cc1O)C1Cc3cccc(N4CCCC4OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5592616
18912,COc1cc2c(cc1O)C1Cc3cccc(OC(=O)OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5137924
18913,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc([N+](C)=O)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6283657
18914,COc1cc2c(cc1O)CCN1Cc3c(cccc3[SH](C)(=O)O)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70244193
18915,COc1cc2c(cc1OC)C1Cc3cccc(C=NOCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7459466
18916,COc1cc2c(cc1OC)C1Cc3cccc(C=NOc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76408815
18917,COc1cc2c(cc1OC1CCCCC1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66646093
18918,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(-c4cccc(NC(C)=O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.28490984
18919,COc1ccc(-c2cc3c(cc2Cc2ccccc2)CCN2Cc4c(cccc4OC)CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6576947
18920,COc1ccc(OCCCNCc2ccccc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.18794481
18921,COc1ccc(OCCN2CCC(NC(=O)c3ccccc3)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5705665
18922,COc1ccc(OCCN2CCN(CC3CCCCC3)CC2=O)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.30608064
18923,COc1ccc(OCCN=O)cc1N1CCC(c2cc(C)on2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20320849
18924,COc1ccc(OCCNCCc2cccs2)cc1S(=O)(=O)[O-],[*]CCOc1ccc(O[*])c([*])c1,0.15243472
18925,COc1ccc(OCCS(=O)(=O)N=O)cc1CC1CCCC(Cc2ccc3c(c2)NC(=O)CC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2760266
18926,COc1cccc(-c2cc3c(cc2CO)CCN2Cc4c(cccc4OC)CC32)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6368499
18927,COc1cccc(Oc2cc3c(cc2OC)CCN2Cc4c(O)cccc4CC32)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8544304
18928,COc1cccc(Oc2ccccc2N2CCN(CCN3CCC(C)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8023239
18929,COc1ccccc1C(=O)NCc1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69139886
18930,COc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccccc4)cnn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8789823
18931,CSc1ccc(OC2CCN(Oc3ccc(OCCNS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.17775075
18932,Cc1cc(OCCN2CCN(c3cc(F)ccc3F)CC2)ccc1ON=O,[*]CCOc1ccc(O[*])c([*])c1,0.68345594
18933,Cc1cc(OCCNS(=O)(=O)c2ccc(F)cc2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.048706904
18934,Cc1cc(OCCOS(C)(=O)=O)ccc1ON1CCC(COc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24863575
18935,Cc1ccc2c(-c3ccc(F)cc3)cn(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)c2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5476411
18936,ClCCCN1CCN(Cc2cccc(Cc3ccc(-c4ccccc4)o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62026674
18937,Clc1cccc(CN2CCN(CCCc3cccc(-c4cccs4)n3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69564724
18938,FC(F)(F)Oc1ccccc1N1CCN(CCN2CCC(c3cc4ccccc4[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7824086
18939,FC(F)(F)c1cccc(CN2CCN(CCCCc3cccs3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7084848
18940,FCCOc1ccccc1N1CCN(CCN2CCC(c3ccon3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84227914
18941,O=C(NCCc1ccccc1)c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40978023
18942,O=[N+]([O-])CCCN1CCN(Cc2cccc(-c3cccs3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.47093448
18943,O=[N+]([O-])c1ccccc1N1CCN(CCN2CCC(c3ccc4ncccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.59435534
18944,Oc1ccc(-c2ccc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)cc2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.743118
18945,Oc1cccc2c1CN1CCc3cc(-c4ccc(F)cc4Cl)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67761153
18946,C=CC1Cc2ccccc2N1CCCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6477748
18947,CC(=O)c1ccc2c(c1)CC(CCCOc1ccc(ONS(C)(=O)=O)c(C)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.20486715
18948,CC(=O)c1ccccc1N1CCN(CCN2CCC(c3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.62574124
18949,CCCCc1cc(O)n(COc2ccc(OCCC)cc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08525654
18950,CCCOc1cc2c(cc1OC)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7359965
18951,CCCOc1ccc(OCN2CCC(c3ccccc3)CC2)c(OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.43506944
18952,CCCOc1ccc(ON2CCN(c3ccc(F)cc3)CC2)c(C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26506737
18953,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCCC(Cc3ccc4ccccc4c3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19559647
18954,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3ccc(CC(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28117594
18955,CCCOc1ccccc1N1CCN(CCCOc2ccc(ONC)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.75750935
18956,CCCc1cc2c(cc1O)C1Cc3cccc(CO)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8140571
18957,CCNCCCOc1ccc(OC)c(N=S(C)(=O)O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13702838
18958,CCOC(=O)c1cccc2c1CN1CCc3cc(Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43997988
18959,CCOc1ccccc1N1CCN(CCN2CCC(C(=O)Nc3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6394811
18960,COC(=O)C1CCc2ccc(CCN(C)c3cc(OCCCOC(C)=O)ccc3OC)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.31412908
18961,COC1CCN(CCN2CCN(c3ccccc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8585877
18962,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3cnc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6498925
18963,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.42537296
18964,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc(N4CCC4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8628848
18965,COCCCN1CCN(Cc2cccc(C3NS(=O)(=O)c4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54696405
18966,COCCCN1CCN(Cc2cccc(CC(=O)NC3CCCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.43552548
18967,COCCOc1ccc(OC)c(N2CCC(Oc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.44757608
18968,COc1cc2c(cc1-c1ccccc1)CCN1Cc3c(cccc3OC(C)=O)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43810096
18969,COc1cc2c(cc1C(=O)c1ccc(C#N)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5510996
18970,COc1cc2c(cc1O)C1Cc3cccc(C(=O)[O-])c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5548769
18971,COc1cc2c(cc1OC)C1Cc3cccc(-c4cc(CO)ccc4[N+](F)(F)F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50811404
18972,COc1ccc(C(=O)NCCN2CCN(Cl)CC2)cc1-c1ccccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.25945666
18973,COc1ccc(C(=O)NCCN2CCN(N)CC2)cc1-c1cccc(C)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.24174458
18974,COc1ccc(C)cc1-c1cc(C(=O)NCCN2CCN(C)CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.15481053
18975,COc1ccc(COc2cccc3c2CN2CCc4cc(Cc5ccccc5)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7179056
18976,COc1ccc(O)cc1C(=O)NC1CCN(CCN2CCN(c3ccccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.86953676
18977,COc1ccc(OCCCF)cc1NS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07123894
18978,COc1ccc(OCCCS(N)(=O)=O)cc1NCCC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.28919923
18979,COc1ccc(OCCN2CCC(c3cccc(C(F)(F)F)c3)CC2)cc1S(=O)(=O)N(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.5966927
18980,COc1ccc(OCCNCc2ccccc2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2909367
18981,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCCC(Cc2ccc(OC3CCCCC3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.16628039
18982,COc1ccc(OCCOS(C)(=O)=O)cc1N1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.33328056
18983,COc1ccc(OCCS(C)(=O)=O)cc1CC1CC(=O)c2ccc(CC3CCCCC3)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.20642266
18984,COc1ccc2cc(C(=O)NCc3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)ccc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6482587
18985,COc1cccc(C2CCN(Cc3cc(OCCC(N)=O)ccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5241757
18986,COc1cccc(Oc2cc3c(cc2OC)C2Cc4cccc(CCc5ccccc5)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8063007
18987,COc1ccccc1C1CCCN(Oc2ccc(OCCN=S(C)(=O)O)cc2C)C1,[*]CCOc1ccc(O[*])c([*])c1,0.20565079
18988,COc1ccccc1N(C)C(=O)NC1CCN(CCN2CCN(c3ccccc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5847951
18989,COc1ccccc1N1CCN(CCN2CCC(c3nc(O)cc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80715275
18990,Cc1cc(OCCC=[SH]O)ccc1ON1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24757311
18991,Cc1cc(OCCCN2CCC(c3ccon3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.71463466
18992,Cc1cc(OCCCc2cccc(S(C)(=O)=O)c2)ccc1ONC1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4356177
18993,Cc1cc(OCCN2CCC(Cc3cc4ccccc4o3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5379101
18994,Cc1cc(OCCNS(C)(=O)=O)ccc1ONC(=O)C1CCN(C(C)C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.08016804
18995,Cc1cccc2c1CN1CCc3cc(O)c([SH](C)(=O)O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5719392
18996,O=C1CC(c2cccc(CN3CCN(CCCCl)CC3)c2)c2ccccc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6154765
18997,O=c1cc2ccccc2c(CCCN2CCN(Cc3cccc(Cl)c3)CC2)o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6358431
18998,Oc1cccc2c1CN1CCc3cc(N=CNOCc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.620206
18999,Oc1ccccc1N1CCN(CCN2CCC(Nc3nccc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70349336
19000,CC(=O)Nc1ccccc1OC1CCN(CCN2CCN(c3ccccc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.36680034
19001,CCC(C)c1cc(OCCF)ccc1OC(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.043373156
19002,CCCOc1ccc(OC(N)=O)c(CCOc2cccc(F)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.039094217
19003,CCCOc1ccc(OC(N)=O)c(NC(=O)COc2ccccc2SC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0072079366
19004,CCCOc1ccc(OCC(C)Oc2ccccc2N2CCN(C)CC2)c(C(=O)OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37696877
19005,CCCOc1ccc(OCF)c(N2CCN(CC(=O)c3ccc(OC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29818025
19006,CCCOc1ccc(ONC)c(N2CCCC(CCc3cccc(N)c3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2920201
19007,CCCOc1ccc(ONS(C)(=O)=O)c(C(C)COc2ccc(C=O)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0645874
19008,CCCOc1ccc(ONS(C)(=O)=O)c(NS(=O)(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05116055
19009,CCCOc1ccc(OOC)c(CCCc2cccc3ccccc23)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16524784
19010,CCCOc1ccc(OOS(C)(=O)=O)c(NC(=O)COc2ccc(CC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0075101242
19011,CCCOc1ccc(OS(C)(=O)=O)c(CCC2NCCc3ccc(OC)cc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35255358
19012,CCCOc1ccc(OSC)c(CCSc2cccc3c2CCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14454456
19013,CCCOc1ccc(OSC)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11078243
19014,CCCOc1ccc(OSC)c(N2CCC(O)(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29971457
19015,CCCc1ccc(-c2cc3c(cc2-c2ccccc2)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7403663
19016,CCONc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.594647
19017,CCOc1ccccc1N1CCN(c2cc(OCCCO)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28046343
19018,CNOc1ccc(OCCN2CCN(Cc3ccc(F)c(F)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.3010192
19019,COC(CCOc1ccc(ON=S(C)(=O)O)c(C)c1)CCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.14971295
19020,COCCOc1ccc(OC)c(CN2CCN(c3ccccc3F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7064586
19021,COOc1ccc(OCCF)cc1CCNC(=O)c1ccc(CCCF)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.029645706
19022,COOc1ccc(OCCF)cc1CNCCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.22666673
19023,COOc1ccc(OCCF)cc1Cc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.15947787
19024,COc1cc2c(cc1O)C1Cc3cccc(C(N)Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7190128
19025,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)OCc4ccc(S(=O)(=O)N(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.31799474
19026,COc1cc2c(cc1OC)C1Cc3cccc(C=NO)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75170445
19027,COc1cc2c(cc1OCc1ccc(Cl)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7548182
19028,COc1ccc(-c2cc(C(=O)NCCN3CCN(OC)CC3)ccc2Cl)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31218177
19029,COc1ccc(OCCC(F)CCc2ccc3c(c2)NC(=O)CC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.24314746
19030,COc1ccc(OCCCC(C)Oc2ccccc2N2CCCCC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2966035
19031,COc1ccc(OCCCCCc2ccccc2)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.116759636
19032,COc1ccc(OCCCS(=O)(=O)c2cc(F)ccc2C(C)=O)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.059146326
19033,COc1ccc(OCCF)cc1N1CCN(S(=O)c2ccccc2C(C)C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28752643
19034,COc1ccc(OCCN2CCC(C(=O)c3ccc(F)cc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4872507
19035,COc1ccc(OCCN2CCC(C)CC2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.49288392
19036,COc1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5847814
19037,COc1ccc(OCCNCCc2ccc3c(c2)CC(=O)CC3)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.22004662
19038,COc1ccc(OCCNCc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.24826972
19039,COc1ccc(OCCNS(C)(=O)=O)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.0816307
19040,COc1ccc(OCCS(C)(=O)=O)cc1C1CCCC(Cc2ccc(OC3CCCCC3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.1569564
19041,COc1ccc(OCCSC)cc1N1CCC(Cc2ccc(OC3CCC(=O)NC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23332787
19042,COc1cccc(CN2CCN(CCCC3c4ccccc4CC3(C)C)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.52619267
19043,COc1ccccc1COc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75765634
19044,CSc1ccc(C2CCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)C2=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.22616905
19045,CSc1cccc(CN2CCN(CCCN3C(=O)c4ccccc4C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67365164
19046,Cc1cc(OCCCCCc2ccc3c(c2)CC(=O)CC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.17291982
19047,Cc1cc(OCCCF)ccc1OCN1CCN(C=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22959903
19048,Cc1cc(OCCCN2CCC(Oc3ccc(F)cc3)CC2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.68569493
19049,Cc1cc(OCCN(C)S(C)(=O)=O)ccc1ON1CCC(Oc2ccc(C(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.26942325
19050,Cc1cc(OCCS(C)(=O)=O)ccc1ONCc1ccc(OCC(F)(F)F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.055029336
19051,Cc1cc(OCCc2nc3ccccc3n2Cc2ccc(F)cc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.101778485
19052,Cc1cccc2c1CN1CCc3cc(C(=O)NCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3301929
19053,Cc1ccccc1N1CCN(CCN2CCC(COc3ccncc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68694377
19054,Cc1ccn(COc2ccc(OCCOS(C)(=O)=O)cc2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07593134
19055,Fc1ccccc1N1CCN(CCN2CCC(c3ccncc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7247139
19056,NOc1cccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6571916
19057,O=C1c2ccccc2C(=O)N1c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69329554
19058,O=c1ccn(Cc2cccc(CN3CCN(CCCCl)CC3)c2)s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6400344
19059,C=CCOc1cccn1COc1ccc(OCCC)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7039915
19060,CC(=O)CN1CCN(Oc2ccc(OCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20113507
19061,CC(C)OC1CCN(CCN2CCN(c3ccccc3-n3cc(-c4ccccc4)nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6830293
19062,CC(C)c1ccccc1N1CCN(CCN2CCC(n3c(O)nc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68314314
19063,CC1(C(O)c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)CCCC1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65275
19064,CC1=Nc2ccccc2OC1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5591535
19065,CC1CCN(CCN2CCN(c3ccccc3Oc3ccc4c(c3)NC(=O)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7599395
19066,CCCOc1ccc(OC=O)c(NC(=O)c2ccc3ccccc3c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.034643672
19067,CCCOc1ccc(OCN2CC=C(C(=O)O)CC2)c(C(C)Cc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30221054
19068,CCCOc1ccc(OOC)c(N2CCCC(CCc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34818965
19069,CCCOc1ccc(OS(C)(=O)=O)c(N2CCc3cc(CC4CCC4)ccc3CC2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33386284
19070,CCCOc1ccc(OS(C)(=O)=O)c(Oc2ccccc2CC2CCCNC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20142922
19071,CCCOc1ccc(OSC)c(N2CCN(CCc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7810248
19072,CCOc1ccc(COc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7069943
19073,CCOc1ccccc1N1CCN(COc2ccc(OCCC(N)=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.49617338
19074,CCOc1ccccc1N1CCN(COc2ccc(OCCF)cc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.75796527
19075,CN(C)c1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1F,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7156468
19076,CNC(=O)c1cccc(Cc2cc3c(cc2OC)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5067957
19077,COC1CCN(CCN2CCN(c3ccccc3-c3cccc4nc(O)ccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83007264
19078,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3cnc4ccccn34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.59073913
19079,COCCCN1CCN(Cc2cccc(COc3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6591101
19080,COc1cc2c(cc1O)C1Cc3cccc(CNc4cccc(Cl)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57778805
19081,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69652665
19082,COc1ccc(Br)cc1C(=O)NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73670965
19083,COc1ccc(C(=O)Nc2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)cc1OC,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.462036
19084,COc1ccc(OCCCN2CCC(c3cccc(C(F)(F)F)c3)CC2)cc1S(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.6152694
19085,COc1ccc(OCCF)cc1CNCc1ccccc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.106900126
19086,COc1ccc(OCCN=S(C)(=O)O)cc1NCc1ccc2c(c1)CCC(=O)N2,[*]CCOc1ccc(O[*])c([*])c1,0.11355157
19087,COc1ccc(OCCNCc2ccccc2)cc1CNS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2935226
19088,COc1ccc(OCCS(C)(=O)=O)cc1C1CCCC(Cc2ccc(OC3CCCNC3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.20513563
19089,COc1ccc(OCCS(C)(=O)=O)cc1NCc1ccc2c(c1)CCC(=O)N2,[*]CCOc1ccc(O[*])c([*])c1,0.13164046
19090,COc1cccc(CN2CCN(CCCc3cccc4cccc(=O)c-4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6131624
19091,COc1cccc(CN2CCN(CCCc3coc4ccccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.73472494
19092,COc1cccc(CONCc2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5570793
19093,COc1ccccc1CC1CCCN(CCOc2ccc(OC)c(SC)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.56574935
19094,COc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccc(N)cn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8784077
19095,COc1ccccc1Oc1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7274901
19096,COc1ccn(C2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74121636
19097,Cc1cc(OCCF)ccc1ON1CCN(Cc2ccc(C(=O)N3CCCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.14194538
19098,Cc1cc(OCCN2CCC(NC(=O)c3ccc(F)c(F)c3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.51031524
19099,Cc1cc(OCCN2CCC(c3ccc(F)cc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5790357
19100,Cc1cc(OCCN2CCCC(Cc3ccc(F)cc3)C2)ccc1ONOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.38804272
19101,Cc1cc(OCCN2CCN(Cc3ccccc3)CC2)ccc1OS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.47259432
19102,Cc1cc(OCCOS(C)(=O)=O)ccc1ONC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.31192535
19103,Cc1cc2c(cc1-c1ccc(N(C)C)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70430106
19104,Cc1cccc2c1CN1CCc3cc(Cc4cccc(C#N)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5454177
19105,Cc1ccccc1N1CCN(CCN2CCC(c3cn(Cc4ccccc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6065153
19106,Cn1c(-c2ccc(F)cc2)nnc1C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74550045
19107,Fc1ccc(-c2cn(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)cn2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77786297
19108,O=C(NCc1cccc(CN2CCN(CCCOCCF)CC2)c1)c1ccc(-c2ccccc2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48880446
19109,O=C1CCc2cc(Oc3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)ccc2N1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7372132
19110,Oc1cc2c(cc1OC(F)(F)F)CCN1Cc3c(F)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8400385
19111,c1ccc(COCCCN2CCN(Cc3cccc(Cc4cc5ccccc5o4)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72541255
19112,CC(C)(C)OC(=O)Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.45402503
19113,CCCOc1ccc(OC)c(NC(=O)c2ccc(NC=O)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.016971443
19114,CCCOc1ccc(ON(C)S(C)(=O)=O)c(N2CCC(c3ccc(SC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26375574
19115,CCCOc1ccc(ON2CCN(c3ccccc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34596765
19116,CCCOc1ccc(OOC)c(N2CCC(Oc3cccc(NC(C)=O)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16415285
19117,CCCOc1ccc(OSC)c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27362922
19118,CCNC(=O)Nc1cc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)ccc1Cl,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43284863
19119,CCON=Cc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61651194
19120,CCOc1cc2c(cc1[N+](=O)c1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55489504
19121,CN(C)c1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75352573
19122,COC1CCN(CCN2CCN(c3ccccc3-c3cc(Cl)ccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80018723
19123,COC1CCN(CCN2CCN(c3ccccc3-n3cc(F)c4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69169664
19124,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3ccc4c(c3)CCC(=O)N4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6743018
19125,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83428043
19126,COCCCN1CCN(Cc2cccc(Cc3ccc4nc(S)[nH]c4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58942044
19127,CON1CCN(CCNC(=O)c2ccc(O)c(-c3ccccc3CO)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.38781962
19128,COc1cc2c(cc1CN)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57979536
19129,COc1cc2c(cc1O)C1Cc3cccc(C(=O)NCc4cccc([N+](=O)[O-])c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38359904
19130,COc1cc2c(cc1O)C1Cc3cccc(C=[N+](O)c4ccc(CO)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7144734
19131,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(COC(C)C)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6895415
19132,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)OCc4ccc(OCc5ccccc5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41790247
19133,COc1cc2c(cc1OC)C1Cc3cccc(OC(=O)Nc4cccc5[nH]c(C(=O)O)cc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.2632823
19134,COc1ccc(-c2cc3c(cc2OC)C2Cc4cccc(-c5ccccc5)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6311665
19135,COc1ccc(OCCCN2CCCC(c3ccccc3OC3CC3)C2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.6898468
19136,COc1ccc(OCCF)cc1NS(=O)(=O)c1ccc(C(N)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.027553184
19137,COc1ccc(OCCN2CCC(c3coc4ccc(F)cc34)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.70702326
19138,COc1ccc(OCCNS(C)(=O)=O)cc1C1CCCC(CCC2=CC3=C(CCC(=O)N3)[SH]=N2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.15385312
19139,COc1ccc(OCCS(C)=O)cc1N1CCC(C(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.26434353
19140,COc1cccc(CN2CCN(CCCC(=O)N3CCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48821265
19141,COc1cccc(CN2CCN(CCCCn3c(=O)n(-c4ccccc4)c(=O)c4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5556817
19142,COc1cccc(CN2CCN(CCCS(=O)(=O)C3CCCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70993316
19143,COc1cccc2c1CN1CCc3cc(COCc4cccc(C#N)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60955507
19144,COc1ccccc1N1CCN(CCOc2ccc(OCCc3ccc(F)cc3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.77381074
19145,CSOc1ccc(OCCN2CCN(CCc3ccc4c(c3)NC(=O)CC4)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5070017
19146,CSc1ccc(CN2CCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.34772524
19147,Cc1cc(OCCC(N)=O)ccc1ONCC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.15954782
19148,Cc1cc(OCCCS(C)(=O)=O)ccc1ON1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28324783
19149,Cc1cc(OCCN2CCC(=O)c3ccccc3C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.41913387
19150,Cc1cc(OCCN2CCC(Cc3ccccc3)CC2)ccc1OCN,[*]CCOc1ccc(O[*])c([*])c1,0.58293736
19151,Cc1cc(OCCN=S(C)(=O)O)ccc1OCN1CCC(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.33703095
19152,Cc1cc(OCCNCCCc2ccc3c(c2)NC(=O)CC3)ccc1OS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.19483861
19153,Cc1cc(OCCNCc2ccccc2)ccc1OF,[*]CCOc1ccc(O[*])c([*])c1,0.32740733
19154,Cc1cc(OCCNS(C)(=O)=O)ccc1OC1CNCC(Cc2ccc3c(c2)NC(=O)CCC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.22391559
19155,Cc1cc(OCCNS(C)(=O)=O)ccc1OOC1CCN(Cc2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3938327
19156,Cc1cccc(N2CCN(CCNC(=O)c3ccc(C)c(C)c3)CC2)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.6371725
19157,Cc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccccc4)nc(N)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.60356665
19158,ClC1CCN(CCN2CCN(c3ccccc3-c3nc4ccccc4o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7387959
19159,FC(F)(F)Oc1ccccc1N1CCN(CCN2CCC(Nc3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83201516
19160,O=Cc1cc2c(cc1Br)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68135035
19161,O=c1ccc2ccc(Cc3cccc(CN4CCN(CCCCl)CC4)c3)cc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.659573
19162,Oc1cc2c(cc1O)C1Cc3cccc(CNCc4ccc(F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.664339
19163,Oc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)o1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63404924
19164,CC1(C)c2ccccc2C(=O)N1C(=O)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46428463
19165,CC1CCN(CCN2CCN(c3ccccc3CNc3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7083394
19166,CC1CCc2ccccc2N1C(=O)CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7158135
19167,CCCOc1ccc(OF)c(CNc2ccccc2OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.097131185
19168,CCCOc1ccc(ONC)c(N2CCN(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.70040685
19169,CCCOc1ccc(OOC)c(Cc2cccc(NC(C)=O)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.033364173
19170,CCOc1cccc2c1CN1CCc3cc(OC)c(N(C)C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72950727
19171,CCOc1ccccc1N1CCN(Oc2ccc(OCCN(C)C)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.324754
19172,CN=CCCOc1ccc(OC)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7361606
19173,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccccn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7661477
19174,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9108692
19175,COCCCN1CCN(Cc2cccc(CNC(=O)C=Cc3cccs3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5057498
19176,COCCCN1CCN(Cc2cccc(COC(=O)NC3CCCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46121174
19177,COCCc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71065474
19178,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccccc1C#Cc1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35942963
19179,COc1cc2c(cc1COc1cccc(C#N)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7246161
19180,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccccc4C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7338898
19181,COc1cc2c(cc1O)CCN1Cc3c(Cc4cc5ccc(COc6ccccc6)cc5[nH]4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69611555
19182,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc(OC(F)(F)F)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72972083
19183,COc1cc2c(cc1O)CCN1Cc3c(cccc3OC(C)OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74428463
19184,COc1ccc(C(=O)NCCN2CCN(OS(C)(=O)=O)CC2)cc1-c1ccccc1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32413787
19185,COc1ccc(OCCCC(C)C)cc1CN1CCCC(C(=O)c2ccc(SC)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.17402096
19186,COc1ccc(OCCCCCc2ccc3c(c2)NC(=O)CC3)cc1S(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.22734971
19187,COc1ccc(OCCCCNC(=O)c2ccc(F)cc2)cc1NS(=O)(=O)c1cc(SC)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.037676785
19188,COc1ccc(OCCCN=O)cc1CN1CCN(c2ccccc2OCCF)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.74526
19189,COc1ccc(OCCN2CCCC(CCc3ccc(F)cc3)C2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4208713
19190,COc1ccc(OCCNCc2ccccc2)cc1OS(=O)(=O)C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.15226847
19191,COc1ccc(OCCS(C)(=O)=O)cc1Cn1ccc(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07326383
19192,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(CCc2ccc3c(c2)NC(=O)CC3=O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.27500767
19193,COc1ccc(OCCS(N)(=O)=O)cc1NC(=O)COc1ccc2c(c1)NCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.0634531
19194,COc1ccc2cc(CC3CCN(CCOc4ccc(ON=S(C)(=O)O)c(C)c4)CC3)ccc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.5001998
19195,COc1cccc(CN2CCN(CCCn3cc4ccccc4c3O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.632406
19196,COc1cccc2c1CN1CCc3cc(CCNC(C)=O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49500433
19197,COc1ccccc1N1CCN(CCN2CCC(COc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9104525
19198,COc1ccccc1N1CCN(CCN2CCC(Nc3cccnc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65173644
19199,COc1ccccc1N1CCN(c2cc(OCCCN=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22977945
19200,Cc1cc(OCCCl)ccc1OC(=O)COc1ccc2c(c1)CC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.12637928
19201,Cc1cc(OCCN2CCC(Oc3ccc4c(c3)NC(=O)CCC4)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.57977825
19202,Cc1cc(OCCN2CCC(c3ccc(OCCF)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.66231537
19203,Cc1cc(OCCN2CCCC(c3ccc(OCC(F)(F)F)cc3)C2)ccc1OS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.43467122
19204,Cc1cc(OCCS(=O)(=O)N(C)C)ccc1ON1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.25084555
19205,Cc1cc(OCCS(N)(=O)=O)ccc1ON1CCC(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27826753
19206,Cc1ccc(C(=O)NCCN2CCN(O)CC2)cc1-c1ccc([N+](=O)[O-])cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.14775294
19207,Cc1ccc(OC2CCN(Oc3ccc(OCCS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.19992319
19208,ClC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccccc4)s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7483088
19209,ClCCCN1CCN(Cc2cccc(-c3cccc4ccoc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67581326
19210,Clc1cccc(CN2CCN(CCCCC3=CC=C4C=CC=C(C=C4)O3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6669177
19211,FC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4cccnc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70371526
19212,Fc1ccnc(C2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8130363
19213,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)OC1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5187983
19214,O=C1Nc2ccccc2C(CCCN2CCN(Cc3cccc(Cl)c3)CC2)O1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6445638
19215,Oc1cccc2c1CN1CCc3cc(OCC4CCCC4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63184714
19216,C#CCN(c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)C1CCc2ccc(O)cc2C1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7562496
19217,CC(=O)NOc1ccc(OCCN2CCCC(Cc3ccc(F)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.257929
19218,CC(=O)c1cccc(OC2CCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4695998
19219,CCCNOc1ccc(OCCNC(=O)Cc2ccc3c(c2)OC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.060143393
19220,CCCOc1ccc(OC(N)=O)c(CN2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.42261988
19221,CCCOc1ccc(OCCCc2ccccc2)c(C(=O)Nc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04346912
19222,CCCOc1ccc(OCCN2CCN(c3ccccc3OC)CC2)c(C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8111005
19223,CCCOc1ccc(OCl)c(NCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.123084575
19224,CCCOc1ccc(ONS(C)(=O)=O)c(NCCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.099704124
19225,CCCOc1ccc(OS(C)(=O)=O)c(CN2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5484194
19226,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Oc3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32070446
19227,CCCOc1ccc(OS(N)(=O)=O)c(C(F)COc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.103705294
19228,CCCOc1ccc(OSC)c(NC(=O)COc2cccc(C=O)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.009181653
19229,CCN1CC(NCCOc2ccc(ON)c(C)c2)CCc2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.2905959
19230,CCOC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6855616
19231,COC1CCN(CCN2CCN(c3ccccc3-n3c(O)cnc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7329391
19232,COC1CCN(CCN2CCN(c3ccccc3COCC#Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7772963
19233,COCCCN1CCN(Cc2cccc(CCN3C(=O)c4ccccc4C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59764355
19234,COc1c(C(=O)NCCCN2CCN(Cc3cccc(Cl)c3)CC2)ccc2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.33646277
19235,COc1cc2c(cc1-c1ccco1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7346667
19236,COc1cc2c(cc1-n1cccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6629055
19237,COc1cc2c(cc1COCc1ccccc1)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7796614
19238,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)C4CCCCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44899213
19239,COc1cc2c(cc1OC)C1Cc3cccc(NC(=O)OCc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.27462497
19240,COc1ccc(-c2ccccc2N2CCN(CCN3CCC(C)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7613896
19241,COc1ccc(CNCCOc2ccc(OS(C)(=O)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.16544624
19242,COc1ccc(F)cc1C(=O)NCCOc1ccc(ON(C)C)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.046258543
19243,COc1ccc(OCCC(=O)CCc2ccc3c(c2)NC(=O)CC3)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.18644184
19244,COc1ccc(OCCN2CCCC(Oc3ccc(C4CCCCC4)cc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.41972357
19245,COc1ccc(OCCNC(=O)c2cccs2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.04950842
19246,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Cc2ccc(F)nc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2899132
19247,COc1cccc(CN2CCN(CCCCOc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7460728
19248,COc1cccc(CN2CCN(CCCN3CC(C)(C)c4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6542511
19249,COc1cccc(Cc2cc3c(cc2C)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56949246
19250,COc1cccc2c1CN1CCc3cc(-c4ccc(C)s4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5781055
19251,COc1cccc2c1CN1CCc3cc(O)c(-c4ccccc4C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63552237
19252,COc1cccc2c1CN1CCc3cc(OCc4ccccc4)c(N)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74392515
19253,COc1ccccc1COc1cc2c(cc1OC)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71008164
19254,COc1ccccc1N1CCN(CCN2CCC(CNc3ccc(-c4ccccn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8256859
19255,Cc1cc(OCCF)ccc1ON1CCC(Cc2ccc3c(c2)NC(=O)CS3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28690964
19256,Cc1cc(OCCN2CCCC(COc3ccc(F)cc3)C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.3832152
19257,Cc1cc(OCCN=S(C)(=O)O)ccc1ONC(=O)Cc1ccc(C2CCCN(C)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.09056844
19258,Cc1cc(OCCNCCc2ccc(F)cc2)ccc1OS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.107961774
19259,Cc1cc(OCCNCCc2ccc3c(c2)NC(=O)CC3)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.19345076
19260,Cc1ccc(C)c(Cc2cccc(CN3CCN(CCCCl)CC3)c2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.570492
19261,ClCCCN1CCN(Cc2cccc(Cc3cccc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63468117
19262,N#CC(=O)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42844892
19263,O=C(NCc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1cc2ccccc2o1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73219913
19264,O=C(c1cccc(CN2CCN(CCCOc3ccccc3)CC2)c1)c1cc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51373297
19265,OCc1ccccc1N1CCN(CCN2CCC(c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79353434
19266,Oc1cc2c(cc1CNc1c(Cl)cccc1Cl)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6020841
19267,Oc1cc2c(cc1CNc1cccc3ccccc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44423798
19268,Oc1cc2c(cc1CNc1nccc3ccccc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53391415
19269,Oc1cc2c(cc1O)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73468226
19270,Oc1cc2cc(Oc3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)ccc2cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.809937
19271,Oc1cccc2c1CN1CCc3cc(OC=Cc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6855661
19272,Oc1nccn1C1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80456626
19273,CC(C)c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78785735
19274,CCC(=O)c1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6000471
19275,CCCOc1ccc(ON(C)S(C)(=O)=O)c(CN2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.51742375
19276,CCCOc1ccc(ON2CCC(Oc3ccccc3C)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37453452
19277,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCCC(c3ccc(OCC(F)(F)F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23831132
19278,CCCOc1ccc(OS(C)(=O)=O)c(CCCC2COC3=CC=C(C4CCNCC4)CCCC2=C3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2656264
19279,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCN(c3cc(C(F)(F)F)ccc3F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21380413
19280,CCCOc1ccc(O[SH](C)(=O)O)c(CCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.087459974
19281,CCOc1ccccc1N1CCN(Cc2cc(OCCNC=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6886762
19282,CNC(=O)CCOc1ccc(OC)c(N2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18391468
19283,COC1CCN(CCN2CCN(c3ccccc3-n3c(O)cc4cc(F)ccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7713253
19284,COCCCN1CCN(Cc2cccc(N=C3COc4ccccc4N3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53697634
19285,COCCOc1ccc(OC)c(N2CCN(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.080553554
19286,COCCOc1ccc(ON2CCN(Cc3ccccc3OC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5014268
19287,COOc1ccc(OCCN2CCCC(c3ccc(Cl)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.44569173
19288,COc1cc2c(cc1C(=O)[N+](=O)c1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.541621
19289,COc1cc2c(cc1C(O)c1cccc3ccccc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66623247
19290,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(Oc5ccccc5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6787531
19291,COc1ccc(C(=O)NCCN2CCN([N+](=O)[O-])CC2)cc1-c1ccc([N+](=O)[O-])cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.1505287
19292,COc1ccc(NCc2cc3c(cc2OC)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5262642
19293,COc1ccc(OCCC=N)cc1CCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.12833753
19294,COc1ccc(OCCCC2CCc3ccc(C(C)=O)cc3C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2518533
19295,COc1ccc(OCCCCCc2ccc3c(c2)NC(=O)CC3)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.26357952
19296,COc1ccc(OCCCCCc2ccccc2)cc1S(=O)(=O)N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.0879089
19297,COc1ccc(OCCF)cc1CN1CCC(O)(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7576846
19298,COc1ccc(OCCF)cc1CN1CCc2cc(OC)c(OC)cc2C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.26785594
19299,COc1ccc(OCCF)cc1CNC(=O)c1cccc(N2CCCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.045206852
19300,COc1ccc(OCCF)cc1S(=O)(=O)C(C)N,[*]CCOc1ccc(O[*])c([*])c1,0.08826466
19301,COc1ccc(OCCN2CCC(NS(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1C(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5107743
19302,COc1ccc(OCCN2CCCC(Cc3ccc4c(c3)NC(=O)CCC4)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.48239183
19303,COc1ccc(OCCN2CCN(Cc3cccc(OCC(F)(F)F)c3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.52071065
19304,COc1ccc(OCCNC(=O)c2ccccc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.026114827
19305,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(CCc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.35042685
19306,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(CCc2nc3ccccc3s2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19555928
19307,COc1ccc(OCCSC)cc1N1CCCC(Cc2ccc(OC3CCC(=O)NC3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2171487
19308,COc1cccc(CN2CCN(CCCc3ccc4cc(=O)occ4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58234817
19309,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(N)CC2)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27298152
19310,COc1ccccc1-c1cccc(-c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8323803
19311,COc1ccccc1C(=O)C1CCN(CCN2CCN(c3ccccc3C(C)C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7076287
19312,COc1ccccc1N1CCN(CCN2CCC(c3ccc(OC)c4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78672266
19313,COc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccc4)c(C)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.808995
19314,CSc1ccc(CN2CCC(c3cc(OCCF)ccc3ONS(C)(=O)=O)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.52673537
19315,Cc1cc(OCCNCCc2ccc(F)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.13219689
19316,Cc1cc(OCCSCCCc2ccc3c(c2)CC(=O)CC3)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.19619203
19317,Cc1cc(OCCSCCCc2ccc3c(c2)NC(=O)CC3)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.16415173
19318,Cc1ccc(C(=O)NC2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)s1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7457253
19319,Cc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1cccc(C(=O)c2ccccc2)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26611847
19320,Cc1ccccc1N1CCN(CCN2CCC(c3ccc(O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6757405
19321,Clc1ccccc1N1CCN(CCN2CCC(c3ncccc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8484575
19322,NCc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.720545
19323,O=S(=O)(NCC1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1)c1cccc(F)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79645866
19324,Oc1c2ccccc2cn1Cc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6799482
19325,Oc1cccc2c1CN1CCc3cc(-c4ccco4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6706361
19326,CC#Cc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6911833
19327,CC(=O)NCc1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4525568
19328,CC1Cc2ccccc2N(c2cccc(CN3CCN(CCCF)CC3)c2)C1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6963656
19329,CCC(=O)c1cc2c(cc1-c1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44513416
19330,CCCOc1ccc(OC2CCN(Cc3ccc(F)cc3)CC2)c(NS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.44203743
19331,CCCOc1ccc(ON2CCC(c3ccccc3OC)CC2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36766702
19332,CCCOc1ccc(ON2CCN(c3ccccc3OC)CC2)c(OC(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39879227
19333,CCCOc1ccc(ON2CCN(c3ccccc3OCC)CC2)c(Cl)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3851805
19334,CCCOc1ccc(OOC)c(N2CCN(Cc3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.84176886
19335,CCCOc1ccc(OS(=O)(=O)O)c(N2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37612066
19336,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)COc2ccc3c(c2)CCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0579262
19337,CCCOc1ccc(OS(C)(=O)=O)c(SCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.117941126
19338,CCOc1ccccc1N1CCN(CCOc2ccc(OC)c(Cl)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8584882
19339,CNC(=O)Oc1ccc(OCCCN2CCc3cc(OC)c(OC)cc3C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.3950404
19340,COC(=O)C1CCN(Cc2cc(OCCNC(=O)Cc3ccccc3)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18101443
19341,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(F)nc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71663165
19342,COCCOc1ccc(OC)c(NC(=O)Cc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05580484
19343,COOc1ccc(OCCN2CCC(S(=O)(=O)c3ccccc3F)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6197946
19344,COc1cc2c(cc1-c1ccncc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69999576
19345,COc1cc2c(cc1C(=O)Nc1ccc(C#N)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.33183947
19346,COc1cc2c(cc1OC(C)=O)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5131625
19347,COc1cc2c(cc1OCc1ccc([N+](=O)[O-])cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4713106
19348,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1C(=O)c1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.36347884
19349,COc1ccc(C(=O)NCCN2CCN(c3cccc(OC)c3Cl)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.82769734
19350,COc1ccc(CCCN2CCN(Cc3cccc(Cl)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62259585
19351,COc1ccc(COCc2cc3c(cc2OC)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8212503
19352,COc1ccc(OCCC=CC2C(=O)CCc3ccccc32)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.200645
19353,COc1ccc(OCCC=S)cc1CCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.15735407
19354,COc1ccc(OCCCS(N)(=O)=O)cc1CCOc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.2677652
19355,COc1ccc(OCCN2CCC(Oc3ccc(F)cc3)CC2)cc1C(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.567651
19356,COc1ccc(OCCNC(=O)Cc2cccc(S(C)(=O)=O)c2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.030592822
19357,COc1ccc(OCCNCCc2cc3ccccc3s2)cc1S(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.1633209
19358,COc1cccc(CN2CCN(CCCC3C=C(c4ccccc4)CC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58384144
19359,COc1cccc(CN2CCN(CCCNC(=O)c3cc4ccccc4cc3OC)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.37795624
19360,COc1cccc2c1CN1CCc3cc(O)c(OS(C)(=O)=O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72161514
19361,COc1ccccc1CN1CCN(Oc2ccc(OCCN=S(C)(=O)O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3216731
19362,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccn4ccc(OC)c4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8656153
19363,Cc1cc(OCCN2CCC(Cc3ccc(F)cc3)CC2)ccc1OO[SH](C)C,[*]CCOc1ccc(O[*])c([*])c1,0.5751324
19364,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)OCC(C)C3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.14929469
19365,Cc1cc(OCCNC2CCC(O)(c3ccc(F)cc3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.15208176
19366,Cc1cc(OCCO)ccc1OC=Cc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.07495497
19367,Cc1cc(OCCc2ccc(F)cc2)ccc1ONC=O,[*]CCOc1ccc(O[*])c([*])c1,0.0839515
19368,Cc1cn(Cc2cccc(CN3CCN(CCCCl)CC3)c2)c(=O)sc1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4669149
19369,ClCCCN1CCN(Cc2cccc(-n3cccc4cccc3-4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68756044
19370,Clc1cccc(CN2CCN(CCCc3ccc4c(c3)Cc3ccccc3-4)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7528878
19371,N#Cc1ccc(S(=O)(=O)C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6980857
19372,O=C(CCCCN1CCN(Cc2cccc(Cl)c2)CC1)c1ccccn1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6735751
19373,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)c1cccs1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6807364
19374,O=C(NCCCCN1CCN(Cc2cccc(-c3cccs3)c2)CC1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7268156
19375,O=C1C=C(CCCN2CCN(Cc3cccc(Cl)c3)CC2)CO1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61684346
19376,O=c1ccc2ccccc2n1-c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6719407
19377,OC1=NC2(Oc3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)C=CC=CC2=C1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78329474
19378,Oc1cc(-c2c[nH]c3ccccc23)c(O)n1C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80979943
19379,Oc1ccc2nc(C3CCN(CCN4CCN(c5ccccc5F)CC4)CC3)ccc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6047543
19380,C=S(O)(O)=Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6232053
19381,CC(C)Oc1ccccc1N1CCN(CCN2CCC(Oc3ccc4c(c3)NC(=O)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7938736
19382,CC(C)c1ccccc1N1CCN(CCN2CCC(c3ncc[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74056107
19383,CCCOc1ccc(OCC(C)Oc2ccccc2N2CCNCC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40851647
19384,CCCOc1ccc(OCN2CCN(C(=O)OC)CC2)c(-c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11899855
19385,CCCOc1ccc(OCNS(C)(=O)=O)c(Cc2ccc(OCC(F)(F)F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.065428
19386,CCCOc1ccc(ON=S(C)(=O)O)c(NCCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.094162636
19387,CCCOc1ccc(ONCCC2CCc3ccccc3C2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.49955055
19388,CCCOc1ccc(ONCCc2ccc(F)c(F)c2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09280886
19389,CCCOc1ccc(OS(C)(=O)=O)c(C=Cc2ccccc2C2CCNCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26571348
19390,CCCOc1ccc(OS(C)(=O)=O)c(NC2CCc3ccc(OCC(F)(F)F)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.48965073
19391,CCCOc1ccc(OSC)c(C=NC2Nc3ccccc3CC2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30061793
19392,CCOc1cccc2c1CN1CCc3cc(OC)c(OCc4ccc(C)cc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5939683
19393,CN1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(-c3ccc([N+](=O)[O-])cc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.17673455
19394,CNc1ccc(Cc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5122799
19395,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(C#N)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83234185
19396,COC1CCN(CCN2CCN(c3ccccc3COc3ccc(Br)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7055425
19397,COC1CCN(CCN2CCN(c3ccccc3NS(=O)(=O)c3cccc4ccc(O)nc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.54563934
19398,COCCCN1CCN(Cc2cccc(Cn3cccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6062355
19399,CON1CCN(CCNC(=O)c2ccc(C)c(-c3cc(C)cs3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.22521172
19400,COOc1ccc(OCCCN2CCN(c3ccc(F)c(F)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.72443396
19401,COc1cc2c(cc1O)C1Cc3cccc(NC(C)Oc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49033657
19402,COc1cc2c(cc1OC)CC(CNCCOc1ccc(ONS(C)(=O)=O)c(C)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.23696929
19403,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1cccc(S(C)(=O)=O)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30198118
19404,COc1ccc(OCCF)cc1CN1CCC(Cc2cccc(S(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3896921
19405,COc1ccc(OCCF)cc1CN1CCN(C(C)C=Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.47107387
19406,COc1ccc(OCCN2CCC(OCCc3ccc(F)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6556411
19407,COc1ccc(OCCN2CCC(Oc3ccc(C(C)=O)cc3)CC2)cc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.51027644
19408,COc1ccc(OCCN2CCC(Oc3ccc(F)cc3)CC2)cc1NS(=O)(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.49703726
19409,COc1ccc(OCCN2CCC(Oc3cccc(C(C)=O)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4559122
19410,COc1ccc(OCCN2CCC(c3cc(C)no3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.5983794
19411,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1CN1CCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3527397
19412,COc1ccc(OCCNC=O)cc1CCC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.30357644
19413,COc1ccc(OCC[SH](C)(=O)O)cc1-c1ccc(OCC(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.05063797
19414,COc1ccccc1-c1cc(C(=O)NCCN2CCN(O)CC2)ccc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31289375
19415,COc1ccccc1N1CCN(COc2ccc(OCCC(C)C)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.70669556
19416,COc1ccccc1NC(=O)c1cc(OCCCNC(=O)Cc2cccs2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.006078306
19417,Cc1cc(OCCC(O)CCc2ccc3c(c2)NC(=O)CCC3)ccc1ON(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10839284
19418,Cc1cc(OCCF)ccc1OCNCC1CCc2ccc(S(=O)(=O)O)cc2CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21104477
19419,Cc1cc(OCCF)ccc1ON1CCC(CCc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.34509116
19420,Cc1cc(OCCF)ccc1ON1CCC(Cc2ccc(F)cc2)CC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.1807607
19421,Cc1cc(OCCN2CCC(Cc3ccccc3O)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.49656364
19422,Cc1cc(OCCN2CCC(c3ccccc3)CC2)ccc1OSO,[*]CCOc1ccc(O[*])c([*])c1,0.61206496
19423,Cc1cc(OCCN2CCC(c3ccccc3OC3CCCCC3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.63210887
19424,Cc1cc(OCCNC(=O)c2ccc(F)cc2)ccc1ON1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.15289919
19425,Cc1cc(OCCNS(=O)(=O)c2ccc(F)cc2)ccc1ON1CCC(O[SH]=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20412566
19426,FCCCN1CCN(Cc2cccc(-c3csc(-c4ccccc4)n3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6719988
19427,O=C(CCCCCN1CCN(Cc2cccc(Cl)c2)CC1)NC1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4746424
19428,O=C(NCCCCN1CCN(Cc2cccc(Cl)c2)CC1)c1cccc2c1-c1ccccc1C2=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61213267
19429,O=C(NCCN1CCN([N+](=O)[O-])CC1)c1ccc(Cl)c(-c2ccccc2)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3358073
19430,O=C1c2ccccc2N(c2cccc(CN3CCN(CCCF)CC3)c2)S1(=O)=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6145638
19431,OC(c1cccnc1)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.62659365
19432,OCc1cc2c(cc1O)C1Cc3cccc(Oc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72036016
19433,Oc1cc2c(cc1-c1ccc(F)cc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7240562
19434,C#CC1CCN(CCN2CCN(c3ccccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8041091
19435,CC1CCN(CCN2CCN(c3ccccc3-c3cc(O)nc4ccc(O)cc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6704456
19436,CCCCc1ccc(CCOc2ccc(OC)c(NS(C)(=O)=O)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06406471
19437,CCCN1C(=O)CCc2cccc(C(=O)NCCCOc3ccc(OC)c(OC)c3)c21,[*]CCOc1ccc(O[*])c([*])c1,0.17408822
19438,CCCN1CCN(c2ccccc2C)CC1Oc1ccc(OCCOC)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.40218255
19439,CCCOc1ccc(OC)c(N2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35283303
19440,CCCOc1ccc(OCCCF)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.82221365
19441,CCCOc1ccc(ON)c(CN2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7550559
19442,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34256065
19443,CCCOc1ccc(OS(N)(=O)=O)c(NCC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.035706878
19444,CCCOc1ccc(OSC)c(C(F)COc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10459581
19445,CCCOc1ccc(OSC)c(NC(=O)NCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.026026707
19446,CCOc1ccccc1N1CCN(c2cc(OCCSC)ccc2OOC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.35561097
19447,CCc1ccc(OCC(=O)Nc2cc(OCCS(C)(=O)=O)ccc2OC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.009029059
19448,CNc1ccc(OC)c(C(=O)NCOc2ccc(OCCOC)cc2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.024464257
19449,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3nccc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.712115
19450,COC1CCN(CCN2CCN(c3ccccc3Cn3cc(Cl)ccc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74499184
19451,COCCCN1CCN(Cc2cccc(-c3ccc4c(c3)CCNC4=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6440863
19452,COCCCN1CCN(Cc2cccc(N3Cc4ccccc4NC3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64727944
19453,COCCOc1ccc(ON2CCN(c3ccccc3F)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28772423
19454,COCc1cc2c(cc1OC)CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6421239
19455,COOc1ccc(OCCN2CCN(CC(=O)c3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.29658774
19456,COc1cc2c(cc1NC(=O)OCc1ccc(CO)cc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3529712
19457,COc1cc2c(cc1O)C1Cc3cccc(C=NOCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7734556
19458,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccc(C(C)N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6457751
19459,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3c(C)cccc3C)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63771486
19460,COc1cc2c(cc1OC)C1Cc3cccc(-c4cccc(OCc5cccc6ccccc56)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46896136
19461,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(CN(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7214936
19462,COc1ccc(Br)cc1-c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69034094
19463,COc1ccc(CC(=O)NCCOc2ccc(ON3CCN(C)CC3)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.08622942
19464,COc1ccc(COc2cc3c(cc2OC)C2Cc4cccc(CCO)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7691238
19465,COc1ccc(OCCCCNC(=O)c2ccc(SC)cc2)cc1-c1ccc(SC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.045467768
19466,COc1ccc(OCCCCOc2ccccc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.116348684
19467,COc1ccc(OCCCS(=O)(=O)c2ccc(F)c(F)c2)cc1CC1CCCN1,[*]CCOc1ccc(O[*])c([*])c1,0.15998697
19468,COc1ccc(OCCF)cc1[SH](C)(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06972684
19469,COc1ccc(OCCNS(=O)(=O)c2cccc(C(C)C)c2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.0905696
19470,COc1cccc(C(=O)NCc2cccc(CN3CCN(CCCCl)CC3)c2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.44136196
19471,COc1cccc(CN2CCN(CCCC(=Cc3ccccc3)Nc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.37822297
19472,COc1cccc(CN2CCN(CCCC3CCC3c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6269474
19473,COc1ccccc1-c1cc(C(=O)NCCN2CCN(O[N+](=O)[O-])CC2)ccc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30017042
19474,COc1ccccc1N1CCN(CCN2CCC(C(=O)NCc3ccncc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.86611885
19475,COc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccc(F)cc4)cnn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8527069
19476,CSOc1ccc(OCCNCC2CCc3ccc(S(C)(=O)=O)cc3C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.14989196
19477,CSc1cccc2c1CCCC2NCCOc1ccc(ON=S(C)(=O)O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1615508
19478,Cc1cc(OCCN2CCC(C(=O)c3ccc(Cl)cc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.49347976
19479,Cc1cc(OCCN2CCC(Oc3ccc(CC4CCNC(=O)C4)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5168611
19480,Cc1cc(OCCNCC2CC(=O)c3ccccc3C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.12952738
19481,Cc1cc(OCCNS(C)(=O)=O)ccc1ONCCc1ccc(C)c2c1NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.067458116
19482,Cc1ccccc1N1CCN(CCN2CCC(CNC(=O)NCc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6236167
19483,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68017066
19484,Cc1ccccc1N1CCN(CCN2CCC(n3cc(C(F)(F)F)ccc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6753117
19485,FC(F)(F)Oc1ccccc1N1CCN(CCN2CCC(Nc3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8266524
19486,FC(F)(F)c1ccccc1N1CCN(CCN2CCC(c3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8379794
19487,OCc1ccc(-c2cccc3c2CN2CCc4cc(O)c(CO)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54358476
19488,Oc1[nH]c2ccccc2c1-c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65728265
19489,Oc1cc2c(cc1-c1ccc(Cl)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.81259316
19490,CC(=O)c1ccc2c(c1)CC(NCCOc1ccc(ON=S(C)(=O)O)c(C)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.2218326
19491,CC1(C)CCc2ccccc2N1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6449931
19492,CCCC1C(=O)CCc2ccc(S(=O)(=O)NCCOc3ccc(ON)c(C)c3)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.16038382
19493,CCCCc1cccc2c1CN1CCc3cc(Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7146992
19494,CCCOc1ccc(OCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.42906767
19495,CCCOc1ccc(OCN2CCN(c3ccccc3OC(C)C)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.749099
19496,CCCOc1ccc(ON2CCN(C)CC2)c(N=S(C)(=O)O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.283065
19497,CCCOc1ccc(OOC)c(C(N)Cc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15434122
19498,CCCOc1ccc(OS(C)(=O)=O)c(CC(=O)COc2ccc3c(c2)N(C)CCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26724523
19499,CCCOc1ccc(OS(C)(=O)=O)c(CCOc2ccc(CCCF)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1156944
19500,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(Cc3ccc(OC4CC(=O)N=C4C)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.069917746
19501,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)COc2ccc(C(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.006974518
19502,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)Cc2ccc(CC(C)N)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.007750679
19503,CCCc1cc2c(cc1C)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6652736
19504,CCOCc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.743322
19505,CNc1ccc(Cc2cc3c(cc2OC)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52912027
19506,COC1CCN(CCN2CCN(c3ccccc3NS(=O)(=O)c3cccs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5329004
19507,COCCCN1CCN(Cc2cccc(-c3ccccc3Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56189185
19508,COCCCN1CCN(Cc2cccc(C(=O)N3C(=O)c4ccccc4C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51641816
19509,COCCCN1CCN(Cc2cccc(C(=O)NC3CCCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5293315
19510,COCCCN1CCN(Cc2cccc(N(C)C(=O)c3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.42302367
19511,COCCOc1ccc(OC)c(CCF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10256007
19512,COCCOc1ccc(OCF)c(N2CCN(c3ccccc3OCCF)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.41819695
19513,COCCOc1ccc(OCNc2ccccc2C)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07251533
19514,COOc1ccc(OCCN2CCC(=O)Nc3cc(CC(=O)O)ccc3C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.3673722
19515,COc1cc(C(=O)NCCN2CCN(c3cccc(C)c3C)CC2)ccc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.78768057
19516,COc1cc2c(cc1CNc1cccc(CO)c1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38239312
19517,COc1cc2c(cc1O)C1Cc3cccc(C=NOCc4ccc(F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7106972
19518,COc1cc2c(cc1O)C1Cc3cccc(N4CCOCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5099659
19519,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccccc3COC(C)C)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63354343
19520,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)c3ccc(OC)c4ccccc34)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5752128
19521,COc1cc2c(cc1OC)C1Cc3cccc(OC(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7890211
19522,COc1cc2c(cc1OCc1ccc3ccccc3c1)CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58114153
19523,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(cccc3Oc3ccccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64572936
19524,COc1ccc(OCCCS(=O)(=O)c2ccccc2F)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.11221377
19525,COc1ccc(OCCN=S(C)(=O)O)cc1CCCc1cc(C)no1,[*]CCOc1ccc(O[*])c([*])c1,0.047820464
19526,COc1ccc(OCCNC(=O)CCc2ccc3c(c2)NC(=O)CC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08221728
19527,COc1ccc(OCCNC(=O)COc2ccccc2)cc1C(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.03928072
19528,COc1ccc(OCCNC(C)=O)cc1N1CCN(c2ccccc2OC(C)C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.38852993
19529,COc1ccc(OCCOS(C)(=O)=O)cc1N1CCC(Oc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.49308392
19530,COc1ccc2c(c1)cc(O)n2-c1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7575586
19531,COc1cccc(CN2CCN(CCCCN(C(C)=O)C3CCCCC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5485964
19532,COc1cccc(CN2CCN(CCCCNC(=O)c3cc4ccccc4cc3OC)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55432427
19533,COc1cccc(CN2CCN(CCCCNCc3ccc4ccccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46313775
19534,Cc1cc(OCCN2CCC(c3ccccc3OC3CCCC3)CC2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6441722
19535,Cc1cc(OCCN=S(C)(=O)O)ccc1OCN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.17239384
19536,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCC(Oc2ccc(CCCF)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21307729
19537,Cc1cccc(Cc2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66166097
19538,ClC1CCN(CCN2CCN(c3ccccc3-c3nnc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76501215
19539,FC(F)(F)Oc1ccccc1N1CCN(CCN2CCC(Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.800632
19540,O=C(Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)C1CCCCC1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39201242
19541,O=C(O)C1Cc2ccccc2N1CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67237717
19542,O=Cc1ccn(C2CCN(CCN3CCN(c4ccccc4F)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7479042
19543,O=S1(=O)Cc2cc(F)ccc2N1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6793913
19544,O=[N+](O)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63719803
19545,ON=Cc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71708095
19546,Oc1cccc2c1CN1CCc3cc(-c4cccnc4)c(Br)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5849866
19547,C=S(O)(O)=NCCOc1ccc(OC)c(NC(=O)Cc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0069220667
19548,CC(=O)N1CCN(Oc2ccc(OCCNC(=O)c3ccc(F)cc3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.066920705
19549,CC(C)Oc1ccccc1N1CCN(CCN2CCC(n3ccc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77427363
19550,CCCOc1ccc(ON=S(C)(=O)O)c(NCc2ccccc2OC2CCCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11044061
19551,CCCOc1ccc(OS(C)(=O)=O)c(-c2cc(F)ccc2CCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.081205755
19552,CCCOc1ccc(OS(C)(=O)=O)c(-n2ccc(C3CCCCN3C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30374834
19553,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3ccc(F)cc3)C(=O)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25491318
19554,CCCOc1ccc(OS(C)(=O)=O)c(NCc2ccc(OCC(F)(F)F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05084314
19555,CCOC(=O)Oc1ccc(OCCCOc2cccc(F)c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.03593615
19556,CCc1cc2c(cc1C)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58945054
19557,CCc1cccc2c1CN1CCc3cc(CO)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73485065
19558,CNOc1ccc(OCCN2CCN(c3ccc(OCC(F)(F)F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5630029
19559,COC1CCN(CCN2CCN(c3ccccc3-c3ncc4ccccn34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6126322
19560,COC1CCN(CCN2CCN(c3ccccc3-n3c(O)cc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7511499
19561,COC1CCN(CCN2CCN(c3ccccc3C(=O)OCCc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.60400826
19562,COCCOc1ccc(ON2CCC=CC=CC3=CN(CC2)C3=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13665086
19563,COCCc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.84821457
19564,COS(=O)(=O)Oc1ccc(OCCNCc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.27851793
19565,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc([N+](=O)[O-])cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5003877
19566,COc1ccc(-c2ccc(C(=O)NCCN3CCN(OC)CC3)cc2O)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3090024
19567,COc1ccc(C#Cc2cc3c(cc2OC)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73364866
19568,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccco1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26401782
19569,COc1ccc(C(=O)NCCN2CCN(c3cccc(C)c3OC)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.7301426
19570,COc1ccc(CNC(=O)c2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48145488
19571,COc1ccc(CNc2cc(OCCN=S(C)(=O)O)ccc2OC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.0389938
19572,COc1ccc(OCCC2CCN(C(=O)c3cccc(C(C)=O)c3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.07642389
19573,COc1ccc(OCCCN2CC(Cc3ccc(F)cc3)CC2=O)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.20918675
19574,COc1ccc(OCCCN2CCN(c3ccc(C)cc3)CC2)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.66655105
19575,COc1ccc(OCCCN2CCN(c3ccccc3OC)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.92836595
19576,COc1ccc(OCCCNS(=O)(=O)c2ccc(F)cc2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08595712
19577,COc1ccc(OCCCn2ccc(CCCF)c2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.12464427
19578,COc1ccc(OCCF)cc1S(=O)(=O)c1ccc(OC(F)(F)F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.053185895
19579,COc1ccc(OCCN2CCC(C(=O)c3ccccc3F)CC2)cc1SC(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.5277295
19580,COc1ccc(OCCN2CCC(O)(c3ccc(F)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.556184
19581,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCc2cc(CC3CCCC3)ccc2C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.26752195
19582,COc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1CN1CCC(C)(O)SC1,[*]CCOc1ccc(O[*])c([*])c1,0.12550595
19583,COc1ccc(OCCNCc2ccc(F)cc2)cc1S(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.13058577
19584,COc1ccc(OCCOS(C)(=O)=O)cc1CCOc1ccccc1C(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.13128717
19585,COc1cccc(-c2ccccc2N2CCN(CCN3CCC(Br)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8336459
19586,COc1cccc(CN2CCN(CCCOCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66098326
19587,COc1cccc(NC(=O)Oc2cc3c(cc2OC)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38063186
19588,COc1cccc2c1CN1CCc3cc(C)c(COc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61926174
19589,COc1cccc2c1CN1CCc3cc(C)c(Oc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6705293
19590,COc1cccc2c1CN1CCc3cc(SCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58923954
19591,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc4ccc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8517367
19592,COc1ccccc1N1CCN(CCN2CCC(n3cc4cc(Cl)ccc4c3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8258015
19593,CSc1ccc(Oc2ccc(OCCNCCc3ccc(F)cc3)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.15823269
19594,Cc1cc(OCCN2CCC(c3ccc(Cl)cc3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.70138466
19595,Cc1cc(OCCN2CCN(c3ccccc3OC(C)C)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.7392513
19596,Cc1cc(OCCNC(=O)c2ccc3c(c2)CCN(Cc2ccccc2)CC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.27150878
19597,Cc1cc(OCCc2ccccc2)ccc1OCC1CCN(C)C1,[*]CCOc1ccc(O[*])c([*])c1,0.37993574
19598,Cc1cc2c(cc1O)CCN1Cc3c(Cc4cccc([N+](=O)[O-])c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4516099
19599,N#CC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccc(O)cc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7830798
19600,O=c1ccccn1-c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7490086
19601,Oc1cccc2c1CN1CCc3cc(Oc4ccc5[nH]ccc5c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6869481
19602,C#CCc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8623441
19603,CC#Cc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8725238
19604,CC(=O)NOc1ccc(OCCNCCc2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.098650694
19605,CC(C)(C)c1ccccc1N1CCN(CCN2CCC(c3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7939259
19606,CCCCc1ccccc1N1CCN(CCOc2ccc(ONC)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.64917046
19607,CCCCn1cc(CCOc2ccc(OC)c(C(=O)N3CCN(c4ccccc4OC)CC3)c2)nn1,[*]CCOc1ccc(O[*])c([*])c1,0.118622236
19608,CCCOc1ccc(OC=O)c(N2CCCN(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2260395
19609,CCCOc1ccc(OCCCN2CCN(c3ccccc3OC)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.9279192
19610,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(Cc3ccc(N4CCCCC4)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.127179
19611,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)COc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.00791523
19612,CCOc1ccccc1CNc1cc(OCCSC)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.13908243
19613,CCS(=O)C1CCCN1CCOc1ccc(ON)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30055648
19614,COC1CCN(CCN2CCN(c3ccccc3-c3ccc4nc(O)ccc4c3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7408338
19615,COC1CCN(CCN2CCN(c3ccccc3-c3nc4ccccc4c4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74550545
19616,COC1CCN(CCN2CCN(c3ccccc3COc3ccc4cc(O)ccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6933384
19617,COCCCN1CCN(Cc2cccc(-c3nc(-c4ccccc4)cs3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6194507
19618,COCCCN1CCN(Cc2cccc(-n3ccn(-c4ccccc4)c3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56261754
19619,COCCCN1CCN(Cc2cccc(NC(=O)C3CCCCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4138338
19620,COCCOc1ccc(OC2CCN(c3ccc(Cl)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3287631
19621,CON1CCN(CCNC(=O)c2ccc(-c3ccccc3C)c(S(C)(=O)=O)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30355135
19622,COc1cc(CN2CCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)CC2)ccc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.4248835
19623,COc1cc2c(cc1O)CCN1Cc3c(CCOc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75721127
19624,COc1cc2c(cc1O)CCN1Cc3c(cccc3[N+](=O)c3cccc(C#N)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.637881
19625,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1S(C)(=O)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26822445
19626,COc1ccc(OCCN2CCC(c3ccc(F)cc3F)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6667681
19627,COc1ccc(OCCN2CCC(c3cccc(C(C)=O)c3)CC2)cc1C(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.59875935
19628,COc1ccc(OCCNCCc2ccc(F)cc2)cc1OS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.16189463
19629,COc1ccc(OCCOS(C)(=O)=O)cc1N1CCCC(Oc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.28160846
19630,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(Oc2ccc(CC3CCCC3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.23408195
19631,COc1ccc(OCCSC)cc1N1CCC(Cc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.37031347
19632,COc1ccc(OCCSC)cc1NC1CCC(Oc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20755798
19633,COc1cccc(C2CCN(CCOc3ccc(OC)c(C(C)=O)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.682172
19634,COc1cccc2c1CN1CCc3cc(-c4cccc5cccnc45)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65893734
19635,COc1cccc2c1CN1CCc3cc(C=NOc4ccccc4Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5951259
19636,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3cccc(F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87114257
19637,CSOc1ccc(OCCN2CCC(CCc3ccc4c(c3)NC(=O)CC4)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6178578
19638,C[N+]c1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67688245
19639,Cc1cc(OCCCCOc2ccc3c(c2)NC(=O)CC3)ccc1ON(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.18465978
19640,Cc1cc(OCCF)ccc1ON1CCN(Cc2ccccc2S(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3902733
19641,Cc1cc(OCCNC(=O)c2ccc(F)cc2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.023857903
19642,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cc4ccccc4nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.61988443
19643,Cc1ccccc1N1CCN(CCN2CCC(c3ccc([N+](=O)[O-])cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.54128224
19644,Cc1ccccc1N1CCN(CCN2CCC(c3cccc(-c4ccc(C(N)=O)cc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.611648
19645,Fc1cccc(CN2CCN(CCCC3OCCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6212232
19646,N#Cc1cc2c(cc1Oc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72504586
19647,N#Cc1ccccc1N1CCN(CCN2CCC(Nc3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84637606
19648,O=C(c1cccc(CN2CCN(CCCF)CC2)c1)N1CCCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5960667
19649,O=C1CCCN1c1ccc(-c2cccc(CN3CCN(CCCF)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6377446
19650,O=S(=O)(Oc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)c1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64623994
19651,O=[N+]([O-])C1CCN(CCN2CCN(c3ccccc3-c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6204551
19652,O=[N+]([O-])c1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccc4)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6077886
19653,OCc1csc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71591926
19654,Oc1cc2c(cc1-c1cc3ccccc3[nH]1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61479264
19655,Oc1cc2c(cc1O)C1Cc3cccc(Cc4ccsc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74752206
19656,Oc1cccn1CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53761506
19657,CC(C)OC1CCN(CCN2CCN(c3ccccc3NS(=O)(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4939601
19658,CC(N=Cc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2)c1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62602144
19659,CCCOc1ccc(OC(C)COc2ccccc2)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.67741466
19660,CCCOc1ccc(OCN2CCN(c3ccccc3F)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.57184273
19661,CCCOc1ccc(OCOCCF)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8204436
19662,CCCOc1ccc(ON2CCC(C(=O)c3ccc(SC)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11189044
19663,CCCOc1ccc(ON2CCC(c3cc(OC)n(CCC=O)c3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35323718
19664,CCCOc1ccc(Oc2ccc(C(C)=O)cn2)c(CCN2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.67011964
19665,CCCc1ccc(OCCc2cc(OCCS(C)(=O)=O)ccc2OC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.0767881
19666,CCOC(=O)c1cc2c(cc1OCc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4038625
19667,CCOOc1ccc(OCCN2CCN(c3ccccc3OCC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.7406969
19668,CCOc1ccccc1-c1ccc(C(=O)NCCN2CCN(OC)CC2)cc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35747728
19669,CNC(=O)C1CCN(CCN2CCN(c3ccccc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.632521
19670,COC1CCN(CCN2CCN(c3ccccc3-n3cccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8433314
19671,COC1CCN(CCN2CCN(c3ccccc3OC(=O)c3cccc(C#Cc4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7182012
19672,COc1cc2c(cc1O)C1Cc3cccc(Cc4cc(OC)c5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7516471
19673,COc1cc2c(cc1OC)C1Cc3cccc(COc4ccccc4C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7288937
19674,COc1ccc(C(=O)NCCN2CCN(O)CC2)cc1-c1ccccc1SC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3427969
19675,COc1ccc(Cc2cc3c(cc2C)CCN2Cc4c(cccc4OC)CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5858736
19676,COc1ccc(OCCC(N)=O)cc1CCNc1ccccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.011148971
19677,COc1ccc(OCCCN2CCC(c3ccccc3OC3CCC3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.7444141
19678,COc1ccc(OCCF)cc1CNCC1CCc2ccc(S(C)(=O)=O)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.27882612
19679,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)cc1OS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.6831773
19680,COc1ccc(OCCN2CCC(c3ccccc3C=O)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.7047066
19681,COc1ccc(OCCN=S(C)(=O)O)cc1CN1CCC(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3846372
19682,COc1ccc(OCCNC(=O)c2cccs2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.026449488
19683,COc1ccc(OCCNC=O)cc1CCCc1ccc2c(c1)CC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.22780354
19684,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(=O)C(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3214156
19685,COc1ccc(OCCOS(C)(=O)=O)cc1C1CCN(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.63476676
19686,COc1ccc(OCCS(C)(=O)=O)cc1C(C)COc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.06444282
19687,COc1cccc(C(=O)NC2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.89189816
19688,COc1cccc(C(=O)NCc2ccccc2N2CCN(CCN3CCC(C)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6773193
19689,COc1cccc(CN2CCN(CCCN3c4ccccc4CC3(C)C)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64159876
19690,COc1cccc(CN2CCN(CCCNS(=O)(=O)c3ccc4ccccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.43117398
19691,COc1cccc2c1CN1CCc3cc(-c4cccc(C)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.674021
19692,COc1cccc2c1CN1CCc3cc(OCc4ccc(NC(C)=O)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32445866
19693,COc1ccccc1-c1cc(C(=O)NCCN2CCN(N)CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.310248
19694,COc1ccccc1C(=O)N1CCN(COc2ccc(OCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.11876136
19695,COc1ccccc1CNCc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6158416
19696,COc1ccccc1N1CCN(CCN2CCC(c3ccccc3-c3ccco3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72018105
19697,COc1ccccc1N1CCN(Oc2ccc(OCCCOc3ccc(F)cc3)cc2C)C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.19622412
19698,CSOc1ccc(OCCN2CCC(NS(=O)(=O)c3ccccc3C)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.64203405
19699,Cc1cc(OCCC(=O)COc2ccccc2)ccc1OCN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.14979698
19700,Cc1cc(OCCCCCc2ccc3c(c2)NC(=O)CCC3)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2080774
19701,Cc1cc(OCCN)ccc1ONS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.058799125
19702,Cc1cc(OCCN2C=CCC(c3cccc(C(F)(F)F)c3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1888716
19703,Cc1cc(OCCN2CCCC(Oc3ccc(CC4CCCCC4)cc3)C2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.32115227
19704,Cc1cc(OCCNS(=O)(=O)c2ccc(CC3CCNC3)cc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.17842133
19705,Cc1cc(OCCNS(C)(=O)=O)ccc1ONC(=O)Cc1ccc(OC2CCNCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.033918798
19706,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCCC(CCc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.23146093
19707,Cc1ccc(C(=O)Nc2cc3c(cc2C)CCN2Cc4c(O)cccc4CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3040392
19708,O=C(NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)c1ccc(-c2ccccn2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.809323
19709,O=S1(=O)C=Cc2ccccc2N1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6110379
19710,Oc1cc2c(cc1-c1ccno1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6532145
19711,CC1CCN(CCN2CCN(c3ccccc3-n3cc(O)nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7011958
19712,CCCOc1ccc(OC(N)=O)c(N2CCC(Cc3noc4ccccc34)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18484338
19713,CCCOc1ccc(OC)c(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3885195
19714,CCCOc1ccc(OCC(=O)c2ccc(F)cc2)c(NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.025795182
19715,CCCOc1ccc(OF)c(N2CCCC(Cc3ccc(OC4CCCCC4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21377784
19716,CCCOc1ccc(ON)c(CCNC(=O)c2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.029042521
19717,CCCOc1ccc(ONCCc2ccc(F)cc2)c(CS(=O)(=O)O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.041272346
19718,CCCOc1ccc(ONCc2ccc(F)cc2)c(NS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09105449
19719,CCCOc1ccc(ONS(C)(=O)=O)c(CCCc2ccc(OC3CCNC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18393749
19720,CCCOc1ccc(OS(C)(=O)=O)c(CC2CC(=O)Cc3cc(CC(C)C)ccc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21116547
19721,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3ccc(OC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2634935
19722,CCCOc1ccc(OSC)c(CCCCC2CCCc3cc(ccc3OC3CNC(=O)C3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19137552
19723,CCNC(=O)Cc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41810685
19724,CCOC(=O)Nc1cccc(-c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.27268028
19725,CCOc1ccccc1N1CCN(CCN2CCC(C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.800554
19726,CCOc1ccccc1N1CCN(Cc2cc(OCCOC)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8574885
19727,CNOc1ccc(OCCN2CCC(COc3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.56602514
19728,COC1CCN(CCN2CCN(c3ccccc3-c3c(O)ccc4ccc(O)nc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68543774
19729,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3ccc4ccc(O)cc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70293874
19730,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4ccc(O)cc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8514223
19731,COc1c(Cl)cccc1-c1ccc(C(=O)NCCN2CCN(OC)CC2)cc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2773819
19732,COc1cc2c(cc1O)C1Cc3cccc(C[N+](O)Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73203
19733,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(C)c(C)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54608333
19734,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)NCc4cccc(F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4567593
19735,COc1cc2c(cc1OC)C1Cc3cccc(NC(O)CCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46555826
19736,COc1cc2c(cc1OC)C1Cc3cccc(O[SH](C)c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75823534
19737,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(cccc3-c3c(OC)cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67587996
19738,COc1cc2c(cc1Oc1ccc(C)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76412266
19739,COc1cc2c(cc1[N+](=O)[O-])CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53233266
19740,COc1ccc(OCCCN2CCC(C)=CO2)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.3481132
19741,COc1ccc(OCCN=CN2CCCC2)cc1-c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.23470965
19742,COc1ccc(OCCN=S(C)(=O)O)cc1CN1CCC(F)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.33886638
19743,COc1ccc(OCCNCCc2cc3ccccc3o2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.17172225
19744,COc1ccc(OCCS(C)(=O)=O)cc1-c1ccc(C2CCCCN2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.14394212
19745,COc1cccc(CN2CCN(CCCCN(C(C)=O)C3CCCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60259
19746,COc1cccc(CN2CCN(CCCCNC(=O)C3(C)CCc4ccccc4C3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59931666
19747,COc1cccc2c1CN1CCc3cc(C#Cc4cccnc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6228948
19748,COc1ccccc1N1CCN(CCN2CCC(COc3ccc4nc(O)[nH]c4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68928456
19749,COc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ncccn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9052876
19750,CSOc1ccc(OCCN2CC(Cc3ccc(F)cc3)CCO2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.22048827
19751,Cc1cc(OCCCN2CCN(c3ccc(F)cc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.66451865
19752,Cc1cc(OCCF)ccc1OS(=O)(=O)Nc1cccc(C(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.029445564
19753,Cc1cc(OCCN2CCC(Cc3ccc(F)cc3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.6305369
19754,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.69669366
19755,Cc1cc(OCCN2CCN(Cc3ccccc3)CC2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.5316009
19756,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCCC(Cc2ccc(C3CCCCC3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.12068922
19757,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCN(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.38449985
19758,Cc1cc(OCCNC(=O)COc2ccccc2C=[SH](N)=O)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.026088674
19759,Cc1cc(OCCNC(=O)c2cc3ccccc3s2)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.04418961
19760,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(N(C)C)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66712457
19761,Cn1c(-c2ccccc2)cnc1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7132132
19762,O=C(c1ccc(-c2ccccc2)cc1)C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8094788
19763,Oc1cc2c(cc1OCc1ccccc1Cl)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66274625
19764,Oc1cccc2c1CN1CCc3cc(ON=Cc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7279469
19765,Oc1nc2ccccc2n1C1CCN(CCN2CCN(c3ccccc3OC(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72038037
19766,CC(=O)NOc1ccc(OCCNCc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.14249955
19767,CCCCc1ccn(Oc2ccc(OCCC)cc2CN2CCN(c3ccccc3OC)CC2)n1,[*]CCOc1ccc(O[*])c([*])c1,0.6612642
19768,CCCOc1ccc(OC)c(NS(=O)(=O)c2ccccc2C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08925357
19769,CCCOc1ccc(OCN)c(CCNC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.024357451
19770,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCc3cc(CC4CCC4)ccc3CC2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3408704
19771,CCCOc1ccc(OS(C)(=O)=O)c(C(O)COc2ccc3c(c2)NC(=O)CCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22255452
19772,CCCc1cc(CCOc2ccc(OC)c(S(C)(=O)=O)c2)ccc1OC1CCCN1,[*]CCOc1ccc(O[*])c([*])c1,0.15790534
19773,CCNCc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6764708
19774,CCOc1ccccc1C(=O)NCOc1ccc(OCCOC)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.028690226
19775,CCOc1ccccc1S(=O)(=O)NOc1ccc(OCCCF)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.073634185
19776,CCS(=O)(O)=Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61235285
19777,CCc1ccccc1N1CCN(CCN2CCC(c3cn(C)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71588117
19778,CNC(=O)c1cc(CCCN2CCN(Cc3cccc(OC)c3)CC2)c2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46261355
19779,COCCCN1CCN(Cc2cccc(Sc3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6617619
19780,COOc1ccc(OCCNCCc2ccccc2OC)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.2493756
19781,COc1cc2c(cc1-c1cccc(CO)c1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7463322
19782,COc1cc2c(cc1Cc1ccc([N+](=O)[O-])cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4508246
19783,COc1cc2c(cc1Cc1ccc3c(OC)cccc3c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73960334
19784,COc1cc2c(cc1O)C1Cc3cccc(CC=NOCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75234973
19785,COc1cc2c(cc1O)CCN1Cc3c(cccc3NCc3ccc(C#N)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46208844
19786,COc1cc2c(cc1OC)C1Cc3cccc(C#N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8502357
19787,COc1cc2c(cc1OC)C1Cc3cccc(C[N+](=O)c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5493123
19788,COc1ccc(Br)cc1-c1cccc(C2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77455866
19789,COc1ccc(COc2cc3c(cc2OC)CCN2Cc4c(cccc4-c4cccc([N+](=O)[O-])c4)CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3726988
19790,COc1ccc(OCCC(=O)COc2ccc3c(c2)NC(=O)CC3)cc1NC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.11689485
19791,COc1ccc(OCCC(C)=O)cc1N1CCC(c2noc3cc(F)ccc23)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25698915
19792,COc1ccc(OCCC=N)cc1NCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.08103114
19793,COc1ccc(OCCCCOc2ccccc2C)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09249658
19794,COc1ccc(OCCCS(C)(=O)=O)cc1N1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.26955697
19795,COc1ccc(OCCN2CCC(S(=O)(=O)Cc3ccc(F)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.66083634
19796,COc1ccc(OCCN2CCCC(Cc3ccc(F)cc3)C2)cc1S(=O)(=O)OC,[*]CCOc1ccc(O[*])c([*])c1,0.42140743
19797,COc1ccc(OCCNC(=O)c2ccc3c(c2)NC(=O)CC3)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.09432093
19798,COc1ccc(OCCNCc2ccccc2)cc1S(=O)(=O)c1cccc(Cl)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28953925
19799,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Cc2ccc3c(c2)NC(=O)CCC3)C(=O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.35016888
19800,COc1ccc(OCCS(C)(=O)=O)cc1NC(=O)COc1ccc2nc(C)ccc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.0042056865
19801,COc1cccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6697499
19802,COc1cccc(CN2CCN(CCCCNC(=O)c3ccc4occc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5589383
19803,COc1cccc2c1CN1CCc3cc(CC#N)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7801851
19804,COc1ccccc1N1CCN(CCN2CCC(Cc3ccc4c(c3)OCO4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75399417
19805,Cc1cc(OCCF)ccc1OCN1CCN(c2cccc(C(C)C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.45733795
19806,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCC4)SC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5685491
19807,Cc1cc(OCCNC(=O)CCc2ccc3c(c2)CCCC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.051058095
19808,Cc1cc(OCCNC2CCC(Cc3ccc(F)cc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.15763888
19809,Cc1cc(OCCNS(=O)(=O)c2cccc(C(C)C)c2)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.06788717
19810,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCCC(CCc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.30190197
19811,Cc1cccc(CCCN2CCN(Cc3cccc(Cl)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61515594
19812,Fc1ccc(C2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8723492
19813,Fc1cccc(CN2CCN(CCCCNc3nccc4ccccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6493703
19814,O=C(NCc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1ccc(Cl)nc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71989334
19815,O=S(O)(=Cc1ccccc1)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45041177
19816,OC1CCN(CCN2CCN(c3ccccc3-c3cn4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7465737
19817,OC1c2ccccc2CCC1c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8008854
19818,Oc1cc2c(cc1OCC(F)(F)F)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6919614
19819,Oc1ccc(Cc2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76799476
19820,Oc1ccc2ccc(-c3ccccc3N3CCN(CCN4CCC(F)CC4)CC3)cc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68658626
19821,C#Cc1cc2c(cc1OC)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73292863
19822,CCCCN1CCN(Cc2cccc(-c3cccc(=O)o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5088447
19823,CCCOc1ccc(ON)c(N2CCCN(c3ccccc3OC(F)(F)F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34015927
19824,CCCOc1ccc(ON2CCCC(c3ccccc3)C2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29035813
19825,CCCOc1ccc(ON2CCN(C(=O)OC)CC2)c(NCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09209889
19826,CCCOc1ccc(ON2CCN(c3ccccn3)CC2)c(NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09986735
19827,CCCOc1ccc(ONC(C)=O)c(C(=O)COc2cccc(F)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0815485
19828,CCCOc1ccc(ONCc2ccccc2)c(N=S(C)(=O)O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08728266
19829,CCCOc1ccc(OS(=O)(=O)NC)c(N2Cc3cccc(CC4CCCCC4)c3CC2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22930709
19830,CCCOc1ccc(OS(C)(=O)=O)c(CCCSc2cccc(F)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06810054
19831,CCCOc1ccc(OS(C)(=O)=O)c(N2CCc3cc(CC4CCCC4)ccc3CC2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30131814
19832,CCOCCCN1CCN(Cc2cccc(Cc3cccc(OC)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5940347
19833,COC(=O)Cc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.44826052
19834,COC(=O)NCc1cc2c(cc1C)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41523832
19835,COCC1CCN(c2cc(OCCCS(=O)(=O)c3ccccc3C(C)C)ccc2OC)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2281157
19836,COCCCN1CCN(Cc2cccc(-c3cccc4c(=O)c5ccccc5c(=O)[nH]c34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4602019
19837,COCCCN1CCN(Cc2cccc(C3=CC(=O)NC3c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60459375
19838,COc1cc2c(cc1-c1cccc3ccc(CO)cc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7191636
19839,COc1cc2c(cc1C(=O)O)C1Cc3cccc(Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49630573
19840,COc1cc2c(cc1CO)C1Cc3cccc(Oc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.584836
19841,COc1cc2c(cc1O)C1Cc3cccc(C(=O)OCc4ccc(C(F)(F)F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5400405
19842,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc5cccccc4-5)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64345163
19843,COc1cc2c(cc1OC)C1Cc3cccc(C4CCCCN4OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5902762
19844,COc1ccc(C2CCN(CCCOc3ccc(OS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.71304345
19845,COc1ccc(OCCC(N)=O)cc1CNCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.03430627
19846,COc1ccc(OCCC=S(C)O)cc1C(C)COc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.16543242
19847,COc1ccc(OCCCC2CCC(c3ccccc3OC)=NC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.27968487
19848,COc1ccc(OCCCN2CCC(c3cccc(C(F)(F)F)c3)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.6901639
19849,COc1ccc(OCCCOC(C)=O)cc1CN1CCC(c2ccc(SC)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.43973565
19850,COc1ccc(OCCF)cc1CS(=O)(=O)c1ccc(Cl)cc1C(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.043377306
19851,COc1ccc(OCCN2CCC(NS(=O)(=O)c3ccc(F)cc3F)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.6828998
19852,COc1ccc(OCCN=S(C)(=O)O)cc1C=Cc1ccccc1OC1CCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.12700024
19853,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(CC(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24125934
19854,COc1ccc(OCCNS(=O)(=O)c2ccc(F)c(F)c2)cc1N1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.36694735
19855,COc1ccc(OCCSC(N)=O)cc1CCCc1ccc2c(c1)NC(=O)CCC2,[*]CCOc1ccc(O[*])c([*])c1,0.15107617
19856,COc1cccc2c1CN1CCc3cc(C(O)c4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6360471
19857,COc1ccccc1-c1cc(C(=O)NCCN2CCN(NS(C)(=O)=O)CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29896092
19858,COc1ccccc1N1CCN(CCN2CCC(c3cnc(-c4cccs4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87814784
19859,COc1ccccc1N1CCN(CCN2CCC(n3cc(Cl)ccc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8570766
19860,COc1ccccc1N1CCN(CCN2CCC(n3ccc(-c4ccc(Br)cc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77774274
19861,Cc1cc(OCCN2CCCC(Cc3cccc(C(F)(F)F)c3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.40627274
19862,Cc1cc(OCCNC(=O)Cc2ccccc2)ccc1OCN1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.08982033
19863,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(c2ccc(OC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2567915
19864,Cc1cc(OCCNS(C)(=O)=O)ccc1ONCc1ccc(Cl)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.069117665
19865,Cc1cc(OCCOS(C)(=O)=O)ccc1ON1CCC(Cc2ccc3c(c2)C(=O)CCC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19827701
19866,Cc1ccc(CNCCOc2ccc(ON=S(C)(=O)O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.12613165
19867,Fc1ccc(-c2cncc(CCCCN3CCN(Cc4cccc(F)c4)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68327814
19868,O=C1C(c2cccc(CN3CCN(CCCc4ccccc4)CC3)c2)=Cc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63601
19869,O=C1C=C(C(=O)NCc2cccc(CN3CCN(CCCCl)CC3)c2)CCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.44511414
19870,O=C1CC2(CCCC2)CC(=O)N1CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68256885
19871,Oc1cccc2c1CN1CCc3cc(N4CCN(c5c[nH]c6ccc(F)cc56)CC4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5588121
19872,CC(=O)N(Cc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1)C1Cc2ccccc2C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63101196
19873,CC1(C(=O)NCCCCN2CCN(Cc3cccc(F)c3)CC2)Cc2ccccc2C1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5010722
19874,CC1Cc2ccccc2N1C(=O)c1cccc(CN2CCN(CCCOc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6790112
19875,CC=Cc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.86920345
19876,CCCCCOc1ccc(OCN2CCN(c3ccccc3OC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6539208
19877,CCCCN1CCC(c2cc(OCCF)ccc2OS(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.65856886
19878,CCCOc1ccc(OF)c(N2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31693387
19879,CCCOc1ccc(OS(=O)(=O)O)c(CCCc2ccc(OC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08719693
19880,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(C(=O)c3cc(F)ccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1886102
19881,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC2C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24539468
19882,CCOc1cc(OCCCN2CCN(c3ccccc3OCC)CC2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.95039594
19883,CCOc1ccccc1CN1CCN(CCOc2ccc(OC)c(C(C)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.35249096
19884,CCSc1ccccc1N1CCN(CCN2CCC(c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69240844
19885,CN1Cc2c(O)cccc2CC1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67122835
19886,COC(=O)N1c2ccccc2CC1c1cccc(CN2CCN(CCCOC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6396157
19887,COC1CCN(CCN2CCN(c3ccccc3-c3cccn3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7825063
19888,COC1CCN(CCN2CCN(c3ccccc3NC(=O)C#Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.42862883
19889,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccc(-c4ccccc4)s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4740412
19890,COC1CCN(CCN2CCN(c3ccccc3Oc3cc4ccccc4nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7518862
19891,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(CNc5ccccc5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48689312
19892,COc1cc2c(cc1O)C1Cc3cccc(N4CCN(C)CC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6957975
19893,COc1cc2c(cc1OCc1ccc(NC(C)=O)cc1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.26902282
19894,COc1cc2c(cc1Oc1ccccc1)CCN1Cc3c(cccc3C(=O)OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48210046
19895,COc1ccc(-c2cc3c(cc2OC)C2Cc4cccc(Cc5ccccc5)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66784185
19896,COc1ccc(CC2CCN(c3cc(OCCN=S(C)(=O)O)ccc3OC)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.18091957
19897,COc1ccc(CNOc2ccc(OCCNS(C)(=O)=O)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.070408076
19898,COc1ccc(OCCC(C)=O)cc1NC(=O)Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.0064614317
19899,COc1ccc(OCCCC(=O)Cc2ccc3c(c2)NC(=O)CC3)cc1OS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.19881397
19900,COc1ccc(OCCN2CCC(c3ccc(OS(C)(=O)=O)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.700645
19901,COc1ccc(OCCN2CCCC(C(=O)c3ccc(F)cc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.6206323
19902,COc1ccc(OCCN2CCCCC2OCc2ccccc2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.42874107
19903,COc1ccc(OCCNC(=O)c2cccc3c(C)cccc23)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.014554893
19904,COc1ccc(OCCNC(C)=O)cc1N1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23867501
19905,COc1ccc(OCCS(C)(=O)=O)cc1-c1ccc(C2CCNCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.17872995
19906,COc1ccc(OCCS(C)(=O)=O)cc1C1CC(Cc2ccc(F)cc2)CC(=O)N1,[*]CCOc1ccc(O[*])c([*])c1,0.119025365
19907,COc1ccc2c(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)cc(O)nc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65623975
19908,COc1cccc(C(=O)Nc2cc(OCCN(C)C)ccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.024524061
19909,COc1cccc(CN2CCN(CCCCNC(=O)C(C)(C)C)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5723038
19910,COc1ccccc1N1CCN(CCNC(=O)c2ccc(S(=O)(=O)O)c(C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.7828877
19911,CS(=O)(=O)Oc1ccc(OCCN2CCCC2=O)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.17914286
19912,Cc1cc(OCCN2CCC(c3ccc(NS(C)(=O)=O)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6039324
19913,Cc1cc(OCCN2CCN(c3cccc4c3CCC(=O)C4)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6786684
19914,Cc1cc(OCCNC(=O)COc2ccccc2)ccc1ONS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.0320981
19915,Cc1cc(OCCS(C)(=O)=O)ccc1OCCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.22570476
19916,Cc1cccc(Cc2cccc3c2CN2CCc4cc(Cl)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65601265
19917,Fc1ccc(-c2ccc(CCCN3CCN(Cc4cccc(F)c4)CC3)s2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60936695
19918,Fc1ccc(-n2ccnc2C2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7299949
19919,N#Cc1ccc(-c2cccc3c2CN2CCc4cc(CO)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64071375
19920,NC(=O)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46344003
19921,O=C(Nc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2)C1CCCC1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38708937
19922,O=C(Nc1cccc(CN2CCN(CCCCl)CC2)c1)C1Cc2ccccc2-c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.38782904
19923,O=C(Nc1ccccc1)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38380963
19924,O=Cc1ccn(-c2cccc(CN3CCN(CCCF)CC3)c2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6128397
19925,Oc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(cccc3-c3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5567763
19926,C=CC1Cc2ccccc2N1Cc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65802056
19927,CC(C)CCCN1CCN(Cc2cccc(Cn3c(=O)n(-c4ccccc4)c(=O)c4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5144511
19928,CCCOc1ccc(OC(=O)NC)c(N2CCC(c3cccs3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17615253
19929,CCCOc1ccc(OC)c(CNS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08098276
19930,CCCOc1ccc(OCN2C=CN(C(C)=O)CC2)c(-c2ccc(C(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1494463
19931,CCCOc1ccc(OCOc2cccc(C(C)C)c2)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.78112
19932,CCCOc1ccc(ON2CCC(C(=O)c3ccccc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16147679
19933,CCCOc1ccc(ON2CCC(c3ccccc3OC3CC3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5360623
19934,CCCOc1ccc(ONS(C)(=O)=O)c(NCCc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18985628
19935,CCCOc1ccc(OOC)c(N2CCC(NC(=O)c3ccccc3OC)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19573161
19936,CCCOc1ccc(OOC)c(N2CCC(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34544587
19937,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Oc3ccccc3CC)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24251221
19938,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)Cc2ccc3c(c2)C(CCOC)CCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15689696
19939,CCCOc1ccc(OS(N)(=O)=O)c(CCOc2ccc(C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.078825325
19940,CCCOc1ccc(OSC)c(N2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2071455
19941,CCCc1ccc(OC2CCN(Oc3ccc(OCCS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.23553132
19942,CCOc1ccccc1N1CCN(CCN2CCC(c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87183
19943,CCc1ccccc1C1CCN(Oc2ccc(OCCNS(C)(=O)=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2901924
19944,COC1CCN(CCN2CCN(c3ccccc3Oc3cccc4ccc(O)nc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69162434
19945,COCCCN1CCN(Cc2cccc(CN(C)C(=O)c3cc4ccccc4s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.43055072
19946,COc1c(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)ccc2c(N(C)C)cccc12,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6746947
19947,COc1cc2c(cc1C1CCONC1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6742209
19948,COc1cc2c(cc1OC)C1Cc3cccc(C#Cc4ccc(C=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76581854
19949,COc1cc2c(cc1OC)C1Cc3cccc(C(C)O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6985826
19950,COc1ccc(OCCCCCc2ccc3c(c2)NC(=O)CC3)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.2770142
19951,COc1ccc(OCCCN2CCC(c3ccc(Cl)cc3)CC2)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.8319484
19952,COc1ccc(OCCCN2CCC(c3ccccc3OC3CCCC3)C2)cc1C(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5646555
19953,COc1ccc(OCCCS(=O)(=O)Cc2ccc(F)cc2)cc1N(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.13368315
19954,COc1ccc(OCCF)cc1CCN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.9050036
19955,COc1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1[SH]=O,[*]CCOc1ccc(O[*])c([*])c1,0.6425792
19956,COc1ccc(OCCN2CCN(Cc3ccccc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.62377113
19957,COc1ccc(OCCN=S(C)(=O)O)cc1CCN1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.61935616
19958,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(Cc2ccc(OC3CNCCC3F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23104256
19959,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCCC(Cc2ccc3c(c2)NC(=O)CC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.33492392
19960,COc1ccccc1CCCCN1CCN(Cc2cccc(S(N)(=O)=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63804525
19961,COc1ccccc1N1CCN(CCN2CCC(c3cccc(-c4cccnc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8443852
19962,COc1ccccc1N1CCN(CCN2CCC(c3cccc4cccnc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9046052
19963,Cc1cc(OCCCN2CCN(c3ccc(Cl)cc3)CC2)ccc1OF,[*]CCOc1ccc(O[*])c([*])c1,0.8064742
19964,Cc1cc(OCCNS(C)(=O)=O)ccc1OC1CCCC(Cc2ccc(OC3CCCCN3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.13466282
19965,Cc1cc(OCCNS(C)(=O)=O)ccc1OCOCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.09181305
19966,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(COc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2095537
19967,Cc1cc(OCCOc2ccc(F)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08502054
19968,Cc1cc2c(cc1O)C1Cc3cccc(-c4ccc5[nH]ccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5505413
19969,Cc1cc2c(cc1O)CCN1Cc3c(Cc4ccc(C#N)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57638526
19970,Cc1cccc(-c2cc(C(=O)NCCN3CCN(Cl)CC3)ccc2O)c1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.25875387
19971,Cc1cccc(CN2CCN(CCCCn3c(O)cc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7361925
19972,Clc1cccc(CN2CCN(CCCCc3cc(-c4ccccc4)co3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7218518
19973,FC(F)(F)c1ccn(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80077606
19974,Fc1ccc(C#CCOC2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74390864
19975,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)C(=O)NC1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5242896
19976,O=C(NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)c1ccc(Cl)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.89336586
19977,O=C1CC(CCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c2ccccc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6085197
19978,O=S(=O)(O)c1cccc(CN2CCN(CCCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6332353
19979,Oc1cc2c(cc1N=Cc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7128259
19980,Oc1cc2c(cc1O)OC(CNc1ccccc1N1CCN(CCN3CCC(Cl)CC3)CC1)CC2,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.44924587
19981,C#Cc1cccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65309244
19982,CC(C)c1ccccc1N1CCN(CCN2CCC(c3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7428291
19983,CC1CC(=O)N(CCCCN2CCN(Cc3cccc(Cl)c3)CC2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6324057
19984,CCCCN1CCN(Cc2cccc(-c3nc4ccccc4s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.52832603
19985,CCCNc1cc2c(cc1O)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36642587
19986,CCCOc1ccc(OS(N)(=O)=O)c(NC(C)COc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24472207
19987,CCCc1ccccc1S(=O)(=O)NCCOc1ccc(ONS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09385545
19988,CCOCCCOc1ccc(OCN2CCN(c3ccccc3OC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6261047
19989,CCOc1ccccc1N1CCN(CCCOc2ccc(OSC)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.91118383
19990,CCc1cccc2c1CN1CCc3cc(Cl)c(OCc4cccc(OC)c4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6386972
19991,COC(=O)C1Cc2ccccc2N1CCCN1CCN(Cc2cccc(OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61371773
19992,COCCOc1ccc(OC)c(C2CCCCC2c2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27916914
19993,COCCOc1ccc(OC)c(CN2CCN(Cc3cc4ccccc4o3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.64675814
19994,COCCOc1ccc(OCOc2cccc(NC(C)=O)c2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.009620505
19995,COCOc1cc2c(cc1OC)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6956866
19996,COOc1ccc(OCCN2CCC(Cc3cccc(N=S(C)(=O)O)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5747578
19997,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(O)c5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6722929
19998,COc1cc2c(cc1O)C1Cc3cccc(OC(=O)NCc4ccc([N+](=O)[O-])cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.33090904
19999,COc1cc2c(cc1OC)C1Cc3cccc(-c4c(C)cccc4C=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57913446
20000,COc1ccc(CC2CCN(Oc3ccc(OCCCN=S(C)(=O)O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.14469127
20001,COc1ccc(CCCOc2ccc(ONS(C)(=O)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07641951
20002,COc1ccc(CCOc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7767594
20003,COc1ccc(CN(C)C(=O)c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54480755
20004,COc1ccc(OCCCN2CCN(c3ccc(F)cc3)CC2)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.8386706
20005,COc1ccc(OCCF)cc1N1CCC(C(=O)Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.16729954
20006,COc1ccc(OCCN2CCC(Cc3cccc(F)c3)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.57718325
20007,COc1ccc(OCCN2CCCC2)cc1NS(=O)(=O)c1cccc(Cl)c1,[*]CCOc1ccc(O[*])c([*])c1,0.41990057
20008,COc1ccc(OCCNS(=O)(=O)c2ccc(C(C)C)cc2)cc1N(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.06903126
20009,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(Cc2ccc3c(c2)CC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.34273398
20010,COc1ccc(OCCS(C)(=O)=O)cc1CCOc1ccc(C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.061993342
20011,COc1ccc(OCCS(C)(=O)=O)cc1CCc1ccc(C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.059825886
20012,COc1ccc(OCCSCCc2ccc(F)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.114565544
20013,COc1ccc(S(=O)(=O)NC2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.58300865
20014,COc1cccc(C2CCN(Oc3ccc(OCCc4ccc(F)cc4)cc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3895312
20015,COc1cccc2c1CN1CCc3cc(-c4ccc(C)s4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61972505
20016,COc1ccccc1COc1cc2c(cc1C)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7320323
20017,COc1ccccc1N1CCN(CCN2CCC(c3nnc4cccccc3-4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83904195
20018,COc1ccccc1Oc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.37536433
20019,CS(=O)(=O)NOc1ccc(OCCNCc2ccccc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2963008
20020,CS(=O)(O)=NCCOc1ccc(OF)c(N2CCC(c3ccc(CC(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14688043
20021,Cc1cc(OCCCF)ccc1ONCCc1cccc(NC(=O)C2CCNC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03637323
20022,Cc1cc(OCCN2CCC(Cc3ccc(OC4CCNCC4)c(C(F)F)c3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.552742
20023,Cc1cc(OCCN2CCC3(CC2)C(=O)C=C(c2ccccc2)C3=O)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.5445896
20024,Cc1cc(OCCN2CCCC(CCc3ccc(F)cc3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.41204315
20025,Cc1cc(OCCN2CCCC(Cc3ccccc3)C2)ccc1OS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.40328047
20026,Cc1cc(OCCN=S(C)(=O)O)ccc1ONC(=O)Cc1ccc2c(c1)CCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.042182624
20027,Cc1cc(OCCNC(=O)Cc2ccccc2)ccc1ON1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.0654898
20028,Cc1cc(OCCS(=O)(=O)O)ccc1ON1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1663078
20029,Cc1ccccc1N1CCN(CCN2CCC(c3cccc(Oc4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7088949
20030,Fc1cccc(CN2CCN(CCCOc3ccc(-c4ccccc4)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66287655
20031,N#Cc1cccc(COc2cccc3c2CN2CCc4cc(Cl)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6040107
20032,O=C(Nc1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1)C1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.2901444
20033,O=C1C(=O)N(Cc2cccc(CN3CCN(CCCF)CC3)c2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5901983
20034,OCc1cccc2c1CN1CCc3cc(OCc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74872994
20035,CC(=O)N1CCN(Oc2ccc(OCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.0769642
20036,CC(=O)NC1CCN(CCOc2ccc(ONCc3c[nH]c4ccccc34)c(C)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.43487886
20037,CC(=O)c1ccc(CSCCCOc2ccc(ON=S(C)(=O)O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.05391882
20038,CC(C)Oc1ccccc1N1CCN(CCN2CCC(NC(=O)C=Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8161942
20039,CC(O)c1cccc(CN2CCN(CCCc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61582893
20040,CCCOc1ccc(OC(=O)OCC)c(NCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.020818386
20041,CCCOc1ccc(OCF)c(CN2CCC(Oc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.620955
20042,CCCOc1ccc(OF)c(N2CCN(c3ccccc3OC(C)C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37763983
20043,CCCOc1ccc(OOC)c(N2CCC(C(=O)c3cc(F)ccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22219221
20044,CCCOc1ccc(OOC)c(NCCc2ccccc2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05690982
20045,CCCOc1ccc(O[SH](C)(C)=O)c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26991743
20046,CCNC(=O)Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39681897
20047,CCOC(=O)c1cc2c(cc1Cl)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38505697
20048,CCOc1cc2c(cc1OC)C1Cc3cccc(Cc4cccc(OC)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.609334
20049,COC1CCN(CCN2CCN(c3ccccc3Cc3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6897069
20050,COOc1ccc(OCCCN2CCC(Cc3ccc4ccc(OC)cc4c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5182839
20051,COOc1ccc(OCCCOc2ccccc2OC)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.1282912
20052,COOc1ccc(OCCNC(=O)COc2ccc3c(c2)CC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.06273676
20053,COc1cc2c(cc1CO)CCN1Cc3c(Cc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7111963
20054,COc1cc2c(cc1O)C1Cc3cccc(C(=O)NCc4ccccc4C#N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.506276
20055,COc1cc2c(cc1O)C1Cc3cccc([O-])c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78243774
20056,COc1cc2c(cc1O)CCN1Cc3c(C=Nc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76535714
20057,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50673276
20058,COc1cc2c(cc1OC)C1Cc3cccc(Cc4cccc(C=O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63141733
20059,COc1ccc(CNCc2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6238457
20060,COc1ccc(OCCF)cc1CS(=O)(=O)c1cccc(C(N)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03386631
20061,COc1ccc(OCCN2CCC(Oc3ccc(Cl)cc3)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.55741936
20062,COc1ccc(OCCN2CCC(Oc3ccccc3C3CCCC3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6303116
20063,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.25266483
20064,COc1ccc(OCCS(C)(=O)=O)cc1C(C)COc1ccc2c(c1)CCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.14130585
20065,COc1ccc(OCCS(C)(=O)=O)cc1NCCc1cccc2c1CCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.13515532
20066,COc1ccc2c(c1)CCC(c1ccccc1N1CCN(CCN3CCC(OC)CC3)CC1)C2,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6778665
20067,COc1cccc(CN2CCN(CCCC(=O)Nc3cccc(OC)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.23304331
20068,COc1cccc(CN2CCN(CCCC3CCN(C(=O)c4ccc5ccccc5c4)C3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.41348195
20069,COc1cccc(CN2CCN(CCCCc3cccc(-c4cccs4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67404705
20070,COc1cccc(CN2CCN(CCCc3ccc4nc(O)oc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60122526
20071,COc1cccc(CN2CCN(Oc3ccc(OCCF)cc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.48867947
20072,COc1cccc2c1CN1CCc3cc(Cc4ccccc4)c(C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61949253
20073,COc1ccccc1-c1ccc(C(=O)NCCN2CCN([N+](=O)[O-])CC2)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.22704704
20074,COc1ccccc1CN1CCN(Oc2ccc(OCCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.52839017
20075,COc1ccccc1N1CCN(COc2ccc(OCCCCOc3ccc(F)cc3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6578484
20076,CS(=O)(=O)NOc1ccc(OCCF)cc1CN1CCC(Cc2ccc3ccccc3c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.42914012
20077,CSOc1ccc(OCCN2CCC(COc3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6351984
20078,Cc1cc(OCCN(C)Cc2ccccc2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.14176029
20079,Cc1cc(OCCN2CCCC(COc3ccc4c(c3)CCC(=O)N4)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2953646
20080,Cc1cc(OCCNC(=O)c2cccc(C(C)C)c2)ccc1ON1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.0969197
20081,Cc1cc(OCCNCc2cccc3ccccc23)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.15420309
20082,Cc1cccc2c1CN1CCc3cc(C=NO)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.551832
20083,ClC1CCN(CCN2CCN(c3ccccc3-c3ccc(Oc4cccnc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74921536
20084,ClC1CCN(CCN2CCN(c3ccccc3-c3nccc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8415283
20085,Clc1cccc(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.849889
20086,O=C(NOCc1ccccc1)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4553002
20087,O=C(c1ccccc1)C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8005323
20088,O=c1[nH]c2ccccc2cc1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.638338
20089,O=c1oc2ccccc2n1Cc1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.654846
20090,Oc1cc2c(cc1-c1ccco1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6789678
20091,Oc1cccc(CC2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.842496
20092,CC(=O)OCCOc1ccc(OCN2CCC(Cc3ccc(F)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30505878
20093,CC(=O)c1ccccc1N1CCN(CCN2CCC(Nc3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.60608417
20094,CC=Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6375287
20095,CCCOc1ccc(OC(=O)Nc2ccc(F)cc2)c(OCc2ccc(NC=O)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.027068457
20096,CCCOc1ccc(ON)c(CN2CCC(c3ccccc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.54860586
20097,CCCOc1ccc(ONS(C)(=O)=O)c(CN2CCC(c3ccc(CCC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.49328968
20098,CCCOc1ccc(OOC)c(N2CCCN(c3cccc(C(F)(F)F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33651593
20099,CCCOc1cccc2c1CN1CCc3cc(-c4ccccc4)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70083207
20100,CCOc1cc2c(cc1OC)C1Cc3cccc(C#Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76892614
20101,CCOc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccccn4)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8217676
20102,CCOc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8655162
20103,CCc1ccccc1OC1CCN(c2cc(OCCS(C)(=O)=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2930642
20104,CNOc1ccc(OCCN2CCC(CCc3ccccc3OC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5741255
20105,COC(=O)c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1cccc([N+](=O)[O-])c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.21377385
20106,COC1CCN(CCN2CCN(c3ccccc3Oc3ccccc3C#N)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8843106
20107,COCCCN1CCN(Cc2cccc(Sc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64085007
20108,CON1CCN(CCNC(=O)c2ccc(-c3cccc(C)c3C)c(O)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.28019458
20109,COOc1ccc(OCCNCCc2ccco2)cc1-c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.1363591
20110,COc1cc(-c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)ccc1C,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.626653
20111,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccccc1[N+](N)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2980965
20112,COc1cc2c(cc1C(=O)Nc1cc(Cl)ccc1Cl)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38354707
20113,COc1cc2c(cc1CCCc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72344327
20114,COc1cc2c(cc1O)C1Cc3cccc(Oc4cccc(C(C)C)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7321447
20115,COc1cc2c(cc1OC(=O)Nc1ccc(C)cc1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.2681613
20116,COc1ccc(-c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)c(OC)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8082111
20117,COc1ccc(OCCC(=O)COc2ccc(CF)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.032307208
20118,COc1ccc(OCCCCF)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8215449
20119,COc1ccc(OCCF)cc1C(=O)Nc1cccc(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.037151318
20120,COc1ccc(OCCN=S(C)(=O)O)cc1Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.060939644
20121,COc1ccc(OCCNC=O)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.08706666
20122,COc1ccc(OCCNCc2ccccc2)cc1S(C)(=O)=NO,[*]CCOc1ccc(O[*])c([*])c1,0.27864856
20123,COc1ccc(OCCOCCc2ccc3c(c2)CC(=O)CC3)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.17125544
20124,COc1ccc(OCCS(N)(=O)=O)cc1CN1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5538095
20125,COc1cccc(CN2CCN(CCCC3Cc4ccccc4C(=O)C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6472318
20126,COc1cccc2c1CN1CCc3cc(C=Nc4c(Cl)cccc4Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5293108
20127,COc1cccc2c1CN1CCc3cc(Cl)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.711007
20128,COc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccccc4)o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8128276
20129,CSC1CCN(CCN2CCN(c3ccccc3Oc3ccc4nc(O)ccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7846346
20130,CSCN1CCN(Oc2ccc(OCCNC(=O)c3ccc(F)cc3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.17651376
20131,Cc1cc(OCCCS(=O)(=O)c2cccc(F)c2)ccc1ON1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.18998009
20132,Cc1cc(OCCN2CCN(Cc3ccco3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.33895767
20133,Cc1cc(OCCN=S(C)(=O)O)ccc1ONC(C)Cc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.044191886
20134,Cc1cc(OCCNCc2cccs2)ccc1OC(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06813199
20135,Cc1cc(OCCOS(C)(=O)=O)ccc1ON1CCC(Cc2ccc3c(c2)NC(=O)CCC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.28754902
20136,ClCCCN1CCN(Cc2cccc(N3CCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6553579
20137,Clc1cccc(CN2CCN(CCCCNC3CCCCC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57274204
20138,O=C1NCc2cccc(-c3cccc(CN4CCN(CCCCl)CC4)c3)c21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7250563
20139,O=S(=O)(c1cccc(CN2CCN(CCCc3ccccc3)CC2)c1)C(F)(F)F,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6216734
20140,O=[SH]([O-])(c1ccccc1)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6108852
20141,OC1CCN(CCN2CCN(c3ccccc3-c3cc4ccccc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7217904
20142,Oc1ccc2cc(OCC3CCN(CCN4CCN(c5ccccc5Cl)CC4)CC3)ccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73926055
20143,Oc1cccc(C2CCN(CCN3CCN(c4ccccc4O)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.785414
20144,Oc1cccc2c1CN1CCc3cc(-c4cccc(OC(F)(F)F)c4)c(Br)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5534031
20145,Oc1ccccc1N1CCN(CCN2CCC(c3cnc4ccc(Cl)cc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6429939
20146,C#Cc1cc2c(cc1Cl)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7246616
20147,C=Cc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7801073
20148,CC(=O)NOc1ccc(OCCNCc2ccc(C(F)(F)F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.05642564
20149,CC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.38076767
20150,CC=S(O)(O)=Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65032256
20151,CCC(C)(C)c1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8236597
20152,CCCOc1ccc(OCS(N)(=O)=O)c(CC2CC(=O)c3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17884018
20153,CCCOc1ccc(OF)c(CN2CCC(Oc3ccc(C)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40033442
20154,CCCOc1ccc(ONC)c(N2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40046462
20155,CCCOc1ccc(OS(C)(=O)=O)c(NCc2ccc(OCC(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.049916163
20156,CCCOc1ccc(OS(N)(=O)=O)c(N2CCCC(c3ccc(Cl)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27446443
20157,COC1CCN(CCN2CCN(c3ccccc3-n3cc4ccccc4c3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70925325
20158,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccncc3-c3ccc(O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.42783752
20159,COCCCN1CCN(Cc2cccc(CNC(=O)C=Cc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5978532
20160,COCCOc1ccc(OCCCF)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8088367
20161,COCCOc1ccc(OF)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.78209054
20162,COc1cc2c(cc1Cc1ccc(F)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66891074
20163,COc1cc2c(cc1OC)C1Cc3cccc(C=Nc4cccc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7204067
20164,COc1cc2c(cc1OC)C1Cc3cccc(OCc4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65681887
20165,COc1ccc(-c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)nc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7565882
20166,COc1ccc(C(=O)NCCN2CCN(O)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27118862
20167,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1cccc2c1CCO2,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2795804
20168,COc1ccc(F)cc1SCCCCOc1ccc(OS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.084005006
20169,COc1ccc(OCCC(=N)O)cc1C(O)CCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.2171853
20170,COc1ccc(OCCCCC(=O)c2cc3ccccc3s2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.07584141
20171,COc1ccc(OCCCCN2CCC(c3ccccc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.8173624
20172,COc1ccc(OCCCN=O)cc1CCNc1ccccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.09799909
20173,COc1ccc(OCCCO)cc1N1CCN(c2ccccc2OCCF)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.36747494
20174,COc1ccc(OCCF)cc1CNCC1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.10093806
20175,COc1ccc(OCCF)cc1NC1CCN(S(C)(=O)=O)c2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.3339944
20176,COc1ccc(OCCN2CCC(C(=O)N3CCCCC3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.26940912
20177,COc1ccc(OCCN2CCC(O)(c3ccc(C=O)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.4202186
20178,COc1ccc(OCCN2CCC(Oc3ccccc3CCF)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.75162137
20179,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(Oc2ccc3ccccc3c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19050756
20180,COc1ccc(OCCNCCc2ccc3c(c2)OCCC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.25216913
20181,COc1ccc(OCCNS(C)(=O)=O)cc1CS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06596794
20182,COc1ccc(OCCS(C)(=O)=O)cc1NCc1ccc(OCC(F)(F)F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.053724423
20183,COc1cccc(CC2CC=CN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2145698
20184,COc1cccc(CN2CCN(CCCC=Cc3cccc(-c4ccccc4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6671517
20185,COc1cccc(CN2CCN(CCCCC3=CC=C=C=C3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67065334
20186,COc1cccc(CN2CCN(CCCCNC(=O)c3ccco3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5108088
20187,COc1ccccc1C1CCC(NCCOc2ccc(ON=S(C)(=O)O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.14763948
20188,COc1ccccc1CNCc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55341464
20189,COc1ccccc1N1CCN(CCN2CCC(c3ccc4c(O)cccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78846526
20190,Cc1cc(OCCC(O)CCc2ccc(F)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.03776331
20191,Cc1cc(OCCN2CCC(CCc3ccccc3)CC2)ccc1ON=S(=O)(O)O,[*]CCOc1ccc(O[*])c([*])c1,0.51429886
20192,Cc1cc(OCCN2CCN(C)CC2)ccc1Oc1cccs1,[*]CCOc1ccc(O[*])c([*])c1,0.541268
20193,Cc1cc(OCCNC(=O)COc2ccccc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.011977352
20194,Cc1cc(OCCNS(C)(=O)=O)ccc1OCCOc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.10084545
20195,O=C(NC1CCN(CCN2CCN(c3ccccc3OC(F)(F)F)CC2)CC1)c1ccccc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8525486
20196,O=[N+]([O-])c1cccc(CN2CCN(CCCCc3cccc(-c4ccccc4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5971419
20197,O=[N+]([O-])c1ccccc1N1CCN(CCN2CCC(c3ncc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5429004
20198,O=c1c(CCCN2CCN(Cc3cccc(Cl)c3)CC2)coc2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65008754
20199,ON=C(CCCCN1CCN(Cc2cccc(Cl)c2)CC1)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.75507915
20200,Oc1cccc2c1CCC(c1cccc(CN3CCN(CCCc4ccccc4)CC3)c1)O2,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69952124
20201,Oc1cccc2c1CN1CCc3cc(NCc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5780216
20202,CCCOc1ccc(OCNS(C)(=O)=O)c(N2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25094524
20203,CCCOc1ccc(OF)c(N2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3063827
20204,CCCOc1ccc(ONC)c(N2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36682823
20205,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3nc4ccccc4o3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2550465
20206,CCCOc1ccc(OSC)c(C(=O)COc2ccc3c(c2)N(CC)C(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2435659
20207,CCOC(=O)Oc1ccc(OCCN2CCCC(c3ccccc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.32350907
20208,CNCCOc1ccc(OC)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.090605654
20209,CNS(=O)(=O)Oc1ccc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.4286596
20210,COC(=O)Nc1ccc(CC(=O)Nc2cc(OCCSC)ccc2OC)c(Cl)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0072363415
20211,COC(=O)c1cc2c(cc1OC)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5050967
20212,COC(=O)c1cccc(C2CCN(CCCOc3ccc(OC)c(OC)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6405083
20213,COC1CCN(CCN2CCN(c3ccccc3-c3nnc(-c4ccccc4)n3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7097676
20214,COC1CCN(CCN2CCN(c3ccccc3C3CCCc4cc(O)ccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8290889
20215,COC1CCN(CCN2CCN(c3ccccc3Cc3cc4ccccc4nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7561309
20216,COCCCN1CCN(Cc2cccc(-n3c(-c4ccccc4)cccc3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58167386
20217,COCCCN1CCN(Cc2cccc(N3C(=O)CCc4ccc(O)cc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.632053
20218,COCCOc1ccc(OC)c(N2CCc3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39129543
20219,COCCOc1ccc(OCCCn2cccc2C)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13993654
20220,CON=COc1ccc(OCCc2ccc(F)cc2)cc1CCNc1ccccn1,[*]CCOc1ccc(O[*])c([*])c1,0.080897436
20221,COc1cc2c(cc1-c1cccc(C)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7077225
20222,COc1cc2c(cc1-c1ccccc1)C1Cc3cccc(CC#N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74416065
20223,COc1cc2c(cc1Cc1ccc3[nH]ccc3c1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53728634
20224,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc([N+](C)[O-])cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5937853
20225,COc1cc2c(cc1O)C1Cc3cccc(N4CCCCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4484573
20226,COc1cc2c(cc1OC)C1Cc3cccc(NC(=O)Oc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3345127
20227,COc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1ccccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26113296
20228,COc1ccc(OCCCN(C)S(C)(=O)=O)cc1NS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07906948
20229,COc1ccc(OCCF)cc1S(=O)(=O)NCc1cccc(C(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.020619884
20230,COc1ccc(OCCN2CCC(c3ccc(OC4CCCC4)c(CC(F)(F)F)c3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.59293723
20231,COc1ccc(OCCN=S(C)(=O)O)cc1OC(C)Cc1ccc2c(c1)NCC(=O)C2,[*]CCOc1ccc(O[*])c([*])c1,0.16925183
20232,COc1ccc(OCCNCCc2ccc(F)cc2)cc1NS(=O)(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.19287264
20233,COc1ccc(OCCS(C)(=O)=O)cc1C1CCC(CN2CCC(Cc3ccc(F)cc3)CC2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.47825864
20234,COc1cccc(C(=O)Nc2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4871778
20235,COc1cccc(CN2CCN(CCCC3CC3c3ccoc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51479685
20236,COc1cccc(CN2CCN(CCCn3c(=O)ccc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6377345
20237,COc1ccccc1N1CCN(CCN2CCC(Nc3nccc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8190403
20238,COc1ccccc1N1CCN(CCN2CCC(n3cc4ccc(F)cc4c3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8137414
20239,CSOc1ccc(OCCN2CCCC(Cc3ccc(OC(F)(F)F)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.44763666
20240,Cc1cc(OCCC(=O)COc2ccc3c(c2)NC(=O)CC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.13761394
20241,Cc1cc(OCCN2CCC(c3ccccc3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.651282
20242,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(COc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.148897
20243,Cc1cc(OCCNC(=O)COc2cccc(NS(C)(=O)=O)c2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.00587323
20244,Cc1cc(OCCNCC2C(=O)CCc3ccc(CC(=O)O)cc32)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.11345895
20245,Cc1cc(OCCNCCCc2ccc(F)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.20020768
20246,Cc1cc(OCCOS(C)(=O)=O)ccc1ON1CCC(Cc2ccc(OC3CCCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.14777103
20247,Cc1cccc(-c2cc(C(=O)NCCN3CCN(O)CC3)ccc2C)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26308176
20248,Cc1ccccc1-c1cc(C(=O)NCCN2CCN([N+](=O)[O-])CC2)ccc1Br,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.23640868
20249,Cc1ccccc1N1CCN(CCN2CCC(C(=O)NCc3ccc(C#N)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5811649
20250,ClCCCN1CCN(Cc2cccc(-c3ccc(-c4ccccn4)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6115217
20251,ClCCCN1CCN(Cc2cccc(NCc3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48362732
20252,O=C1NCCc2cccc(-c3cccc(CN4CCN(CCCCl)CC4)c3)c21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7146623
20253,Oc1cc2c(cc1Sc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7475422
20254,Oc1cccc2c1CN1CCc3cc(N4CCC(O)C4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6042161
20255,C#Cc1cccc2c1CN1CCc3cc(OCc4ccc(OC)cc4)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7412025
20256,C=CC1C=CN(CCCOc2ccc(OC)c(F)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4022449
20257,CC(=O)NOc1ccc(OCCOC(=O)CCc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.085103855
20258,CC(=O)c1ccc(C(=O)C2CCCN(Oc3ccc(OCCF)cc3C)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.10490636
20259,CC1CCN(CCN2CCN(c3ccccc3-n3c(O)cc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7054266
20260,CCCC(=O)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3120797
20261,CCCOc1ccc(OCN2CCN(c3ccccc3Cl)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7186277
20262,CCCOc1ccc(OF)c(N2CCC(NS(=O)(=O)c3cccc(C(C)C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27509192
20263,CCCOc1ccc(ON=S(C)(=O)O)c(CN2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.42027813
20264,CCCOc1ccc(ONS(C)(=O)=O)c(NC(=O)COc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.011273524
20265,CCCOc1ccc(OS(C)(=O)=O)c(N2CNC(=O)C23CCCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10324882
20266,CCCOc1ccc(OS(N)(=O)=O)c(NC(=O)Cc2ccc(OC3CCNCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0587077
20267,CCOC(=O)N1CCN(CCCOc2ccc(OC)c(F)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.32203472
20268,CCc1ccc(-c2cccc3c2CN2CCc4cc(Cl)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6296109
20269,CCc1ccc(Oc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7939569
20270,CCc1cccc2c1CN1CCc3cc(Cl)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6995245
20271,CNS(=O)(=O)Oc1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.4946203
20272,COC1CCN(CCN2CCN(c3ccccc3Nc3cc(-c4ccccc4)ccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5059424
20273,COCCOc1ccc(OC)c(N2CCN(c3ccccc3OC(C)C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.42793643
20274,COc1cc(C(=O)NCCN2CCN(C)CC2)ccc1-c1cccc(C)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.20943281
20275,COc1cc2c(cc1CNc1ccccc1OC)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5125142
20276,COc1cc2c(cc1O)C1Cc3cccc(Oc4ccc(C=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71984833
20277,COc1cc2c(cc1OC)C1Cc3cccc(C(C)c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7300389
20278,COc1cc2c(cc1OC)C1Cc3cccc(OCCN)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8180326
20279,COc1ccc(OCCCCNC(=O)c2cccc(C(F)(F)F)c2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.053453017
20280,COc1ccc(OCCN2CCC(NC(=O)c3ccccc3C)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.5232052
20281,COc1ccc(OCCN2CCC(Oc3ccc4c(c3)NC(=O)CCC4)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6558917
20282,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.031170277
20283,COc1ccc(OCCNCCc2ccc3c(c2)CC(=O)CC3)cc1SC(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.12028554
20284,COc1ccc(OCCOCCF)cc1CN1CCCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.71854836
20285,COc1cccc(-c2ccc(C(=O)NCCN3CCN(OC)CC3)cc2O)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33822605
20286,COc1cccc2c1CN1CCc3cc(-c4cccc(C#N)c4)c(C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6087505
20287,COc1ccccc1-c1ccc(C(=O)NCCN2CCN([N+]([O-])[O-])CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27530682
20288,COc1ccccc1N1CCN(CCN2CCC(C(O)c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84084845
20289,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc4ncccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7949392
20290,CSCc1cccc2c1CCC(=O)C2NCCOc1ccc(ON)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1479098
20291,CSOc1ccc(OCCCN2CCC(c3cccc(NC(C)=O)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.68704903
20292,CSOc1ccc(OCCNC(=O)COc2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.023833256
20293,Cc1cc(OCCCCCc2ccc3c(c2)NC(=O)CC3)ccc1ON=S(=O)(O)O,[*]CCOc1ccc(O[*])c([*])c1,0.14584467
20294,Cc1cc(OCCF)ccc1ON1CCN(C(C)c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2531887
20295,Cc1cc(OCCF)ccc1ON=S(C)(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.058604542
20296,Cc1cc(OCCN2CCN(Cc3ccc(C(C)(C)C)cc3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4569173
20297,Cc1cc(OCCN2CCN(Cc3ccccc3)CC2)ccc1OC=O,[*]CCOc1ccc(O[*])c([*])c1,0.5188286
20298,Cc1cc(OCCNC(=O)COc2ccc3c(c2)NC(=O)CC3)ccc1ON1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.050934445
20299,Cc1cc(OCCNCCCC2=CC(=O)NC3=C(C=C2)CCC3)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.25107443
20300,Cc1cc(OCCNS(=O)(=O)Cc2ccc(F)cc2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09511977
20301,Cc1cc(OCCNS(C)(=O)=O)ccc1OCN1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.32281542
20302,Cc1cc(OCCSCCc2ccc3c(c2)NC(=O)CC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.17547497
20303,Cc1ccccc1N1CCN(CCN2CCC(C(=O)c3cc4ccccc4nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.56116444
20304,Clc1cccc(CN2CCN(CCCCNc3ccc4ccccc4n3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7335703
20305,N#Cc1ccc(Cc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76885766
20306,O=c1[nH]c2ccc(-c3cccc(CN4CCN(CCCCl)CC4)c3)cc2[nH]c1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6445229
20307,Oc1ccc(-c2ccccc2)n1C1CCN(CCN2CCN(c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.56378764
20308,Oc1ccccc1N1CCN(CCN2CCC(O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72639877
20309,CC(C)C(=O)NC1CCC(CCCN2CCN(Cc3cccc(Cl)c3)CC2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5171042
20310,CC(C)Oc1ccccc1N1CCN(CCN2CCC(NC(=O)Nc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72468686
20311,CCCCN1CCN(Cc2cccc(N3C(=O)Cc4ccccc4S3(=O)=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60049874
20312,CCCOc1ccc(OC(N)=O)c(CN2CCN(c3ccccc3OCCF)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.64785427
20313,CCCOc1ccc(OF)c(CN2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7748845
20314,CCCOc1ccc(ONC(C)=O)c(N2CCC(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2445206
20315,CCCOc1ccc(OOC)c(N2CCN(c3ccc(C)nc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22241174
20316,CCCOc1ccc(OS(=O)(=O)O)c(Cc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06758607
20317,CCCOc1ccc(OS(C)(=O)=O)c(C2Cc3ccccc3N(CCC)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31592318
20318,CCCOc1ccc(OS(C)(=O)=O)c(CCNC2CCc3c(F)cccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7038484
20319,CCOC(=O)Nc1cc(OCCC(=O)CCc2ccc3c(c2)CC(=O)CC3)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.06860032
20320,CCOC1CCN(CCN2CCN(c3ccccc3-n3c(O)nc4cc(O)ccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69540566
20321,COC(=O)c1cccc2c1CN1CCc3cc(O)c(C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42036492
20322,COC1CCN(CCN2CCN(c3ccccc3COc3cccc4cccnc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74457556
20323,COCCCN1CCN(Cc2cccc(CNC(=O)c3ccc4c(c3)-c3ccccc3C4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5165828
20324,COCCOc1ccc(OC)c(CNC(=O)c2cccc(N3CCN(C)CC3)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2560125
20325,COCCOc1ccc(OCN2CCN(c3ccc(F)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5089249
20326,COCCOc1ccc(ON(C)CCc2ccccc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18287261
20327,COCc1cccc2c1CN1CCc3cc(-c4cccs4)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7758971
20328,COc1cc2c(cc1C(=O)O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6150461
20329,COc1cc2c(cc1C)CCN1Cc3c(C#Cc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7407812
20330,COc1cc2c(cc1CCC1CCCN1Cc1cc(OCCS(C)(=O)=O)ccc1OC)CCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.44174367
20331,COc1cc2c(cc1O)CCN1Cc3c(cccc3Oc3ccccc3C(C)(C)C)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7464138
20332,COc1cc2c(cc1OC)C1Cc3cccc([N+](=O)OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69258606
20333,COc1ccc(C(=O)NCCN2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.6207757
20334,COc1ccc(OCCCF)cc1CN1CC(C)(c2ccc(Cl)cc2)CC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.16071102
20335,COc1ccc(OCCF)cc1NC(=O)Cc1ccc2c(c1)N(S(C)(=O)=O)C(C)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.08648632
20336,COc1ccc(OCCN(C)CCc2ccc3c(c2)CCCC3)cc1C(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06978849
20337,COc1ccc(OCCN2CCC(c3ccccc3OC3CC3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.67856526
20338,COc1ccc(OCCN2CCCCC(c3ccccc3)C2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.5422865
20339,COc1ccc(OCCN=S(C)(=O)O)cc1NC(C)COc1ccc2c(c1)CCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.1601689
20340,COc1cccc(CN2CCN(CCCc3cc4ccccc4nc3O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6165806
20341,COc1cccc(Oc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.779374
20342,COc1cccc2c1CN1CCc3cc(C)c(SC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6701512
20343,COc1ccccc1C(=O)NCCOc1ccc(ONS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03028446
20344,COc1ccccc1N1CCN(CCN2CCC(C(=O)NC(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8133503
20345,COc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccc(F)cc4)cc(F)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79492015
20346,CS(=O)(=O)Oc1cccc(CN2CCN(CCCC(=O)c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.50272095
20347,Cc1cc(OCCCN2CCC(Cc3ccc4c(c3)NC(=O)CCS4)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5656082
20348,Cc1cc(OCCN2CCC(CCc3ccc4c(c3)NC(=O)CC4)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.65316683
20349,Cc1cc(OCCNCCc2ccc3c(c2)NC(=O)CC3)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.17624669
20350,Cc1cc(OCCNS(=O)(=O)c2ccc(C(C)C)cc2)ccc1ON1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.08172964
20351,Cc1cc(OCCS(C)(=O)=O)ccc1ONCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.05849615
20352,Cc1cc2c(cc1NC(=O)COc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.22176084
20353,Cc1ccc(C2CCN(Oc3ccc(OCCNS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.24287832
20354,Cc1nc(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)sc1C(N)=O,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.60029507
20355,FC(F)(F)OCCCN1CCN(Cc2cccc(-c3ccccn3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6557667
20356,N#Cc1ccc(C(=O)c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73394275
20357,N#Cc1cccc(COc2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6437871
20358,Oc1cc(CCCN2CCN(Cc3cccc(Cl)c3)CC2)c2ccccc2n1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7277555
20359,Oc1cc2c(cc1Cc1ccccc1)CCN1Cc3c(cccc3Oc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73351574
20360,Oc1cccc2c1CN1CCc3cc(N4CCCC4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59415317
20361,Oc1cccn1Cc1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5935776
20362,C=Cc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65232235
20363,CC(=O)NCCOc1ccc(OC(C)COc2ccccc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0209463
20364,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3ccc(C#N)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80847496
20365,CCCCn1cc(CCOc2ccc(OC)c(SC)c2)c2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.15032084
20366,CCCOc1ccc(ON2CCN(c3cccc(Cl)c3Cl)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.44746053
20367,CCCOc1ccc(ONS(C)(=O)=O)c(CCCc2ccc3c(c2)CNC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21854609
20368,CCCOc1ccc(OSC)c(N2CCCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28317147
20369,CCOc1ccccc1N1CCN(Cc2cc(OCCC(N)=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.69450563
20370,CNS(=O)(=O)Oc1ccc(OCCN2CCCC(Cc3ccc(F)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.3396941
20371,COC(=O)CCOc1ccc(OC)c(NCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.022397902
20372,COC1CCN(CCN2CCN(c3ccccc3-c3cc(-c4ccc(F)cc4)cnc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72719866
20373,COCCCN1CCN(Cc2cccc(C(=O)N=CC3Cc4ccccc4C(=O)N3c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54853296
20374,COCCOc1ccc(OCC2CCN(c3ccccc3OC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34957266
20375,COCCOc1ccc(OOC(=O)COc2ccccc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.040940117
20376,COc1cc2c(cc1O)C1Cc3cccc(C(C)=Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7440605
20377,COc1ccc(C(=O)NCCN2CCN(O)CC2)cc1-c1cccc(C)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2396847
20378,COc1ccc(C(=O)NCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.922557
20379,COc1ccc(F)cc1CCOc1ccc(ON2CCN(C)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.42130437
20380,COc1ccc(OCCCCSc2ccc(F)cc2)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.051326793
20381,COc1ccc(OCCF)cc1CNCc1cccc(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.092249416
20382,COc1ccc(OCCN(C)C)cc1CN1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7060377
20383,COc1ccc(OCCN2CCC(C(=O)c3ccccc3F)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5652595
20384,COc1ccc(OCCNS(C)(=O)=O)cc1C(C)Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.085938625
20385,COc1ccc(OCCNS(C)(=O)=O)cc1CN1CCCC(C)C1,[*]CCOc1ccc(O[*])c([*])c1,0.31110895
20386,COc1ccc(OCCS(C)(=O)=O)cc1-c1ccc(C)c(C2CCNCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12322293
20387,COc1ccc(OCCS(N)(=O)=O)cc1C(C)COc1ccc(C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.038790237
20388,COc1cccc(-c2ccccc2N2CCN(CCN3CCC(O)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7681466
20389,COc1cccc(CN2CCN(CCCc3coc(-c4ccco4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5676812
20390,COc1cccc2c1CN1CCc3cc(COC4CCCCC4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6680566
20391,COc1ccccc1Cc1cccc2c1CN1CCc3cc(OC)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6979378
20392,CS(=O)(=O)C1CCN(CCN2CCN(c3ccccc3-c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7598398
20393,CSc1ccc(OC2CCN(COc3ccc(OCCNS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.26000834
20394,Cc1cc(OCCN2CCC(Cc3cccs3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.58074
20395,Cc1cc(OCCNC=O)ccc1ON1CCCC(c2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.24812765
20396,Cc1cc(OCCNCCCC2Cc3ccccc3CC2O)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.35970718
20397,Cc1ccccc1N1CCN(CCN2CCC(Oc3cccc4nc(O)ccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6961913
20398,Cc1csc(C2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71031564
20399,Fc1ccc(F)c(NC2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7411341
20400,N#CCNc1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46812224
20401,O=C(CCCCN1CCN(Cc2cccc(Cl)c2)CC1)c1cc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7374427
20402,O=C(CCCN1CCN(Cc2cccc(-c3ccccc3)c2)CC1)c1cc2ccccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68084276
20403,O=C(NC1CCN(CCN2CCN(c3ccccc3O)CC2)CC1)c1ccc(Br)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7603693
20404,O=C(NCc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1cccc2ccc(O)cc12,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7101464
20405,O=C1C(=O)N(c2cccc(CN3CCN(CCCO)CC3)c2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5925936
20406,O=C1C=C(CCCN2CCN(Cc3cccc(Cl)c3)CC2)C(=O)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.577963
20407,O=C1CCCN1c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4338937
20408,O=C1COc2ccc(C3CCN(CCN4CCN(c5ccccc5F)CC4)CC3)cc2N1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6660719
20409,O=C1COc2ccccc2N1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6599746
20410,O=S(=O)(c1ccc(F)cc1)c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4561213
20411,O=[N+]([O-])c1cccc(CN2CCN(CCCc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5781876
20412,O=[N+]([O-])c1ccccc1N1CCN(CCN2CCC(n3ccc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.51208466
20413,Oc1nc2ccc(CCCN3CCN(Cc4cccc(Cl)c4)CC3)cc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.680966
20414,C=CC1Cc2ccccc2N1Cc1cccc(CN2CCN(CCCOC)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6687836
20415,CC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80861384
20416,CCC(=O)Nc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.324374
20417,CCCOc1ccc(OC(N)=O)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.59789073
20418,CCCOc1ccc(OC=O)c(CN2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.580687
20419,CCCOc1ccc(ON2CCN(CC(=O)NC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.099774316
20420,CCCOc1ccc(ON2CCN(Cc3ccc(F)cc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5426355
20421,CCCOc1ccc(ON2CCN(Cc3ccccc3)CC2)c(SC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.60215014
20422,CCOc1cc2c(cc1OC)CCC(CNc1cc(OCCN=S(C)(=O)O)ccc1OC)C2,[*]CCOc1ccc(O[*])c([*])c1,0.23914514
20423,CCOc1cc2c(cc1OC)CCN1Cc3c(cccc3-c3ccc(C#N)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5973253
20424,CCc1ccc(C(=O)NCCOc2ccc(ONS(C)(=O)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.017779147
20425,CN(C)COc1ccc(OCCF)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09875211
20426,COC1CCN(CCN2CCN(c3ccccc3-c3ccc4nc(O)[nH]c4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.727707
20427,COC1CCN(CCN2CCN(c3ccccc3-n3c(O)nc4c(F)cccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74556154
20428,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccc(C#N)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.43799448
20429,COCc1cc2c(cc1OC)C1Cc3cccc(C(C)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4955314
20430,COc1cc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)ccc1C(N)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.91754276
20431,COc1cc2c(cc1C)CCN1Cc3c(CNc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47116777
20432,COc1cc2c(cc1F)CCN1Cc3c(Cc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7321243
20433,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc5ccc(C#N)cc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58450985
20434,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)NC(C)(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4546874
20435,COc1ccc(C(=O)NCCN2CCN(O)CC2)cc1-c1ccccc1[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3448627
20436,COc1ccc(OCCCC(=O)c2ccc(SC)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.059555463
20437,COc1ccc(OCCCOCCc2ccc(F)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.1528068
20438,COc1ccc(OCCN2CCC(C(=O)c3ccc(SC)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.44606233
20439,COc1ccc(OCCN2CCCC(Cc3ccccc3)C2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.5711322
20440,COc1ccc(OCCNC(=O)Cc2cccnc2)cc1CN1CCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.38323343
20441,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCCCC1COc1ccc2c(c1)CCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.35657483
20442,COc1ccc(OCCS(C)(=O)=O)cc1CCCc1ccc(C2CCNCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.17723548
20443,COc1ccc(OCCSC)cc1NC(=O)COc1ccc(C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.006528777
20444,COc1ccc(OCCc2ccc(CS(C)(=O)=O)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.083098345
20445,COc1cccc(CCNCCOc2ccc(ONS(=O)(=O)O)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10307715
20446,COc1cccc(CN2CCN(CCCN3OCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6808133
20447,COc1cccc(CN2CCN(CCCn3c(=O)ccc4ccccc4c3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49167314
20448,COc1cccc2c1CN1CCc3cc(C(C)Oc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6810761
20449,COc1cccc2c1CN1CCc3cc(COCc4ccccc4)c(CO)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57432693
20450,COc1cccc2c1CN1CCc3cc(NC(=O)OCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.33571038
20451,COc1ccccc1-c1cc(C(=O)NCCN2CCN(C#N)CC2)ccc1F,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.37836254
20452,COc1ccccc1N1CCN(CCN2CCC(CNC(=O)Nc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5965897
20453,COc1ccccc1N1CCN(CCN2CCC(Nc3c(O)nc4ccccc4c3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6773873
20454,COc1ccccc1N1CCN(CCN2CCC(c3ccc(Oc4ccccc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74946094
20455,CSOc1ccc(OCCCN2CCC(Cc3ccc4ccccc4c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6204358
20456,Cc1cc(OCCC(O)CCc2ccc3ccccc3c2)ccc1ON1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29679993
20457,Cc1cc(OCCN2CCCC(COc3ccc4c(c3)NC(=O)CC4)C2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.45124668
20458,Cc1cc(OCCN2CCCC(Cc3ccc(F)cc3)C2)ccc1ON=S(=O)(O)O,[*]CCOc1ccc(O[*])c([*])c1,0.3663002
20459,Cc1cc(OCCN2CCN(C(=O)c3ccccc3)CC2)ccc1OF,[*]CCOc1ccc(O[*])c([*])c1,0.1985236
20460,Cc1cc(OCCN2CCN(Cc3cccc4c3NC(=O)CC4)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.45708135
20461,Cc1cc(OCCN=S(C)(=O)O)ccc1ONCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.12660168
20462,Cc1cc(OCCNS(=O)(=O)c2cccc(F)c2)ccc1ON1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.15823048
20463,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCC(CCc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20429705
20464,Clc1ccccc1N1CCN(CCN2CCC(n3nc(-c4ccccc4)o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8351885
20465,N#Cc1ccccc1N1CCN(CCN2CCC(n3c(O)cnc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7780064
20466,O=C(NCCN1CCN(Cl)CC1)c1ccc(F)c(-c2cccs2)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3938431
20467,O=S1(=O)Cc2ccccc2N1c1cccc(CN2CCN(CCCc3ccc(Cl)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7337715
20468,O=c1ccc2cc(Oc3cccc(CN4CCN(CCCC(F)(F)F)CC4)c3)ccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5620969
20469,Oc1cccc(C2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8293474
20470,CC(C)c1ccccc1N1CCN(CCN2CCC(c3ccc(C(F)(F)F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.61047363
20471,CC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccccc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76364774
20472,CC=Cc1ccc(C(=O)NCCCOc2ccc(OC)c(OC)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.040129323
20473,CCCOc1ccc(OC)c(NC(=O)Oc2ccc3c(c2)CC(SCCC)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2736417
20474,CCCOc1ccc(ON(C)C)c(N2CCN(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30736595
20475,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(Oc3ccc(SC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15315953
20476,CCCOc1ccc(OOC(C)=O)c(N2CCCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17260522
20477,CCCOc1ccc(OS(C)(=O)=O)c(-c2cc(CCF)ccc2F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.093603775
20478,CCOC(=O)Nc1cccc(Cc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.27041712
20479,CCOc1ccccc1N1CCN(CCN2CCC(c3cc(C(F)(F)F)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82293284
20480,CCOc1ccccc1N1CCN(CCN2CCC(n3ccc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77404654
20481,CNC(=O)Cc1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34522408
20482,COC(=O)CCCN1CCN(Cc2cccc(CNC(=O)c3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.45208162
20483,COC1CCN(CCN2CCN(c3ccccc3-c3ccc4c(c3)OCC(=O)N4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64541566
20484,COCCCN1CCN(Cc2cccc(CNC(=O)C3CCCc4ccccc4C3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62502
20485,COCCOc1ccc(OCN2CCC(c3ccccc3OC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.45277634
20486,COCCOc1ccc(OCN2CCN(c3cccc(C(C)=O)c3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2942678
20487,CON1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(-c3cccc(C)c3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.22489645
20488,COS(=O)(=O)Oc1ccc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.59224695
20489,COc1cc2c(cc1Cc1ccc(Br)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74731183
20490,COc1cc2c(cc1Cc1ccccc1)CCN1Cc3c(cccc3-c3ccccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65094537
20491,COc1cc2c(cc1O)C1Cc3cccc(C(=O)c4ccc(CO)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.593278
20492,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)OC(C)C)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5661893
20493,COc1cc2c(cc1O)CCN1Cc3c(cccc3C3CN(C)CCO3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73264235
20494,COc1cc2c(cc1OC)C1Cc3cccc(C(O)Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62304276
20495,COc1cc2c(cc1OC)C1Cc3cccc(CSc4ccc(CO)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.591829
20496,COc1cc2c(cc1OCCF)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7692047
20497,COc1cc2c(cc1OCc1ccc3[nH]ccc3c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7423112
20498,COc1ccc(-c2cc(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)no2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7144043
20499,COc1ccc(-c2cc(C(=O)NCCN3CCN(OC)CC3)ccc2-c2ccccc2OC)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3781074
20500,COc1ccc(OCCC2CCN(S(=O)(=O)c3ccccc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.18065882
20501,COc1ccc(OCCC=O)cc1N1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3066478
20502,COc1ccc(OCCCS(=O)(=O)c2ccc(F)cc2)cc1C(=O)C1CCCCN1,[*]CCOc1ccc(O[*])c([*])c1,0.07585338
20503,COc1ccc(OCCF)cc1CN1CCC(c2ccccc2S(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.58386
20504,COc1ccc(OCCN=S(C)(=O)O)cc1C1CCCN(Cc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.32757032
20505,COc1ccc(OCCS(C)(=O)=O)cc1C(=O)Cc1ccc(OC2CCCCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.061274007
20506,COc1ccc(OCCS(N)(=O)=O)cc1C1CCN(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6183934
20507,COc1ccc(OCCSC)cc1N1CCCC(c2ccc(Cl)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.348313
20508,COc1ccccc1C(=O)NC1CCN(CCN2CCN(c3ccccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.89919114
20509,COc1ccccc1CC1CCCN(c2cc(OCCSC)ccc2OC)C1,[*]CCOc1ccc(O[*])c([*])c1,0.3799286
20510,COc1ccccc1NC(=O)Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34682614
20511,CSc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3ccc4cccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71111935
20512,Cc1cc(OCCC(O)CCc2ccc3c(c2)NC(=O)CC3)ccc1ON1CCN(C)CS1,[*]CCOc1ccc(O[*])c([*])c1,0.29837522
20513,Cc1cc(OCCCCCc2ccc3c(c2)NC(=O)CC3)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.22790833
20514,Cc1cc(OCCNC2CCN(Cc3ccccc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.44038835
20515,Cc1cccc2c1CN1CCc3cc([N+](=O)c4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50996196
20516,Cc1ccccc1N1CCN(CCN2CCC(Cc3ccncc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6486202
20517,Fc1ccc(-c2nccc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)n2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7933189
20518,Fc1ccc(Cc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76237327
20519,N#Cc1cccc(-c2cccc3c2CN2CCc4cc(Cl)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5729307
20520,O=C(NCc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2)c1ccc2[nH]ccc2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4053123
20521,O=C(Nc1cccc(Cl)c1Cl)Oc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3367909
20522,O=C(c1ccccc1)c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5112926
20523,CC(=O)NOc1ccc(OCCN2CCC(NS(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.47286925
20524,CC(C)Oc1ccccc1N1CCN(CCN2CCC(C(=O)NCc3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7061535
20525,CCCCCN1CCN(Cc2cccc(-n3c(=O)[nH]c4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6157825
20526,CCCOc1ccc(OC(=O)NC)c(NCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.039956488
20527,CCCOc1ccc(ON2CCN(c3ccccc3OC(C)C)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4266567
20528,CCCOc1ccc(ON2CCN(c3ccccc3OCC)CC2)c(C(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2444649
20529,CCCOc1ccc(ONS(C)(=O)=O)c(NC(=O)COc2ccc3c(c2)CCC(=O)N3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06957211
20530,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(OCC3CCCc4ccccc43)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.42277497
20531,CCCOc1ccc(OS(N)(=O)=O)c(CCSc2ccc(C(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07868056
20532,CCCOc1ccccc1N1CCN(c2cc(OCCOC)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.38226002
20533,CCOc1ccccc1N1CCN(Cc2cc(OCCc3ccc(F)cc3)ccc2OOC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.83132267
20534,CCc1ccc(Cc2cc3c(cc2OC)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.733805
20535,CNC(=O)c1cc(OCCN2CCC(c3ccc(F)cc3)CC2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.62065846
20536,COC(=O)c1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32927114
20537,COC(=O)c1ccc(COc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4941332
20538,COC1CCN(CCN2CCN(c3ccccc3-c3cccc(O)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81735533
20539,COCC1CCCCN1CCOc1ccc(OC)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25103852
20540,COCCCN1CCN(Cc2cccc(-n3cc(C)c(-c4ccccc4)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.585772
20541,COCCCN1CCN(Cc2cccc(C3(C)CC(=O)Nc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4784591
20542,COCCOc1ccc(OC)c(NC2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.447041
20543,COCCOc1ccc(ON2CCN(C(=O)c3ccccc3OC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07030563
20544,CONc1cc2c(cc1C)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57565695
20545,COOc1ccc(OCCNC(=O)Cc2ccc3c(c2)C(=O)CCC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.054161973
20546,COc1cc2c(cc1-c1ccc3c(CO)cccc3c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6146361
20547,COc1ccc(OCCC(CCc2ccc3c(c2)NC(=O)CC3)OC)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.24581374
20548,COc1ccc(OCCCN2CCC(Cc3ccc4c(c3)NC(=O)CCC4)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.51060176
20549,COc1ccc(OCCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.5810553
20550,COc1ccc(OCCN2CCC(OC(C)=O)CC2)cc1OS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.52938795
20551,COc1ccc(OCCN2CCCC(Cc3cccc4c3NC(=O)CC4)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.503016
20552,COc1ccc(OCCN2CCN(Cc3ccccc3)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.51257193
20553,COc1ccc(OCCNC(C)=O)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7046878
20554,COc1ccc(OCCNCCc2ccc(C(=O)N3CCCCC3)cc2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.053921994
20555,COc1cccc(-c2cc(C(=O)NCCN3CCN(OC)CC3)ccc2OC)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29173312
20556,COc1cccc2c1CCCC2(O)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49964845
20557,COc1cccc2c1CCN(c1cccc(CN3CCN(CCCF)CC3)c1)C2=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54815775
20558,COc1cccc2c1CN1CCc3cc(CC4CCCC4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6100517
20559,Cc1cc(OCCF)ccc1ON1CCC(NS(=O)(=O)c2cc(F)ccc2F)C1,[*]CCOc1ccc(O[*])c([*])c1,0.31365526
20560,Cc1cc(OCCN2CCN(Cc3ccc(F)cc3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.49851874
20561,Cc1cc(OCCNC(=O)COc2ccc3c(c2)NC(=O)CC3)ccc1OC(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.052972138
20562,Cc1cc2c(cc1O)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72222733
20563,Cc1ccc(OC2CCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.4419564
20564,Cc1cccc(CN2CCN(CCCN3C(=O)S(=O)(=O)c4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63562316
20565,Fc1cccc(-c2cccc(CN3CCN(CCCCl)CC3)c2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67553693
20566,N#Cc1cccc2cccc(-c3cc4c(cc3O)C3Cc5cccc(O)c5CN3CC4)c12,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6365743
20567,O=C(Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)Nc1c(Cl)cc(Cl)cc1Cl,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45021173
20568,O=C1c2ccccc2N1c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69863385
20569,O=S1(=O)Cc2ccccc2C1CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.622667
20570,Oc1cc2c(cc1-c1cccc(OC(F)(F)F)c1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57190895
20571,Oc1cc2c(cc1Cl)C1Cc3cccc(-c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69426185
20572,Oc1cc2c(cc1NC=Cc1ccccc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55469084
20573,Oc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.662666
20574,C#Cc1cc2c(cc1O)C1Cc3cccc(-c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59395945
20575,C#Cc1cc2c(cc1O)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6658022
20576,C=S(=O)(O)Oc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65405667
20577,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3c[nH]c4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73705417
20578,CCCCc1ccc(CCOc2ccc(ONS(C)(=O)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.059110526
20579,CCCOc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6507841
20580,CCCOc1ccc(OC(=O)NC)c(N2CCC(c3ccccc3)C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12579677
20581,CCCOc1ccc(OC(C)NS(C)(=O)=O)c(CCOc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24499798
20582,CCCOc1ccc(OC)c(N2CCN(c3ccccc3OCC(C)C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39551568
20583,CCCOc1ccc(ON)c(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38868657
20584,CCCOc1ccc(ON2CCC(c3ccccn3)CC2)c(NS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24784276
20585,CCCOc1ccc(ON2CCN(c3ccc(C(F)(F)F)cc3)C2=O)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2214731
20586,CCCOc1ccc(OOC)c(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08456951
20587,CCCOc1ccc(OOc2ccccc2CCC)c(N(C)CCO)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13144518
20588,CCN(C)C(=O)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5306058
20589,CCc1ccc(N2CCN(COc3ccc(OCCOC)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.47125268
20590,COC1CCN(CCN2CCN(c3ccccc3S(=O)(=O)c3cccc(C(N)=O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.643145
20591,COCCCN1CCN(Cc2cccc(C3(O)CCCc4ccc(N)cc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.671864
20592,COCCOc1ccc(OC)c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30338803
20593,COOc1ccc(OCCCOc2ccc(F)cc2)cc1-c1ccccn1,[*]CCOc1ccc(O[*])c([*])c1,0.13167807
20594,COc1ccc(C(=O)NCCN2CCN(c3ccccc3C)CC2)cc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.71602213
20595,COc1ccc(OCCC2CCN(Cc3ccccc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.73933697
20596,COc1ccc(OCCCN(C)C)cc1CF,[*]CCOc1ccc(O[*])c([*])c1,0.15201356
20597,COc1ccc(OCCCN2CCC(c3ccccc3)CC2)cc1C(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.70617884
20598,COc1ccc(OCCCS(=O)(=O)c2ccccc2C(C)C)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10928076
20599,COc1ccc(OCCN2CCN(Cc3cc4ccccc4o3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.7904153
20600,COc1ccc(OCCN2CCN(c3ccc(Cl)cc3)CC2)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.69339263
20601,COc1ccc(OCCNS(C)(=O)=O)cc1CCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.13678253
20602,COc1cccc(CN2CCN(CCCC3CCC(NC(=O)c4ccco4)CC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.43138203
20603,COc1ccccc1N1CCN(CCN2CCC(Oc3ccc4nc(O)ccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.813154
20604,COc1ccccc1N1CCN(CCN2CCC([N+](=O)[O-])CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75042295
20605,COc1ccccc1N1CCN(CCN2CCC(c3cc(C)ccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7806924
20606,CSc1ccc(CC2CCN(Oc3ccc(OCCS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.16894093
20607,Cc1cc(C(=O)NCCN2CCN(C)CC2)ccc1S(=O)(=O)c1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.18182069
20608,Cc1cc(OCCCN2CCC(Cc3cccs3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6140771
20609,Cc1cc(OCCF)ccc1OCN1CCN(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.52071327
20610,Cc1cc(OCCN2CCC(CCc3ccc(F)cc3)C2=O)ccc1OCS(=N)O,[*]CCOc1ccc(O[*])c([*])c1,0.17627499
20611,Cc1cc(OCCN2CCC(Cc3ccc(OC4CCC(=O)CC4)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5419921
20612,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(c2ccc(Br)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.16151425
20613,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCCC(Cc2ccc(C3CC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.12836345
20614,Cc1cc(OCCNC(=O)c2ccc(F)cc2)ccc1OC(=O)C1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20066333
20615,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(Oc2ccc(CC3CCCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.17334402
20616,Cc1ccc(CNCCOc2ccc(OOS(C)(=O)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.15826313
20617,Cc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccco3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5997458
20618,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)Nc3cccc(C#N)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6214952
20619,ClC1CCN(CCN2CCN(c3ccccc3Oc3ccnc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7710448
20620,Clc1cccc(CN2CCN(CCCCNc3ccco3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6205199
20621,O=C(C=Cc1ccccc1)NCc1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5818138
20622,O=C(NCc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1cc2ccccn2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6837273
20623,O=C(Nc1ccccc1N1CCN(CCN2CCC(O)CC2)CC1)c1cc2ccccc2o1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.36825147
20624,O=C1CS(=O)(=O)c2ccccc2N1CCCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7133714
20625,O=C1CSc2ccccc2N1CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.696677
20626,O=C1Cc2ccccc2N(c2cccc(CN3CCN(CCCF)CC3)c2)N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7480561
20627,O=S(=O)(CCCN1CCN(Cc2cccc(Cl)c2)CC1)c1ccccc1F,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59581023
20628,O=c1sc2ccccc2n(Cc2cccc(CN3CCN(CCCCl)CC3)c2)c1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4801482
20629,Oc1ccccc1-c1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6636808
20630,C=Cc1cccc2c1CN1CCc3cc(C)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6619193
20631,CC1CCN(CCN2CCN(c3ccccc3-n3c(O)cc4ncccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72902864
20632,CCC1CCN(CCN2CCN(c3ccccc3-c3ccc(O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6989898
20633,CCCCOc1ccc(OCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.7859721
20634,CCCCc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7619458
20635,CCCOc1ccc(OF)c(C2(c3ccc(F)cc3)C=C(C(=O)O)CCN2CCO)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22398089
20636,CCCOc1ccc(OOC)c(CN2CCN(c3ccccc3OC(C)C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.81387365
20637,CCCOc1ccc(OS(C)(=O)=O)c(Oc2cc3c(cc2CCC)CCC(=O)N3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20066284
20638,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3191357
20639,CCNC(=O)c1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56223106
20640,CCOC(=O)Cc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43335426
20641,CCOCC(=O)Nc1cc(OCCS(=O)(=O)O)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.02096184
20642,CCOc1ccccc1N1CCN(CCN2CCC(c3nccc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8394756
20643,CCSC1Cc2ccc(CCCCCOc3ccc(OC)c(S(C)(=O)=O)c3)cc2NC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.2124515
20644,CNC(=O)c1ccc2c(-c3cccc(CN4CCN(CCCOC)CC4)c3)cccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.34629828
20645,COCCCN1CCN(Cc2cccc(-n3ccc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62464654
20646,CONCc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5702496
20647,COc1cc2c(cc1Cl)C1Cc3cccc(C(=O)NCc4ccncc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4486908
20648,COc1cc2c(cc1O)C1Cc3cccc(-c4cc(C#N)ccc4C#N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6798899
20649,COc1cc2c(cc1O)C1Cc3cccc(C(=O)NCCc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47950536
20650,COc1cc2c(cc1O)C1Cc3cccc(CN(C)C(=O)c4ccc([N+](=O)[O-])cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41080427
20651,COc1cc2c(cc1O)C1Cc3cccc(NC(=O)CCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.27237082
20652,COc1ccc(C2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)c(OC)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6791161
20653,COc1ccc(C2CCN(Oc3ccc(OCCS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.22379662
20654,COc1ccc(OCCC(N)=O)cc1CN1CCC(c2noc3cc(F)ccc23)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5661352
20655,COc1ccc(OCCCCCc2ccccc2)cc1NC(=O)c1ccc(C=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.03119915
20656,COc1ccc(OCCN2CCN(Cc3ccc(F)cc3)CC2)cc1SO,[*]CCOc1ccc(O[*])c([*])c1,0.45198888
20657,COc1ccc(OCCN=S(C)(=O)O)cc1Cc1ccc(N2CCNCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.23656851
20658,COc1ccc(OCCN=S(C)(=O)O)cc1NCCc1cccs1,[*]CCOc1ccc(O[*])c([*])c1,0.058801223
20659,COc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1CN1CCN(C=S(C)(=O)O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.09800972
20660,COc1ccc(OCCNCc2cccc(F)c2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.1923767
20661,COc1ccc(OCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1C1CCNCO1,[*]CCOc1ccc(O[*])c([*])c1,0.19674927
20662,COc1ccc(OCCNS(=O)(=O)c2ccccc2CC(C)C)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09736712
20663,COc1ccc(OCCNS(C)(=O)=O)cc1CCCc1cc2ccccc2o1,[*]CCOc1ccc(O[*])c([*])c1,0.10652419
20664,COc1ccc(OCCS(C)(=O)=O)cc1-c1ccc(CSc2ccc(F)cc2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06876379
20665,COc1ccc(OCCS(C)(=O)=O)cc1C(COc1ccc2c(c1)NC(=O)CC2)OC,[*]CCOc1ccc(O[*])c([*])c1,0.23509839
20666,COc1cccc(CN2CCN(CCCC(=O)N(C)c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4447721
20667,COc1cccc(CN2CCN(CCCc3cc4cccnc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60123515
20668,COc1cccc(NC(=O)c2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36694816
20669,COc1cccc2c1CN1CCc3cc(C(=O)c4ccc(F)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48340046
20670,COc1ccccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1C=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3929524
20671,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83410275
20672,COc1ccccc1N1CCN(CCOc2ccc(OSC)c(C)c2)C(=O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.22380699
20673,Cc1cc(OCCC(=O)COc2ccc(F)cc2)ccc1ON1CCC(C(=O)O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.14356758
20674,Cc1cc(OCCN2CCC(Cc3ccccc3N)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5730251
20675,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(c2ccccc2C=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21220283
20676,Cc1cc(OCCNC(=O)COc2ccccc2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.017005442
20677,Cc1cc(OCCOS(C)(=O)=O)ccc1ON1CCC(OC2=CC=C3C=CC3CCCCC2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19802503
20678,Cc1cc(OCCOS(C)(=O)=O)ccc1ON1CCC(Oc2ccc(CC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19523498
20679,Cc1ccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2F)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.1937353
20680,Clc1cccc(CN2CCN(CCCc3cc(C4CCCCC4)no3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54327345
20681,O=c1ccc2ccc(OCc3cccc(CN4CCN(CCCCl)CC4)c3)cc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65576476
20682,OCc1ccc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)cc1Cl,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6254074
20683,Oc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(F)cc4F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71869594
20684,CC(=O)NCCOc1ccc(ON2CCC(S(=O)(=O)c3ccccc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09880416
20685,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3ccccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8338875
20686,CC(C)c1ccccc1N1CCN(CCN2CCC(NC(=O)C#Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7132961
20687,CC(C)c1ccccc1N1CCN(CCN2CCC(c3ccc4c(c3)NC(=O)CO4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70637524
20688,CCCNCc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7051259
20689,CCCOc1ccc(OCNS(C)(=O)=O)c(Cc2ccc(Cl)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08086403
20690,CCCOc1ccc(OCS(C)(=O)=O)c(N2CCC(Oc3ccc(CCC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33467448
20691,CCCOc1ccc(OCl)c(NCC2CCc3ccc(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.51243764
20692,CCCOc1ccc(OCl)c(NCC2CCc3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.44413048
20693,CCCOc1ccc(ONS(C)(=O)=O)c(CC(C)COc2ccc3ccc(CCC)cc3c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05908196
20694,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(c3ccc(OC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32099643
20695,CCCOc1ccc(OOC)c(CCNC(=O)c2ccccc2NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.015796015
20696,CCCOc1ccc(OOC)c(CNC(=O)c2ccccn2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.034931935
20697,CN1CCN(CCNC(=O)c2ccc(C(=O)O)c(-c3ccccc3[N+](=O)[O-])c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30695352
20698,CNC(=O)CCOc1ccc(OC)c(N2CCCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15196913
20699,COC(=O)NOc1ccc(OCCNC(=O)Cc2ccc3c(c2)CC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.045843992
20700,COC(=O)c1ccc(-c2cc(C(=O)NCCN3CCN(OC)CC3)ccc2OC)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.20350653
20701,COC1CCN(CCN2CCN(c3ccccc3C(=O)NCc3ccncc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7149234
20702,COCCOc1ccc(OC)c(N2CCN(c3cccc(C)c3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29728583
20703,COOc1ccc(OCCC(F)COc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.10832578
20704,COOc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1CN1CCNC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.092705555
20705,COc1cc(C(=O)NCCN2CCN(O)CC2)ccc1-c1ccc([N+](=O)[O-])cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.16815795
20706,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1cccc(Cl)c1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2631617
20707,COc1cc2c(cc1C(N)C1CC1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7363336
20708,COc1cc2c(cc1O)C1Cc3cccc(C(=O)c4ccc5cc(CO)ccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5359776
20709,COc1ccc(C(=O)C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7270942
20710,COc1ccc(OCCN2CCC(Oc3ccc(C4CCCCC4)cc3)CC2)cc1C(=O)NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.47443846
20711,COc1ccc(OCCN2CCN(C(=O)Cc3ccc(F)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.21643186
20712,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCC1COc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.22306935
20713,COc1ccc(OCCNC(C)=O)cc1N=S(C)(=O)c1ccc(Cl)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.015708387
20714,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(Cc2ccc(OC3CCC(=O)NC3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.26653722
20715,COc1cccc(CNCCOc2ccc(ONS(C)(=O)=O)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13138546
20716,COc1cccc2c1CN1CCc3cc(NC4CCCCC4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45017707
20717,COc1ccccc1N1CCN(CCN2CCC(Oc3ccc4cccnc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8651368
20718,COc1ccccc1N1CCN(Oc2ccc(OCCNS(C)(=O)=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27282336
20719,CSOc1ccc(OCCN2CCN(c3ccccc3OCCF)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.7702399
20720,Cc1cc(OCCF)ccc1ON=CN1CCCC(c2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.26366293
20721,Cc1cc(OCCN2CCC(Oc3ccc(CCF)cc3)CC2)ccc1OSO,[*]CCOc1ccc(O[*])c([*])c1,0.4826496
20722,Cc1cc(OCCN2CCC(c3ccc(OC4CCCC4)cc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5017147
20723,Cc1cc(OCCN2CCCC(Cc3ccc(OC4CCCC4)cc3)C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.35466823
20724,Cc1cc(OCCN=S(C)(=O)O)ccc1OC=Cc1ccccc1OC1CCNC1,[*]CCOc1ccc(O[*])c([*])c1,0.16496395
20725,Cc1cc(OCCN=S(C)(=O)c2ccccc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.06121438
20726,Cc1cc(OCCNC(=O)CCc2ccc3c(c2)C(=O)CC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.052945897
20727,Cc1cc(OCCNC(=O)c2cccs2)ccc1ONCC1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.052521974
20728,Cc1cc(OCCNCC2C(=O)CCc3ccc(S(C)(=O)=O)cc32)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.18605609
20729,Cc1cc(OCCNS(C)(=O)=O)ccc1OC(=O)COc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.021741716
20730,Cc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(C#N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7559297
20731,Cc1cccc(CN2CCN(CCCOc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60020435
20732,Cc1cn(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1-c1ccccc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75843084
20733,Cc1csc(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82511616
20734,ClC1CCN(CCN2CCN(c3ccccc3Oc3cc4ccccn4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8216802
20735,O=C1c2ccccc2CN1CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7193733
20736,O=S1(=O)c2ccccc2N(Cc2cccc(CN3CCN(CCCCl)CC3)c2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5823168
20737,C=Cc1cccc2c1CN1CCc3cc(O)c(C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6444604
20738,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3ccc(O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8364431
20739,CC(C)c1ccccc1N1CCN(CCN2CCC(Cc3ccc4ccc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6751421
20740,CC1CCN(CCN2CCN(c3ccccc3NC(=O)Nc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.3546389
20741,CCCNOc1ccc(OCCNS(=O)(=O)c2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.03918163
20742,CCCOc1ccc(ON2CCCC(c3ccc(F)cc3)C2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.385597
20743,CCCOc1ccc(OS(C)(=O)=O)c(C(=O)COc2ccccc2CC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.036704507
20744,CCCOc1ccc(OS(C)(=O)=O)c(C2CCN(CCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.65425634
20745,CCOc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccccc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79484427
20746,CCOc1ccccc1N1CCN(CCOc2ccc(OC)c(O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.86208904
20747,COCCOc1ccc(OC)c(C2CCN(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10099115
20748,COc1cc(C(=O)NCCN2CCN(c3cccc(C)c3)CC2)ccc1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.58712196
20749,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(NC(C)=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3468672
20750,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccccc3COc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60431457
20751,COc1cc2c(cc1OC)C1Cc3cccc(Nc4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44212416
20752,COc1ccc(-c2cccc(C3CCN(CCN4CCN(c5ccccc5OC)CC4)CC3)c2)cc1OC,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83131695
20753,COc1ccc(Cc2cccc3c2CN2CCc4cc(OC)c(NC(=O)OCc5ccccc5)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.334435
20754,COc1ccc(OCCCN2CCCC(Cc3ccccc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.49393347
20755,COc1ccc(OCCCS(=O)(=O)c2cccc(F)c2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.105083995
20756,COc1ccc(OCCF)cc1NS(=O)(=O)c1ccc(CCN)c(Cl)c1,[*]CCOc1ccc(O[*])c([*])c1,0.058692466
20757,COc1ccc(OCCF)cc1S(=O)(=O)C1CCCN1,[*]CCOc1ccc(O[*])c([*])c1,0.14887998
20758,COc1ccc(OCCN2CCN(C)CC2)cc1-c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.5120089
20759,COc1ccc(OCCN2CCN(c3ccccc3OC)CC2)cc1NC(=O)C=O,[*]CCOc1ccc(O[*])c([*])c1,0.61645263
20760,COc1ccc(OCCN=S(C)(=O)O)cc1NC(=O)Cc1ccc(OC2CCCCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.020676438
20761,COc1ccc(OCCN=S(C)(=O)O)cc1NCCc1cc2ccccc2s1,[*]CCOc1ccc(O[*])c([*])c1,0.0667262
20762,COc1ccc(OCCS(C)(=O)=O)cc1CN1CCC(Cc2ccc3c(c2)NC(=O)CCC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4705894
20763,COc1ccc(OCCSC=O)cc1N1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29584804
20764,COc1ccc(OCCc2cc(C3CC=C(C)CC3)no2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.2195559
20765,COc1cccc(CN2CCN(CCCN=C3C(=O)Nc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5056617
20766,COc1cccc(Oc2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8869473
20767,COc1cccc2c1CN1CCc3cc(-c4cccc(CO)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6743889
20768,COc1cccc2c1CN1CCc3cc(-c4cccc(N)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7431825
20769,COc1ccccc1N1CCN(CCN2CCC(Oc3cnc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.805337
20770,CS(=O)(=O)c1cc(OCCF)ccc1ON1CCC(Cc2ccc3ccccc3n2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2085148
20771,Cc1cc(OCCF)ccc1ONC(=O)c1ccc(S(N)(=O)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.024757726
20772,Cc1cc(OCCN2CCC(Oc3ccc(F)cc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.60120666
20773,Cc1cc(OCCN=S(C)(=O)O)ccc1OC(=O)COc1ccc2c(c1)NCC2,[*]CCOc1ccc(O[*])c([*])c1,0.112731434
20774,Cc1cc(OCCNS(=O)(=O)c2ccc(F)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.044102326
20775,Cc1cc(OCCNS(=O)(=O)c2ccccc2)ccc1ON1CCC(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.26884294
20776,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(Cc2ccc3c(c2)NC(=O)CCC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.30551124
20777,Cc1cc(OCCS(N)(=O)=O)ccc1ON1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22824472
20778,Cc1cc2c(cc1O)C1Cc3cccc(OCc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6112857
20779,Cc1ccccc1-c1cc(C(=O)NCCN2CCN(C)CC2)ccc1C=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.41146865
20780,ClCCCN1CCN(Cc2cccc(Cc3ccccn3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5972234
20781,N#CN1CCN(CCNC(=O)c2ccc(F)c(-c3ccccc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.42967418
20782,N#Cc1cccc(CN2CCN(CCCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.81165546
20783,N#Cc1ccccc1N1CCN(CCN2CCC(c3ccc(O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8561134
20784,O=C(NC1CCN(CCN2CCN(c3ccccc3OC(F)(F)F)CC2)CC1)c1cccc(F)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8266377
20785,O=C(NCc1cccc(F)c1)NCC1CCN(CCN2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.502695
20786,O=C(Nc1cc(Cl)ccc1Cl)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40280855
20787,O=C(Nc1cccc(CN2CCN(CCCCl)CC2)c1)C1Cc2ccccc2C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3948683
20788,O=C(c1cc2ccccc2s1)C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7430297
20789,O=C1CCc2ccccc2N1Cc1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60137147
20790,O=S(=O)(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1cccnc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.54520077
20791,O=c1ncccn1C1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7929647
20792,Oc1cc(C2CCN(CCN3CCN(c4ccccc4F)CC3)CC2)cc(-c2ccccc2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6012855
20793,CCCOc1ccc(OC)c(CN2CCN(C(=O)c3ccc(C(C)=O)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07016653
20794,CCCOc1ccc(OCNc2ccc(F)cc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05335662
20795,CCCOc1ccc(OCl)c(NCC2CCc3ccc(C(C)=O)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2292299
20796,CCCOc1ccc(ON2CCC(C(=O)c3ccc(F)cc3)CC2)c(C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21490316
20797,CCCOc1ccc(ON2CCCC(Cc3c(O)ccc4cc(F)ccc34)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35144037
20798,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(Cc3ccc4c(c3)C(=O)NCC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35485774
20799,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(Oc3ccc(CC4CCNC4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28516048
20800,CCCOc1ccc(OOC)c(NCC2CCc3cc(OC)c(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38619316
20801,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3ccc(OC4CCCC4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2601474
20802,CCCOc1ccc(OS(C)(=O)=O)c(NCCC2CCc3ccccc3C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2113689
20803,CCN(C)C(=O)Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38655367
20804,CCOC(=O)Nc1cccc(-c2cc3c(cc2OC)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3116824
20805,CCOc1cc2c(cc1O)CCN1Cc3c(cccc3OCC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71054137
20806,CCOc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8283799
20807,CNc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5133619
20808,COC(=O)NOc1ccc(OCCCCSc2cc(F)ccc2OC)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.0378332
20809,COC1CCN(CCN2CCN(c3ccccc3C3CCCCC3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71889955
20810,COCCCN1CCN(Cc2cccc(N3c4ccccc4C(=O)C3C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5712904
20811,COOc1ccc(OCCN2CCC(NS(=O)(=O)c3ccc(C(C)C)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5519896
20812,COc1cc(C(=O)NCCN2CCN(COc3ccccc3)CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.19443606
20813,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7315785
20814,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccc([N+](N)=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58291626
20815,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)NCc3ccc(C=O)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5116253
20816,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(C)c(C=O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58554816
20817,COc1cc2c(cc1OC)C1Cc3cccc(C=Nc4ccccc4C#N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73439723
20818,COc1ccc(C(=O)Nc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c(OC)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.37290427
20819,COc1ccc(CC2CCN(Cc3cc(OCCNS(C)(=O)=O)ccc3OC)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.39737675
20820,COc1ccc(OCCF)cc1CS(=O)(=O)C1CCCN(Cc2ccc(SC)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.33590534
20821,COc1ccc(OCCN2CCC(CNC(=O)c3ccc(F)cc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.35556322
20822,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(Cc2ccc(OC3CCCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.17758974
20823,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1NC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.018971005
20824,COc1ccc(OCCNCc2ccc(S(C)(=O)=O)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.15708338
20825,COc1ccc(OCCNCc2cccc(OS(C)(=O)=O)c2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.18088327
20826,COc1ccc(OCCOS(C)(=O)=O)cc1N1CCC(CC(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23616101
20827,COc1ccc(OCCS(N)(=O)=O)cc1C(F)Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07415377
20828,COc1cccc2c1CN1CCc3cc(C=NCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63339424
20829,COc1ccccc1Cc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.591498
20830,COc1ccccc1N1CCN(COc2ccc(OCCCOc3ccccc3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.71026284
20831,CSOc1ccc(OCCN2CCOC(CCc3ccccc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.42360285
20832,CSc1ccccc1N1CCN(CCN2CCC(Cn3cc(F)cnc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64668065
20833,Cc1cc(OCCC=CCc2cccs2)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.10144683
20834,Cc1cc(OCCCNCc2ccccc2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.20802376
20835,Cc1cc(OCCN2CCC(c3coc4cc(F)ccc34)CC2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6404921
20836,Cc1cc(OCCNCc2ccccc2)ccc1ON(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.24812219
20837,Cc1cc(OCCO)ccc1ON1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29272574
20838,Cc1cc2c(cc1-c1ccncc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6392415
20839,Cc1ccc(OCC(=O)NCCOc2ccc(OS(N)(=O)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.01036927
20840,Cc1cccc(-c2cccc3c2CN2CCc4cc(Cl)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.602657
20841,Cc1ccccc1N1CCN(CCN2CCC(Cc3cc4ccccc4c(O)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.59925926
20842,ClC1CCN(CCN2CCN(c3ccccc3-c3c[nH]c4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8132032
20843,O=C(Nc1ccccc1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1cc(O)nc2ccccc12,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.40122318
20844,O=C1C=CN(CCCN2CCN(Cc3cccc(Cl)c3)CC2)C1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5990111
20845,O=S(=O)(c1cccc(F)c1)C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7696528
20846,OCc1ccc(Cl)cc1-c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6088579
20847,Oc1nc2ccccc2cc1CCCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68184036
20848,CCCOc1ccc(OC(=O)OC)c(N2CCC(CCc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1808635
20849,CCCOc1ccc(OF)c(CN2CCN(c3ccc(C(=O)OC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29984367
20850,CCCOc1ccc(OF)c(CNCC2CCN(C(C)=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09855175
20851,CCCOc1ccc(ONCCc2ccccc2)c(N=S(C)(=O)O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07869377
20852,CCCOc1ccc(OOC)c(C2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31949076
20853,CCCOc1ccc(Oc2ccc(F)cc2)c(CN2CCCC(Cc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.48838657
20854,CCOCCCN1CCN(Cc2cccc(-c3ccco3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5040185
20855,CN1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(-c3ccccc3[N+](=O)[O-])c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29427776
20856,CNc1cccc(Cc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52988416
20857,COC(=O)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44911203
20858,COC1CCN(CCN2CCN(c3ccccc3-c3cc(-c4ccc(Cl)cc4)cnn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.808388
20859,COC1CCN(CCN2CCN(c3ccccc3OC3=Cc4ccc(c(O)n4)C=C3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7071661
20860,COCCCN1CCN(Cc2cccc(N3C(=O)CC4(CCCC4)CC3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5616172
20861,COCCOc1ccc(OC(=O)Nc2ccc(F)nc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.013222669
20862,COCCOc1ccc(OC)c(CN2CCCC(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40618354
20863,COCCOc1ccc(OOC)c(CN2CCCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7549047
20864,COc1cc2c(cc1-c1ccc(CCO)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77979463
20865,COc1ccc(C(=O)NC2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76657254
20866,COc1ccc(OCCC(=O)N2CCC(c3ccccc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.12205929
20867,COc1ccc(OCCCCOc2ccc3c(c2)NC(=O)CC3)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.29061314
20868,COc1ccc(OCCN2CC=C(c3ccccc3)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.39931455
20869,COc1ccc(OCCN2CCC(CCc3ccc(F)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.70282125
20870,COc1ccc(OCCN2CCC(Oc3ccc(CC4CCCCC4)cc3)CC2)cc1[SH](C)(=O)[O-],[*]CCOc1ccc(O[*])c([*])c1,0.3963437
20871,COc1ccc(OCCN2CCC(c3ccc(F)cc3)CC2)cc1[SH]=O,[*]CCOc1ccc(O[*])c([*])c1,0.7554787
20872,COc1ccc(OCCN2CCCC(C(C)=O)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.27684706
20873,COc1ccc(OCCN2CCCN(c3cccc(Cl)c3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.80602854
20874,COc1ccc(OCCN=S(C)(=O)O)cc1NS(=O)(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.057079274
20875,COc1ccc(OCCNC(=O)CCc2ccccc2)cc1N1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21992244
20876,COc1ccc(OCCS(=O)(=O)N(C)C)cc1CCCc1ccc2c(c1)CC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.209563
20877,COc1cccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2C)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27275652
20878,COc1cccc(CCCCN2CCN(Cc3cccc(OCCF)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68382454
20879,COc1cccc(CN2CCN(CCCCc3ccc(-c4ccccc4OC)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6875141
20880,COc1cccc(CN2CCN(CCCOc3ccc4ccc(=O)oc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6045894
20881,COc1cccc(OC=Cc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.81359917
20882,COc1ccccc1C1CCCN(CCOc2ccc(OS(=O)(=O)O)c(C)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.45984212
20883,COc1ccccc1N1CCN(CCN2CCC(Nc3ncc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.90867865
20884,COc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccc(F)nc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87901694
20885,Cc1cc(OCCN(C)C)ccc1ONCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.16622618
20886,Cc1cc(OCCN2CCC(Cc3ccc(OS(C)(=O)=O)cc3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.56129116
20887,Cc1cc(OCCN2CCC(Oc3ccc(CC4C(=O)CCC4=O)cc3)CC2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.430723
20888,Cc1cc(OCCNCCc2cccs2)ccc1OOS,[*]CCOc1ccc(O[*])c([*])c1,0.17145616
20889,Cc1ccccc1N1CCN(CCN2CCC(c3cccc(O)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7102371
20890,Cc1ccccc1N1CCN(CCN2CCC(n3cccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7246124
20891,ClC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccncc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82623965
20892,ClC1CCN(CCN2CCN(c3ccccc3Cc3cc4ccccc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7210618
20893,ClCCCN1CCN(Cc2cccc(CSc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.50543356
20894,O=C(CCCCCN1CCN(Cc2cccc(Cl)c2)CC1)N1Cc2ccccc2C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6166183
20895,O=C(CCCCCN1CCN(Cc2cccc(F)c2)CC1)N1CCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5267284
20896,O=C(NCCCN1CCN(Cc2cccc(Cl)c2)CC1)c1ccoc1-c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.39976326
20897,O=C(Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2)Oc1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38469228
20898,O=C1c2ccccc2C[SH]1(=O)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65076476
20899,OCC=Cc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.80194503
20900,Oc1cc(-c2ccccc2)cn1C1CCN(CCN2CCN(c3ccccc3OC(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8765402
20901,Oc1cc2c(cc1Cc1cccc3ccccc13)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72024715
20902,CC(=O)c1ccc(OC2CCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.41447774
20903,CCCOc1ccc(OCN2CCN(c3ccccc3OC)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.81950754
20904,CCCOc1ccc(ON=S(C)(=O)O)c(NC2CCc3cc(OC)c(OCC)cc3CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29626063
20905,CCCOc1ccc(ON=S(C)(=O)O)c(NCCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08269218
20906,CCCOc1ccc(ONC)c(CNc2ccccc2OC(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09672652
20907,CCCOc1ccc(OS(C)(=O)=O)c(CN2CCC(c3ccc(SC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5278966
20908,CCCOc1ccc(OSC)c(C(C)Cc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25233582
20909,CCOC(=NC)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58335036
20910,CCOCCCN1CCN(Cc2cccc(CNC(=O)C3CCCCC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3510772
20911,CCOc1ccccc1C1CCCN(CCOc2ccc(OC)c(SC)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.54043
20912,CNC(=O)c1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4710422
20913,COCCCN1CCN(Cc2cccc(-c3cccc(-c4ccccc4)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6081036
20914,COCCCN1CCN(Cc2cccc(-c3cccc(S(C)(=O)=O)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5327363
20915,COCCCN1CCN(Cc2cccc(C3N=C(c4ccccc4)C(=O)N3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5639943
20916,COOc1ccc(OCCNC(=O)CCc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.02830008
20917,COc1cc(C(=O)NCCN2CCN(O)CC2)ccc1-c1ccc(C)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.15121646
20918,COc1cc2c(cc1CNCCc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6380869
20919,COc1cc2c(cc1Cc1cccc(C#N)c1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5238679
20920,COc1cc2c(cc1O)CCN1Cc3c(CSC)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7567859
20921,COc1cc2c(cc1OC)C1Cc3cccc(CNCc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68357223
20922,COc1cc2c(cc1OC)C1Cc3cccc(Cc4cccc(C(C)=O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48295608
20923,COc1cc2ccccc2cc1CCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.74019176
20924,COc1ccc(-c2cc3c(cc2OC)C2Cc4cccc(COc5ccccc5)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68227524
20925,COc1ccc(OCCCC(=O)Cc2ccc3ccccc3c2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.044639878
20926,COc1ccc(OCCF)cc1S(=O)(=O)N(C)c1cccc(C(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11245653
20927,COc1ccc(OCCN2CCN(c3ccccc3C(F)(F)F)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.82776386
20928,COc1ccc(OCCN=S(C)(=O)O)cc1C(C)Cc1ccc2c(c1)CCC(=O)N2,[*]CCOc1ccc(O[*])c([*])c1,0.19214939
20929,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1CSCC1CCCNC1,[*]CCOc1ccc(O[*])c([*])c1,0.07854545
20930,COc1ccc(OCCNC(O)Cc2ccc3c(c2)NC(=O)CC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.19129533
20931,COc1ccc(OCCNCc2cccnc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.15733299
20932,COc1ccc(OCCNS(=O)(=O)Cc2ccc(C(C)C)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.063860156
20933,COc1cccc(-c2cc(C(=O)NCCN3CCN(O)CC3)ccc2OC)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2976115
20934,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(OC(C)=O)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32260215
20935,COc1ccccc1-c1ccccc1N1CCN(CCN2CCC(O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75028706
20936,COc1ccccc1N1CCN(CCN2CCC(Cc3ccc(C#N)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7929376
20937,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cc4ccc3CCc3ccc(cc3)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80554444
20938,CSOc1ccc(OCCN2CCC(Oc3ccc(CC4CCCSC4)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5370715
20939,CSOc1ccc(OCCNC(=O)Cc2ccc3c(c2)CCOC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.030572662
20940,Cc1cc(OCCN(C)C)ccc1ON1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4062732
20941,Cc1cc(OCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.67717725
20942,Cc1cc(OCCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.050371356
20943,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCC(c2ccc(OCCF)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23099633
20944,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)C#Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6438945
20945,Cc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccccc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.62997013
20946,Clc1cccc(CN2CCN(CCCCc3ccc4cccc-4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7002792
20947,O=C(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1cc2ccccc2[nH]1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.45728818
20948,O=C1N(c2cccc(Cl)c2)CCN1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67636734
20949,O=[N+]([O-])c1cccc2c1CN1CCc3cc(Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47463506
20950,Oc1cc(-c2cccc(CN3CCN(CCCF)CC3)c2)c2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6570566
20951,Oc1ccc(-c2ccccc2)c(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70245415
20952,Oc1ccc2cc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)ncc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7237283
20953,Oc1cccc2c1CN1CCc3cc(-c4ccccc4OCc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60534334
20954,CC(=O)Oc1cc2c(cc1O)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49324033
20955,CCCC1CN(CCOc2ccc(OC)c(N=S(C)(=O)O)c2)CCC1c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.4506884
20956,CCCCn1cc(CCOc2ccc(OOC)c(CCN3CCN(c4ccccc4OC)CC3)c2)nn1,[*]CCOc1ccc(O[*])c([*])c1,0.87325376
20957,CCCOc1ccc(OCCc2ccc(F)cc2)c(N=CO)c1,[*]CCOc1ccc(O[*])c([*])c1,0.084867455
20958,CCCOc1ccc(ON2CCC(c3ccc(F)cc3)CC2)c(NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37070993
20959,CCCOc1ccc(ON2CCC(c3ccccc3C)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.353127
20960,CCCOc1ccc(ON2CCN(C)CC2)c(-c2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4764264
20961,CCCOc1ccc(ONC)c(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0945618
20962,CCCOc1ccc(ONS(C)(=O)=O)c(CCCc2nc3ccccc3s2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09541929
20963,CCCOc1ccc(OOC)c(C2CCC(c3ccccc3OC)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31847396
20964,CCCOc1ccc(OOC)c(N2CCC(c3ccccc3F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3426652
20965,CCCOc1ccc(OOC)c(N2CCN(C(=O)c3ccco3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.062281784
20966,CCCOc1ccc(OS(=O)(=O)CN=O)c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19419843
20967,CCOc1ccccc1C1CCN(CCOc2ccc(OC)c(S(C)(=O)=O)c2)CC1C,[*]CCOc1ccc(O[*])c([*])c1,0.54071206
20968,CCOc1ccccc1N1CCN(CCCOc2ccc(OC)c(NS(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.72924846
20969,CCOc1ccccc1N1CCN(CCN2CCC(Cc3ccncc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7887012
20970,CCOc1ccccc1N1CCN(CCN2CCC(c3ccc4c(c3)NC(=O)CO4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7590336
20971,CCc1cc2c(cc1OCc1ccc(OC)cc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6837839
20972,CCc1ccccc1N1CCN(CCN2CCC(C(=O)Nc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.58128756
20973,CNCCOc1ccc(OC)c(NS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.076551795
20974,CNc1cccc(CN2CCN(CCCc3coc4ccccc4c3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3836177
20975,COC1CCN(CCN2CCN(c3ccccc3COc3ccc(-c4ccc(O)nc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69432354
20976,COC1CCN(CCN2CCN(c3ccccc3S(=O)(=O)c3cccc(Cl)c3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7560067
20977,COCCCN1CCN(Cc2cccc(C(=O)N3Cc4ccccc4C3(C)C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58154416
20978,COOc1ccc(OCCN2CCC(c3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6979815
20979,COOc1ccc(OCCNC(=O)COc2ccc3c(c2)CCCC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.040569246
20980,COOc1ccc(OCCNCc2ccc(OC3CCCCC3)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.17406684
20981,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1cccc(C#N)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27974004
20982,COc1cc2c(cc1O)C1Cc3cccc(CNC(=O)c4cccc(C)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4040877
20983,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7587703
20984,COc1cc2c(cc1OS(C)(=O)=O)C1Cc3cccc(F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71766865
20985,COc1ccc(C)cc1-c1cc(C(=O)NCCN2CCN(O)CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.1823697
20986,COc1ccc(OCCCF)cc1NC(=O)c1cccc(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.035499983
20987,COc1ccc(OCCN2CCN(C)CC2)cc1Cc1cc2ccccc2o1,[*]CCOc1ccc(O[*])c([*])c1,0.5767039
20988,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(CCc2ccc3c(c2)NC(=O)CCC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.35009748
20989,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(c2ccc(C(C)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.16408645
20990,COc1ccc(OCCNC(=O)CCc2ccccc2)cc1C(=O)NC=O,[*]CCOc1ccc(O[*])c([*])c1,0.06298892
20991,COc1ccc(OCCNC(C)=O)cc1CC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.040823244
20992,COc1ccc(OCCS(C)(=O)=O)cc1CN1CCC(F)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.41347298
20993,COc1ccc(OCCS(C)(=O)=O)cc1OC(C)Cc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.09640713
20994,COc1cccc(CN2CCN(CCCCN(C(=O)c3ccccc3)C3CCCCC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.44495413
20995,COc1cccc2c1CN1CCc3cc(-c4cc[nH]c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7271498
20996,COc1cccc2c1CN1CCc3cc(C)c(S(=O)(=O)N(C)C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.628647
20997,CS(=O)(=O)c1ccccc1N1CCN(CCN2CCC(F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76043224
20998,Cc1cc(OCCF)ccc1OCNCC1CCSC(c2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.13700975
20999,Cc1cc(OCCN2CCC(NS(C)(=O)=O)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.63161707
21000,Cc1cc(OCCNCCCC2CC(=O)Nc3cc(ccc3F)C2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.28645766
21001,Cc1cc(OCCOS(C)(=O)=O)ccc1ON1CCCC(CCc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27682003
21002,Cc1cc(OCCOS(C)(=O)=O)ccc1ON1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2406418
21003,Cc1cc2c(cc1-c1cccc([N+](=O)[O-])c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4292834
21004,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc4cc(O)ccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68005925
21005,FC(F)(F)c1ccccc1N1CCN(CCN2CCC(c3cc4ccccc4[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7818052
21006,Fc1cccc(CN2CCN(CCCc3ccc(C(F)(F)F)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6525582
21007,O=C(c1ccccc1)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59800845
21008,O=c1sc2ccccc2c(=O)n1CCCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5416438
21009,Oc1ccc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)cn1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.673275
21010,CC(=O)NCCOc1ccc(ON2CCN(Cc3ccc(Cl)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36054224
21011,CC(O)c1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccccc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66971916
21012,CC1CCN(CCN2CCN(c3ccccc3NC(=O)C34CCCC(CC3)C4(C)C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.3523522
21013,CC1Cc2ccccc2N1C(=O)CCCCN1CCN(Cc2cccc(OC(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70452386
21014,CCCCc1cc2c(cc1O)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.715656
21015,CCCCc1cccc(-c2cc(OCCF)ccc2OOC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11493802
21016,CCCOc1ccc(OCC(=O)Nc2ccc(F)cc2)c(C(=O)Nc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.00445834
21017,CCCOc1ccc(OCN2CCN(c3cccc(C(C)C)n3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.46567407
21018,CCCOc1ccc(ON2CCN(c3ccccc3OCCF)CC2)c(NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.42286637
21019,CCCOc1ccc(ONCC2CCc3cc(F)ccc3C2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.56266636
21020,CCCOc1ccc(OOC)c(-c2cccc(OCC(F)(F)F)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.109358534
21021,CCCOc1ccc(OS(N)(=O)=O)c(CCOc2ccccc2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11844533
21022,CCOc1cc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.65864587
21023,CCOc1cccc2c1CN1CCc3cc(OCc4ccc5ccccc5c4)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6782449
21024,CN1CCN(CCNC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])c(O)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3123703
21025,COC1CCN(CCN2CCN(c3ccccc3-n3ccc(C(F)(F)F)nc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.672751
21026,COCCCN1CCN(Cc2cccc(C(=O)c3ccc4ccccc4c3OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4830859
21027,COCCOc1ccc(OCNC(=O)c2ccccc2N2CCN(C)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28258502
21028,COc1cc(CNCOc2ccc(OCCOS(C)(=O)=O)cc2C)ccc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.03715828
21029,COc1cc2c(cc1O)C1Cc3cccc(COc4cccc(CO)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74726933
21030,COc1cc2c(cc1O)C1Cc3cccc(Cc4cccc(C(C)=O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5500274
21031,COc1cc2c(cc1OC(C)=O)C1Cc3cccc(Cc4ccco4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47704637
21032,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7376644
21033,COc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1ccccc1C#N,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33156204
21034,COc1ccc(OCCC2CC(c3ccccc3)CC(=O)N2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.15453066
21035,COc1ccc(OCCN2CCCC(Oc3ccc4c(c3)NC(=O)CCC4)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6219603
21036,COc1ccc(OCCN2CCCC2Cc2ccccc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.38176778
21037,COc1ccc(OCCN=S(C)(=O)O)cc1CCOc1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.040063422
21038,COc1ccc(OCCNCC=Cc2ccccc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.11501503
21039,COc1ccc(OCCS(=N)(=O)O)cc1N1CCC(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29261926
21040,COc1ccc(OCCS(C)(=O)=O)cc1NCCc1csc2ccccc12,[*]CCOc1ccc(O[*])c([*])c1,0.06660425
21041,COc1ccc(OCCS(N)(=O)=O)cc1CCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.10259844
21042,COc1cccc(CCCOc2ccc(OCN3CCN(C)CC3)c(C)c2)c1F,[*]CCOc1ccc(O[*])c([*])c1,0.40839213
21043,COc1cccc(CN2CCN(CCCCN3c4ccccc4CC3C)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7889988
21044,COc1cccc(CN2CCN(CCCN3c4ccccc4C(=O)S3(=O)=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6269653
21045,COc1cccc(Oc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7838738
21046,COc1ccccc1C1CCN(CCCOc2ccc(ONS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.71294284
21047,COc1ccccc1CC1CCN(CCN2CCN(c3ccccc3C(C)C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67247665
21048,COc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3cc4ccccc4cc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77498204
21049,COc1ccccc1N1CCN(CCNC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.79696864
21050,CSOc1ccc(OCCN2CCN(Cc3cc4ccccc4o3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6748202
21051,Cc1c[nH]c(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7086627
21052,Cc1cc(OCCN2CCCC(CCc3ccc(F)cc3)C2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.39720917
21053,Cc1cc(OCCNCc2ccc(F)cc2)ccc1ON1CCN(C=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21509756
21054,Cc1cc2c(cc1COc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.624465
21055,Cc1ccc(CC(=O)NCCOc2ccc(ON3CCN(C)CC3)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.075987436
21056,ClC1CCN(CCN2CCN(c3ccccc3Oc3ccncc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.89812136
21057,ClCCCN1CCN(Cc2cccc(Cc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72770256
21058,O=C(O)c1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44817117
21059,O=Cc1ccccc1-c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5896951
21060,O=S1(=O)CCCN1CCCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6537906
21061,O=S1(=O)N=C(CCCN2CCN(Cc3cccc(Cl)c3)CC2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5743147
21062,Oc1ccc2c(ccn2-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7456042
21063,CC(=O)Oc1ccc(OCCC(=O)Cc2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.027380293
21064,CCCOc1ccc(ON2CCC(C(=O)OCC)CC2)c(C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09174236
21065,CCCOc1ccc(ONS(C)(=O)=O)c(CC2CCc3ccccc3C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23019995
21066,CCCOc1ccc(OOC)c(N2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.45870617
21067,CCCOc1ccc(OS(=O)(=O)O)c(N2CCC(Oc3ccc(CC4CCCC4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22324282
21068,CCCOc1ccc(OS(C)(=O)=O)c(NCC2CCc3cc(OC)c(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.44199827
21069,CCCc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8268512
21070,CCCc1ccc(OC)cc1-c1cc(OCCS(C)(=O)=O)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.07454449
21071,CCNC(=O)Oc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46250486
21072,COC(=O)N1CCN(CCNC(=O)c2ccc(C)c(-c3ccccc3OC)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.17194565
21073,COC(=O)c1cc(OCCN2CCC(Cc3ccc(F)cc3)CC2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.47723955
21074,COC1CCN(CCN2CCN(c3ccccc3-n3ccc(Br)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7533431
21075,COCCCN1CCN(Cc2cccc(C3Cc4ccccc4NC3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63379735
21076,CON1CCN(CCNC(=O)c2ccc(C)c(-c3ccc([N+](=O)[O-])cc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.16927919
21077,COc1cc2c(cc1Cc1ccccc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7179399
21078,COc1cc2c(cc1OC(=O)Cc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4083292
21079,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7103437
21080,COc1cc2c(cc1OC)C1Cc3cccc(OCc4ccoc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76540035
21081,COc1ccc(Br)c(C(=O)Nc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c1OC,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.39248687
21082,COc1ccc(Br)cc1-c1nc(-c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)cn1C,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7011681
21083,COc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1ccccn1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29087803
21084,COc1ccc(OCCC(N)=O)cc1CN1CCN(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.49077693
21085,COc1ccc(OCCCC(=O)Cc2ccc3c(c2)CCCC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.14848794
21086,COc1ccc(OCCF)cc1CN1CCN(c2cccc(S(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.63731456
21087,COc1ccc(OCCN2CCC(N3CCCc4c(C)cccc43)C2=O)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16138956
21088,COc1ccc(OCCNC(=O)Cc2ccc3c(c2)CCCC3)cc1OS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.040740114
21089,COc1ccc(OCCNS(=O)(=O)c2ccc(C(C)C)cc2)cc1OC1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.10777472
21090,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(c2ccc(SC)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.33208546
21091,COc1ccc(OCCS(C)(=O)=O)cc1CC(=O)Cc1ccc2c(c1)NCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.1325077
21092,COc1ccc2c(OCc3cccc4c3CN3CCc5cc(O)c(OC)cc5C3C4)cccc2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7879784
21093,COc1cccc(Cc2cccc3c2CN2CCc4cc(O)c(C)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5561343
21094,COc1cccc2c1CN1CCc3cc(C(=O)Nc4ccccc4)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3600837
21095,COc1cccc2c1CN1CCc3cc(Cc4ccc(N(C)C)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.721844
21096,COc1ccccc1CN1CCN(CCCOc2ccc(OC)c(S(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5289654
21097,COc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccn4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8823135
21098,COc1ccccc1N1CCN(CCN2CCC(n3cc(C)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.86249846
21099,CSOc1ccc(OCCN2CCC(Cc3ccc(OC4CCCC4)c(C(N)=O)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.45689553
21100,Cc1cc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c[nH]1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7152469
21101,Cc1cc(OCCC(=O)COc2ccccc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.019285826
21102,Cc1cc(OCCCNCCC2Oc3ccccc3C3CCC2C3)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.19396642
21103,Cc1cc(OCCF)ccc1ONCS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.04057028
21104,Cc1cc(OCCN2CCC(=O)N(c3ccccc3)C2)ccc1OC=S(=O)(O)O,[*]CCOc1ccc(O[*])c([*])c1,0.2671866
21105,Cc1cc(OCCN2CCC3(CC2)C(=O)NCN3c2ccccc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.44685274
21106,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCC(Oc2ccc(CC3CCCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1952332
21107,Cc1cc2c(cc1OCc1cccnc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6585659
21108,Cc1cccc(Cc2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74892825
21109,Cc1ccccc1N1CCN(CCN2CCC(C3CC3c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6085505
21110,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cnc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.63566613
21111,Cc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.57128346
21112,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)Oc1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.530752
21113,O=C(Cc1ccccc1)c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53808314
21114,O=C(NCc1ccccc1)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48700988
21115,O=[N+]([O-])c1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4815971
21116,Oc1ccccc1CCCN1CCN(Cc2cccc(CF)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58147895
21117,CC(=O)NC(C)c1cccc(C2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.60722584
21118,CC(=O)OCCCN1CCN(Cc2cccc(N3C(=O)c4ccccc4C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48072633
21119,CC(C)c1ccccc1N1CCN(CCN2CCC(C(O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7240721
21120,CCCCN1CCN(Cc2cccc(CC(=O)NCc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.29344845
21121,CCCCN1CCN(Cc2cccc(Cc3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6709383
21122,CCCOc1ccc(OCCF)c(CCN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8673501
21123,CCCOc1ccc(OCN2CCC(c3ccc(F)cc3)CC2)c(N)c1,[*]CCOc1ccc(O[*])c([*])c1,0.60383564
21124,CCCOc1ccc(OF)c(CCCN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8628868
21125,CCCOc1ccc(ON2CCN(c3ccc(F)cc3)CC2)c(OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26151806
21126,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(Cc3ccc(F)cc3)C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25000554
21127,CCCOc1ccc(OOC)c(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33889148
21128,CCCOc1ccc(OS(C)(=O)=O)c(C(CCc2ccc3c(c2)NC(=O)CC3)OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23167667
21129,CCCOc1ccc(OS(C)(=O)=O)c(NCCc2ccc(C(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.052755967
21130,CN(C)C(=O)NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77162766
21131,COC(=O)c1ccccc1N1CCN(CCNC(=O)c2ccc(OC)c(OC)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.69329405
21132,COC1CCN(CCN2CCN(c3ccccc3-c3cc(Br)ccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78933024
21133,COC1CCN(CCN2CCN(c3ccccc3S(=O)(=O)c3ccc4ncccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.568089
21134,COCCCN1CCN(Cc2cccc(CNC(=O)C3CCCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5282858
21135,COCCOc1ccc(OC)c(CCOc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25592396
21136,COCCOc1ccc(ON2CCC(Nc3ccc(C(F)(F)F)cc3OC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27215335
21137,COc1cc2c(cc1C(C)=O)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6077416
21138,COc1cc2c(cc1O)C1Cc3cccc(CCc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79303277
21139,COc1cc2c(cc1OCc1ccc(CO)cc1)C1Cc3cccc(Cc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5579882
21140,COc1ccc(-c2cc(C(=O)NCCN3CCN(Cl)CC3)ccc2OC)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27588442
21141,COc1ccc(-c2ccc(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)nc2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75568134
21142,COc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c(C)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63544565
21143,COc1ccc(Nc2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.423838
21144,COc1ccc(OCCF)cc1N1CCN(C(=O)Cc2ccc3ccccc3c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.08826573
21145,COc1ccc(OCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4533627
21146,COc1ccc(OCCS(C)(=O)=O)cc1C(O)CCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.17774577
21147,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Oc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.32676354
21148,COc1ccc(Oc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.80527437
21149,COc1ccc2c(c1)CCCC2c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81578773
21150,COc1cccc(CN2CCN(CCCCc3ccc4cccc-4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63605416
21151,COc1ccccc1-c1cc(C(=O)NCCN2CCN(F)CC2)ccc1OS(C)(=O)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3346927
21152,COc1ccccc1N1CCN(CCN2CCC(c3cccc(C(F)(F)F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73250043
21153,CS(=O)(=O)NCCOc1ccc(OF)c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17916892
21154,CSc1cc(OCCF)ccc1OCN1CCC(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.56479555
21155,Cc1cc(OCCN2CCC(C(=O)Nc3ccc(F)c(F)c3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.21921672
21156,Cc1cc(OCCN=S(C)(=O)O)ccc1OCNc1ccc(C2CCCCN2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.086124495
21157,Cc1cc(OCCNCc2ccccc2)ccc1OC(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1461491
21158,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(Cc2ccc(C3CNC(=O)C3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19009581
21159,Cc1cc(OCCNS(C)(=O)=O)ccc1ONCc1cccs1,[*]CCOc1ccc(O[*])c([*])c1,0.07670618
21160,Cc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65641516
21161,Cc1ccccc1N1CCN(CCN2CCC(N3CCN(c4ccc(F)cc4)C3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5701329
21162,ClC1CCN(CCN2CCN(c3ccccc3Cc3cncs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7878308
21163,Fc1cccc(CN2CCN(CCCc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7474904
21164,Nc1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6894845
21165,O=C1c2ccccc2S(=O)(=O)N1CCc1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6095233
21166,O=c1ccc2ccc(Cc3cccc(CN4CCN(CCCF)CC4)c3)cc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6686503
21167,OCc1ccc(Oc2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72294396
21168,Oc1cc2c(cc1Cl)CCN1Cc3c(COc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7347334
21169,Oc1nc2ccccc2cc1C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80585766
21170,c1ccc(OCCCN2CCN(Cc3cccc(-c4cc5ccccc5o4)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.71563256
21171,CC(C)(C)CCCN1CCN(Cc2cccc(CNC(=O)c3cc4ccccc4s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.40590414
21172,CC1c2ccccc2CN1C(=O)Cc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63351536
21173,CCC(=O)Oc1cccc2c1CN1CCc3cc(Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52054685
21174,CCCOc1ccc(OCCNC(=O)c2ccccc2OC)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.043976348
21175,CCCOc1ccc(OCN2CCN(C3CCCCC3)C2=O)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24707478
21176,CCCOc1ccc(OCN2CCN(Cc3ccccc3OC)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5304095
21177,CCCOc1ccc(ON2CCC(C)(O)CC2)c(-c2cc(F)ccc2C(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20824021
21178,CCCOc1ccc(ON2CCC(c3ccccc3OC)CC2)c(N)c1,[*]CCOc1ccc(O[*])c([*])c1,0.46837848
21179,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(c3ccc(C)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15331137
21180,CCCOc1ccc(ONC)c(N2CCN(c3ccccc3C(C)=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17334223
21181,CCCOc1ccc(ONS(C)(=O)=O)c(NS(=O)(=O)c2ccc(C(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06014622
21182,CCCOc1ccc(OOC)c(N2CCC(c3ccccc3)C(=O)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2954718
21183,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(Cc3cccc(F)c3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22186556
21184,CCCOc1ccc(OS(N)(=O)=O)c(NC(=O)Cc2ccc3c(c2)CC(C=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1620632
21185,CCOc1ccc(CNCCOc2ccc(ONS(C)(=O)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.14574897
21186,CCc1ccc(CS(=O)(=O)NCCOc2ccc(OS(C)(=O)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.10182103
21187,CCc1cccc2c1CN1CCc3cc(OCc4ccc(C)cc4)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64189976
21188,CNC(=O)CCOc1ccc(OC)c(Cc2ccc(Cl)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.012583696
21189,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3c(O)ccc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6888824
21190,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4oc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7756037
21191,COCCCN1CCN(Cc2cccc(N3CC(C)(C)c4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6078695
21192,COCCOc1ccc(OC)c(N2CCC(c3cccc(Cl)c3F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3826167
21193,COOc1ccc(OCCNC(=O)Cc2cccnc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.017998226
21194,COc1cc(C(=O)NCCN2CCN(O)CC2)ccc1-c1ccccc1Br,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3085343
21195,COc1ccc(OCCC=Cc2ccc(F)cc2)cc1S(=O)(=O)N(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.13611478
21196,COc1ccc(OCCN(C)C)cc1N1CCN(c2cccc(C(F)(F)F)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4331408
21197,COc1ccc(OCCN2CCC(Oc3ccc(SC)cc3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5457109
21198,COc1ccc(OCCN2CCC(c3ccc(F)cc3)CC2)cc1C(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.68273145
21199,COc1ccc(OCCN2CCC(c3ccccc3C=O)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6206341
21200,COc1ccc(OCCN2CCN(c3ccccc3C(C)C)CC2)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.72098565
21201,COc1ccc(OCCN2CCN(c3ccccc3F)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6853806
21202,COc1ccc(OCCS(C)(=O)=NO)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.03861048
21203,COc1ccc2c(c1)CC(CCNCCOc1ccc(OOS(C)(=O)=O)c(C)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.3157824
21204,COc1cccc(CN2CCN(CCCC(=O)Nc3cccc4ccccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.23509848
21205,COc1cccc(CN2CCN(CCCN3CCCc4ccccc4C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7354425
21206,COc1ccccc1-c1cc(C(=O)NCCN2CCN(OS(=O)(=O)[O-])CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33235985
21207,COc1ccccc1C(C)NCCOc1ccc(OS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10520294
21208,COc1ccccc1N1CCN(CCN2CCC(CN=CC3Nc4ccccc4C(=O)N3c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6908743
21209,COc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccc4)c(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80403745
21210,CSOc1ccc(OCCN2CCC(Cc3cc4ccccc4oc3=O)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.4552315
21211,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)CCC(=O)N4)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.46163297
21212,Cc1cc(OCCN2CCC(O)(c3ccc(Cl)cc3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4120799
21213,Cc1cc(OCCN2CCC(OCc3ccccc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6107187
21214,Cc1cc(OCCNC(=O)CCc2ccc3c(c2)NC(=O)CC3)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.042910334
21215,Cc1cc(OCCNS(=O)(=O)Cc2ccc(F)cc2)ccc1ON1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.12545265
21216,Cc1cc(OCCNS(=O)(=O)c2ccccc2F)ccc1ON1CCC(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28365722
21217,Cc1cc(OCCc2cccc(OCC(F)(F)F)n2)ccc1ON1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.123494975
21218,FCCOCCCN1CCN(Cc2cccc(-c3cc4ccccc4[nH]3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6849662
21219,Nc1ccc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)nc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7864709
21220,O=C(c1cc(F)ccc1O)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70563203
21221,O=CNc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5667429
21222,Oc1cc2c(cc1-c1cccc(OCc3ccccc3)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7002225
21223,Oc1cc2c(cc1O)C1Cc3cccc(-c4ccncc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63182586
21224,C=Cc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6896352
21225,CC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccccn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.735279
21226,CCCOc1ccc(OC(N)=O)c(N2CCC(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24138044
21227,CCCOc1ccc(OOC)c(CN2CCC(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6968691
21228,CCCOc1ccc(OS(C)(=O)=O)c(C(C)COc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05233889
21229,CCOc1cc2c(cc1OC)CCN1Cc3c(cccc3C(=O)NCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40307567
21230,CCOc1ccccc1N1CCN(CCCOc2ccc(OC)c(OS(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.9240514
21231,CCc1ccccc1N1CCN(CCN2CCC(c3n[nH]c4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.733369
21232,CN1CCN(CCNC(=O)c2ccc(Br)c(-c3ccccc3[N+](=O)[O-])c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27082512
21233,COC1CCN(CCN2CCN(c3ccccc3-c3cccc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82435673
21234,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccc(-c4ccccn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.63411814
21235,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccc(C)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5851334
21236,COC1CCN(CCN2CCN(c3ccccc3Cc3ccc(-c4ccccc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7018509
21237,COC1CCN(CCN2CCN(c3ccccc3Cc3ccc4ncccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7065129
21238,COCCCN1CCN(Cc2cccc(-c3ccccc3O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5856099
21239,COCCOc1ccc(OCOc2ccc(F)cc2)c(CN2CCCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28187484
21240,CONN1CCN(CCNC(=O)c2ccc(O)c(-c3cccc(Cl)c3Cl)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.28405204
21241,COc1cc2c(cc1C=O)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75681174
21242,COc1cc2c(cc1OC)C1Cc3cccc(CNc4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54638106
21243,COc1cc2c(cc1OC)C1Cc3cccc(O[N+](=O)c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7625044
21244,COc1cc2c(cc1OCc1ccc(C#N)cc1)CCN1Cc3c(CO)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7242696
21245,COc1cc2c(cc1OCc1ccco1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64780456
21246,COc1ccc(OCCC(N)=O)cc1CCOc1ccccc1C(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.057117425
21247,COc1ccc(OCCF)cc1N1CCC(NS(=O)(=O)c2cccc(C(C)C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.30418032
21248,COc1ccc(OCCNCCc2ccc3c(c2)CCC(=O)N3)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.14736144
21249,COc1cccc(CN2CCN(CCCC3=CC4=CC=CC=CC(=C3)S4)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.45121363
21250,COc1cccc(CN2CCN(CCCCC3(C)CCNC3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58788264
21251,COc1cccc(CN2CCN(CCCCc3cc4ccccc4[nH]3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67087185
21252,COc1cccc2c1CN1CCc3cc(C)c(-c4cccc(CNC(C)=O)c4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35330868
21253,COc1ccccc1CCCCN1CCN(Cc2cccc(C(=O)O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5771604
21254,COc1ccccc1Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7516592
21255,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3cc4ccccc4s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82614285
21256,COc1ccccc1N1CCN(CCN2CCC(c3ccc(C=O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8655782
21257,COc1ccccc1N1CCN(CCN2CCC(c3ncc(-c4ccccc4)s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84011346
21258,COc1ccnc(-c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79502326
21259,CS(=O)(O)=Nc1cccc(CCCN2CCN(Cc3cccc(F)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5866713
21260,CSc1ccc(C(=O)NC2CCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.47569272
21261,Cc1cc(OCCF)ccc1ONS(=O)(=O)c1cccc(CCN)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08782225
21262,Cc1cc(OCCNC(=O)OCc2ccccc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.04191687
21263,Cc1cc(OCCNCCc2ccc(S(C)(=O)=O)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.116521
21264,Cc1cc(OCCOS(C)(=O)=O)ccc1ON1CCCC(COc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.22711846
21265,Cc1cc(OCCS(C)(=O)=O)ccc1OOC(=O)CCc1ccc2c(c1)CCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.1139124
21266,Cc1cc(OCCS(N)(=O)=O)ccc1ON1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2504048
21267,Cc1cccc2c1CN1CCc3cc(-c4cccc(Cl)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5978439
21268,ClC1CCN(CCN2CCN(c3ccccc3-c3cc(-c4ccccc4)cnn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8260013
21269,N#CC1CCN(CCN2CCN(c3ccccc3-n3ccc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75657254
21270,N#C[N+](=O)Cc1ccc(Cc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59926134
21271,O=C(CCc1ccccc1)NCc1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.36418372
21272,O=C(NCCN1CCN(Cl)CC1)c1ccc(Cl)c(-c2ccccc2)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.41253537
21273,O=C1CC2(CCCCC2)CC(=O)N1CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66659814
21274,O=S(=O)(Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)C(F)(F)F,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48425752
21275,Oc1cc2c(cc1OCc1ccncc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6091574
21276,Oc1cccc2c1CN1CCc3cc(-c4ncc[nH]4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6531466
21277,c1ccc(CCCN2CCN(Cc3cccc(-c4cccs4)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7027095
21278,CC(=O)Oc1ccccc1N1CCN(CCN2CCC(c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7199214
21279,CC1(c2cccc(CN3CCN(CCCCl)CC3)c2)C(=O)NCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6311829
21280,CC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccc(Cl)cc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77557886
21281,CCCOc1ccc(OC)c(CNCC2Cc3cc(C(C)=O)ccc3CO2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21902527
21282,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(C(=O)Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17345953
21283,CCOC(=O)c1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44880772
21284,CCc1cccc(CN2CCN(CCCc3cc(-c4ccccc4)no3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5819185
21285,CN=CCOc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7718243
21286,COC(=O)C1CCCCC1c1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51485544
21287,COC(=O)c1ccc(COc2cc3c(cc2OC)CCN2Cc4c(cccc4OC)CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43405965
21288,COC1CCN(CCN2CCN(c3ccccc3-c3nc(O)nc4cc(F)ccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7354309
21289,COCCCN1CCN(Cc2cccc(CNC(=O)c3cc4cccccc-4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4199756
21290,COCCCN1CCN(Cc2cccc(CNS(=O)(=O)c3cccc(Cl)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46507454
21291,CON1CCN(CCNC(=O)c2ccc(Br)c(-c3ccccc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.39300466
21292,CON=Cc1cc2c(cc1O)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5891306
21293,COOc1ccc(OCCNCCc2cccc3c2NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.17127104
21294,COOc1ccc(OCCNS(=O)(=O)c2cc(F)ccc2OC)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.067902595
21295,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccccc1CN(C)C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.284262
21296,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1OCc1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31319395
21297,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccc5cc[nH]c5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75391287
21298,COc1cc2c(cc1OC)C1Cc3cccc(CNC(=O)c4ccc5cc[nH]c5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45923898
21299,COc1cc2c(cc1[N+](=O)[O-])CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6162048
21300,COc1ccc(OCCC=[SH]O)cc1NC(=O)Cc1ccc(OC2CCNCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.05008077
21301,COc1ccc(OCCCNC(=O)c2ccc(F)c(F)c2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.06734158
21302,COc1ccc(OCCCS(=O)(=O)c2cccc(C(C)C)c2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.093736686
21303,COc1ccc(OCCF)cc1CN1CCC(NS(=O)(=O)c2cccc(Cl)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.609305
21304,COc1ccc(OCCN2CCC(Cc3cccc(NC(C)=O)c3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.34099156
21305,COc1ccc(OCCN2CCC(F)CC2)cc1S(=O)(=O)N1CCC(C(F)(F)F)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.44885415
21306,COc1ccc(OCCN2CCCCC2)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2174488
21307,COc1ccc(OCCN2CCN(c3ccccc3OCC(C)=O)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.77541786
21308,COc1ccc(OCCNC(C)=O)cc1NCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.037215974
21309,COc1ccc(OCCNCCc2cccc3c2CCC(=O)N3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1560889
21310,COc1ccc(OCCNCCc2cccs2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.18983516
21311,COc1ccc(OCCc2ccccc2C(C)=O)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.036778927
21312,COc1ccc2cncc(Cc3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)c2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7609917
21313,COc1cccc(-c2csc(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)n2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6724547
21314,COc1cccc2c1CN1CCc3cc(O)c(C(=O)OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44480187
21315,COc1ccccc1-c1ccc(CCCN2CCN(Cc3cccc(Cl)c3)CC2)o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5612208
21316,COc1ccccc1N1CCN(CCN2CCC(Oc3cc(F)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8798107
21317,CS(=O)(=O)NOc1ccc(OCCF)cc1N1CCCC(CCc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.25539297
21318,CSOc1ccc(OCCNC(=O)Cc2ccc3ccccc3c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.026121527
21319,Cc1cc(OCCC(O)COc2ccccc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.03531218
21320,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCS4)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.52014494
21321,Cc1cc(OCCNCC2CCc3c(F)cccc3C2O)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.23932564
21322,Cc1cc(OCCNS(C)(=O)=O)ccc1OC(C)COc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.097843915
21323,Cc1cc2c(cc1O)C1Cc3cccc(OS(=O)(=O)C(F)(F)F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58579415
21324,Cc1ccccc1N1CCN(CCN2CCC(C#N)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7567563
21325,Clc1cc2c(cc1C=NOCc1ccccc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68666714
21326,FC(F)(F)CCCN1CCN(Cc2cccc(-c3cccc(-c4ccccc4)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62931466
21327,FC(F)(F)CCCN1CCN(Cc2cccc(CNc3cccc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.41777185
21328,FC(F)(F)c1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7996066
21329,Fc1cccc(CN2CCN(CCCc3cccs3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65301454
21330,O=C(NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)c1ccc2ccccc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87533337
21331,OCc1cc2c(cc1F)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66242695
21332,CC(=O)OCCOc1ccc(OCN2CCC(C(=O)N3c4ccccc4CC3C)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28888798
21333,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8345108
21334,CCCOc1ccc(OC(N)=O)c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10496293
21335,CCCOc1ccc(ON)c(C(=O)COc2ccccc2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04148436
21336,CCCOc1ccc(ONCCc2ccccc2)c(N(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13570611
21337,CCCOc1ccc(OS(C)(=O)=O)c(NCCOc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.066893235
21338,CCCOc1ccc(OS(C)(=O)=O)c(NCCc2ccc3c(c2)NC(=O)CCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15813285
21339,CCCOc1ccc(OS(C)(=O)=O)c(OC2CCCc3ccc(OCC4CCCC4)cc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3220322
21340,CCCc1ccccc1N1CCN(Cc2cc(OCCF)ccc2OOC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.85050714
21341,COCCCN1CCN(Cc2cccc(C3C=Nc4ccccc4O3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64024377
21342,COCCCN1CCN(Cc2cccc(CC(=O)NC3CCCc4ccsc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.38032246
21343,CON1CCN(CCNC(=O)c2ccc(C(=O)O)c(-c3ccccc3C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31547087
21344,COOc1ccc(OCCF)cc1CCN1CCC(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7753029
21345,COOc1ccc(OCCN2CCN(Cc3cccc(NC(C)=O)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.2168532
21346,COc1cc2c(cc1C(=O)NCc1ccc(C)cc1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3956179
21347,COc1cc2c(cc1C(=O)Nc1cccc(Cl)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.28949985
21348,COc1cc2c(cc1O)C1Cc3cccc(NC(=O)OCc4ccc(C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32861727
21349,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)N(C)C)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63207835
21350,COc1cc2c(cc1OC)C1Cc3cccc(Cc4cc(C#N)c5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6257557
21351,COc1cc2c(cc1OC)C1Cc3cccc(OC(=O)c4ccc5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4794816
21352,COc1cc2c(cc1OC)CC(COc1cc(OCCS(C)(=O)=O)ccc1OC)CCC2,[*]CCOc1ccc(O[*])c([*])c1,0.28610715
21353,COc1cc2c(cc1OCc1cccc(CO)c1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67822593
21354,COc1ccc(C(=O)NCCN2CCN(c3ccccc3)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.77294326
21355,COc1ccc(CC(=O)NCCOc2ccc(OC)c(NS(C)(=O)=O)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.017195906
21356,COc1ccc(OCCC(=O)CCc2ccccc2)cc1CN1CCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6499924
21357,COc1ccc(OCCC(=O)Nc2ccccc2OC)cc1CF,[*]CCOc1ccc(O[*])c([*])c1,0.018317977
21358,COc1ccc(OCCNC(C)=O)cc1C(C)COc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.111326315
21359,COc1ccc(OCCNCC2CCC(c3ccccc3OC)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.1126607
21360,COc1ccc(OCCNS(C)(=O)=O)cc1CC(=O)c1ccc(CCF)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.038734782
21361,COc1ccc(OCCc2ccc(C(C)=O)cc2)cc1N1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31250557
21362,COc1cccc(-c2cc3c(cc2O)C2Cc4cccc(C)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61443925
21363,COc1cccc(CN2CCN(CCCCc3cccc4ccc(OC)cc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66180664
21364,COc1cccc(CN2CCN(CCCCn3c(=O)[nH]c4ccccc4c3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48497823
21365,COc1cccc2c1CN1CCc3cc(-c4ccccc4)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6654754
21366,COc1cccc2c1CN1CCc3cc(Cc4cnc5ccccc5c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6187125
21367,COc1ccccc1N1CCN(CCN2CCC(n3cc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8579067
21368,CS(=O)(=O)CCOc1ccc(OF)c(CN2CCC(c3ccc(OCC(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4784219
21369,CS(=O)(=O)c1ccccc1-c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5634664
21370,CSc1cccc2c1CN1CCc3cc(C#N)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70550567
21371,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.6828386
21372,Cc1cc(OCCNS(C)(=O)=O)ccc1ONCCc1cccc2c1NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.09381559
21373,Cc1cccc(C(=O)NCCOc2ccc(ONS(C)(=O)=O)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.015882714
21374,FC(F)(F)Oc1cccc(CN2CCN(CCCc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6450239
21375,Fc1ccc(Oc2cccc(CN3CCN(CCCC(F)(F)F)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5961128
21376,N#Cc1ccccc1NC(=O)Oc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36016935
21377,O=C(Nc1cc(Cl)ccc1Cl)Oc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3206881
21378,O=C(O)c1ccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4346512
21379,O=C1CC(O)c2ccccc2N1CCCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5478497
21380,O=C1CCc2ccc(CCCCN3CCN(Cc4cccc(Cl)c4)CC3)cc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.82426596
21381,O=S(=O)(c1ccccc1F)C1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69347
21382,O=[N+]([O-])C1CCN(CCN2CCN(c3ccccc3-c3cccc(O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64177704
21383,Oc1c(-c2cccc(CN3CCN(CCCCl)CC3)c2)ccc2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69187206
21384,Oc1cc2c(cc1O)C1Cc3cccc(CCc4ccc(F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77932733
21385,[O-]Cc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72189635
21386,CC=S(O)(O)=Nc1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6905765
21387,CCCCN1CCN(Cc2cccc(C3CCc4ccccc4C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64389014
21388,CCCOc1ccc(C2CCN(c3cc(OCCS(C)(=O)=O)ccc3OC)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.28243443
21389,CCCOc1ccc(OC)c(NS(=O)(=O)c2ccc3ccccc3c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04274511
21390,CCCOc1ccc(ON2CCN(C(=O)c3ccc(F)cc3)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.111701526
21391,CCCOc1ccc(ON2CCN(C)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4029276
21392,CCCOc1ccc(ON=S(C)(=O)O)c(NCC2CCc3ccc(S(C)(=O)=O)cc3CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22838603
21393,CCCOc1ccc(OO)c(N2CCN(c3ccccc3C(C)C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27088672
21394,CCCOc1ccc(OOS(C)(=O)=O)c(CN2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.55382836
21395,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)COc2ccccc2C2CCCN2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.081369415
21396,CCCOc1ccc(OS(N)(=O)=O)c(NCC2CCCCN2c2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24702372
21397,CCCOc1ccc(OSC)c(N2CCC(c3ccc(SC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3438609
21398,CCCOc1ccc(OSC)c(NS(=O)(=O)c2ccc(CCC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.042569477
21399,CCOc1ccc(C2CCN(Oc3ccc(OCCN=S(C)(=O)O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.15066728
21400,CCOc1ccc2c(c1)CC(CNc1cc(OCCS(N)(=O)=O)ccc1OC)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.30653447
21401,CCOc1cccc2c1CN1CCc3cc(OCc4ccccc4)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7815231
21402,COC1CCN(CCN2CCN(c3ccccc3-c3ccn(C)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74466693
21403,COC1CCN(CCN2CCN(c3ccccc3-n3cc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83584315
21404,COC1CCN(CCN2CCN(c3ccccc3Cn3cc(F)ccc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7576511
21405,COCCCN1CCN(Cc2cccc(-c3ccc4c(c3)CCc3ccccc3C4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70145947
21406,COCCCN1CCN(Cc2cccc(N3C(=O)CCc4c(O)cccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.583298
21407,COCCOc1ccc(OC)c(N2CCC(Oc3ccccc3CCF)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4721245
21408,COc1cc2c(cc1-c1cc3ccccc3[nH]1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67809016
21409,COc1cc2c(cc1O)C1Cc3cccc(-c4ccccc4F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68669033
21410,COc1ccc(COc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7466523
21411,COc1ccc(OCCC(=O)CCc2ccc3c(c2)CC(=O)CC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1090131
21412,COc1ccc(OCCC(C)=O)cc1Cc1ccc(Cl)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.025491118
21413,COc1ccc(OCCC2CCCN(C(=O)c3ccccc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10815995
21414,COc1ccc(OCCCF)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07439756
21415,COc1ccc(OCCCNC(=O)c2ccccc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.06294775
21416,COc1ccc(OCCF)cc1NC(=O)c1ccc(S(C)(=O)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.026868561
21417,COc1ccc(OCCN2CCC(COc3ccc(F)cc3)CC2)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6749432
21418,COc1ccc(OCCN=C[SH](C)(=O)O)cc1NCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.04847009
21419,COc1ccc(OCCNC(C)=O)cc1NCCc1cccs1,[*]CCOc1ccc(O[*])c([*])c1,0.038791724
21420,COc1ccc(OCCNS(C)(=O)=O)cc1C1CCC(CN2CCC(Cc3ccc(F)cc3)CC2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.464922
21421,COc1ccc(OCCOC2=CC=CC3NCCCCC3C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13570692
21422,COc1ccc(OCCS(N)(=O)=O)cc1N1CCC(c2cc(C(F)(F)F)ccc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29364625
21423,COc1cccc(C(=O)C2CCN(CCOc3ccc(OC)c(SC)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5179073
21424,COc1ccccc1Cc1cccc2c1CN1CCc3cc(OCc4ccccc4)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73677933
21425,COc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3ccc4nccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8287645
21426,COc1ccccc1N1CCN(CCN2CCC(c3cccc(-c4ccc(O)nc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8186482
21427,CSCCCN1CCN(Cc2cccc(Cc3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5991125
21428,Cc1cc(OCCCCCc2ccc(OC3CCNCC3)cc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16701917
21429,Cc1cc(OCCCN2CCCC(Cc3ccc4ccccc4c3)C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.36747766
21430,Cc1cc(OCCCOCc2ccccc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.102591954
21431,Cc1cc(OCCN2CCC(Cc3ccc(F)cc3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.60634923
21432,Cc1cc(OCCN2CCC(Oc3ccc(F)cc3)CC2)ccc1OS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.49694672
21433,Cc1cc(OCCN2CCC(c3ccccc3OC3CCC3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.6972341
21434,Cc1ccccc1N1CCN(CCN2CCC(c3nc(C(=O)N(C)C)cs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.614454
21435,Clc1ccccc1N1CCN(CCN2CCC(OCc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8332033
21436,FC(F)(F)Oc1cccc(CN2CCN(CCCc3ccc4ccccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5921771
21437,Fc1ccc(-c2cnc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)cn2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69426244
21438,Nc1ccc(C(=O)NCCN2CCN(Cl)CC2)cc1-c1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.42888263
21439,O=C1c2ccccc2N(c2cccc(CN3CCN(CCCCl)CC3)c2)C1C=Cc1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6012526
21440,C#Cc1cccc(Cc2cccc3c2CN2CCc4cc(C)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52771086
21441,CC(=O)N(c1cccc(CN2CCN(CCCCl)CC2)c1)C1Cc2ccccc2C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5828239
21442,CC(C)Oc1ccccc1N1CCN(CCN2CCC(n3c(-c4ccc(F)cc4)cnc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77630687
21443,CCC1Cc2ccccc2N1c1cccc(CN2CCN(CCCOC)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62005806
21444,CCCNCCOc1ccc(OC)c(NS(=O)(=O)c2cc(C(F)(F)F)ccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13176027
21445,CCCOc1ccc(OCN2CCc3cc(OC)c(OC)cc3C2)c(C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.46866864
21446,CCCOc1ccc(OF)c(C(=O)Nc2cc(C(N)=O)ccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.048567053
21447,CCCOc1ccc(OF)c(CNc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10776917
21448,CCCOc1ccc(ON=S(C)O)c(CCOc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20122358
21449,CCCOc1ccc(ONCC2CCc3ccc(C(C)=O)cc3C2)c(SC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29182416
21450,CCCOc1ccc(OSC)c(NC(=O)COc2ccc(CCCF)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.010119076
21451,CCOc1ccccc1N1CCCN(c2cc(OCCC(N)=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.16952041
21452,CCc1ccccc1C1CCN(c2cc(OCCNC=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3195643
21453,CN(C)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8304025
21454,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(O)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78401
21455,COC1CCN(CCN2CCN(c3ccccc3-n3ccc(-c4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79105645
21456,COCCCN1CCN(Cc2cccc(Cc3ccc(-c4ccccn4)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.518323
21457,COCCOc1ccc(OC)c(CCC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05583325
21458,COCCOc1ccc(OC)c(CN2CCN(C(C)=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10423434
21459,CONCc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6019624
21460,COc1cc2c(cc1O)C1Cc3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.29520717
21461,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)OCc3cccc4ccccc34)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49434897
21462,COc1cc2c(cc1OC)C1Cc3cccc(C=Cc4ccc(Cl)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8186066
21463,COc1cc2c(cc1OCc1cc[nH]c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76600915
21464,COc1ccc(OCCN2CCC(Cc3ccc4sccc4c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.47725365
21465,COc1ccc(OCCN2CCC(NC(=O)c3ccc(F)c(F)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4518923
21466,COc1ccc(OCCN2CCCC(CCF)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.44857323
21467,COc1ccc(OCCN2CCCC(c3ccccc3)CC2)cc1SC(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.65522844
21468,COc1ccc(OCCS(C)(=O)=O)cc1Cc1ccc(OCC2CCCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.14765376
21469,COc1cccc(COc2cc3c(cc2OC)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72283214
21470,COc1ccccc1N1CCN(CCN2CCC(c3cc(Br)ccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7919619
21471,COc1ccccc1N1CCN(CCNC(=O)c2ccc(C(C)=O)c(C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.90039825
21472,COc1ccccc1N1CCN(CCNC(=O)c2ccc(S(=O)(=O)[O-])c(C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.7964609
21473,COc1ccccc1N1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.8082937
21474,Cc1cc(O)n(C2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7122466
21475,Cc1cc(OCCCN2CCC(Cc3ccc4ccccc4c3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.60726345
21476,Cc1cc(OCCCN2CCN(CC(C)C)C2=O)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.22975199
21477,Cc1cc(OCCCNCc2ccccc2)ccc1OOCC1CCCc2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.3729648
21478,Cc1cc(OCCF)ccc1ON1CCCC(c2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.32289258
21479,Cc1cc(OCCN2CCN(Cc3cccc(OC(C)C)c3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.34746456
21480,Cc1cc(OCCNC(=O)COc2ccc(C=O)cc2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.02372694
21481,Cc1cc(OCCNCS(=O)(=O)c2ccccc2F)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.111614384
21482,Cc1cc(OCCOC(C)C)ccc1OCN1CCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.47513387
21483,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCC(O)(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25032416
21484,Cc1cc(OCCc2ccc(F)cc2)ccc1OCN1CCN(C)C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.28191528
21485,Cc1ccc(Oc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)nc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7643656
21486,Cc1ccccc1N1CCN(CCN2CCC(Nc3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7231306
21487,Clc1cccc(CN2CCN(CCCCc3nc4ccccc4s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7926524
21488,N#COc1ccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73354405
21489,O=C(NCc1cccc(Cl)c1)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36149305
21490,O=C(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1ccc2cccnc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.48501322
21491,ON=CCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65159667
21492,Oc1cc2c(cc1C(F)(F)F)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6855402
21493,Oc1ccccc1N1CCN(CCN2CCC(c3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72820354
21494,CC(=O)Nc1ccc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)nc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.60913634
21495,CC(=O)c1ccc(Cc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48662555
21496,CC=Nc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7422584
21497,CCCC(=O)Nc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.22128066
21498,CCCCNc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5137315
21499,CCCOc1ccc(OCO)c(N2CCCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25778195
21500,CCCOc1ccc(ON)c(N2CCC(OCC)(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24000064
21501,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCCCC2CC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16171668
21502,CCCOc1ccc(OOC)c(CCCc2ccco2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10310726
21503,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3cccc(CC)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33025908
21504,CCCOc1ccc(OS(N)(=O)=O)c(-c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0834017
21505,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2844495
21506,CCOc1cc2c(cc1OC)CCN1Cc3c(cccc3-c3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61864877
21507,CCc1ccccc1N1CCN(CCN2CCC(n3c(O)nc4cc(F)ccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7314911
21508,CNCCOc1ccc(OC)c(S(=O)(=O)c2ccc(C(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.064957045
21509,COCc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7555426
21510,COCc1cccc(Cc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7019172
21511,CON1CCN(CCNC(=O)c2ccc(C)c(-c3cccc([N+](=O)[O-])c3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.21328242
21512,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1OS(C)(=O)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.25015593
21513,COc1cc2c(cc1C)CCN1Cc3c(cccc3-c3ccccc3C)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6023039
21514,COc1cc2c(cc1Cc1ccc3ccccc3c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7540544
21515,COc1cc2c(cc1O)C1Cc3cccc(C[N+](=O)Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6774409
21516,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(C[N+](=O)[O-])cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5196477
21517,COc1cc2c(cc1O)C1Cc3cccc(NC(Cc4ccccc4)OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5214863
21518,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccc(CC#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6898441
21519,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(C(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7792602
21520,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(cccc3[N+](=O)[O-])CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5001907
21521,COc1ccc(C(=O)NCCN2CCN(c3ccc(C)cc3)CC2)cc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.40954345
21522,COc1ccc(CC2CCN(COc3ccc(OCCNS(C)(=O)=O)cc3C)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.37771603
21523,COc1ccc(OCCC=O)cc1N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23518947
21524,COc1ccc(OCCN2CCCCC2)cc1N[SH](C)(=O)c1cccc(Cl)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33132413
21525,COc1ccc(OCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.7641768
21526,COc1ccc(OCCN=S(C)(=O)O)cc1Cc1ccc(Cl)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06611581
21527,COc1ccc(OCCNC(=O)Cc2ccc3c(c2)CC(=O)CC3)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.06965732
21528,COc1ccc(OCCS(C)(=O)=O)cc1CCn1cc(C)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.071237125
21529,COc1cccc(CN2CCN(CCCc3cc(=O)oc4ccccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5871641
21530,COc1cccc(COc2cc3c(cc2C)CCN2Cc4c(O)cccc4CC32)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6559744
21531,COc1cccc(Oc2cccc3c2CN2CCc4cc(CO)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.763945
21532,COc1cccc2c1CN1CCc3cc(Br)c(F)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77559006
21533,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(CO[O-])CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.28936827
21534,CSc1ccc(CCOc2ccc(ONS(=O)(=O)c3ccc(C(C)C)cc3)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.062185675
21535,CSc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccccc4)ccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.806745
21536,Cc1cc(OCCCn2ccc(C(F)(F)F)c2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.086645216
21537,Cc1cc(OCCN2CCC(Nc3ccccc3Cl)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5752411
21538,Cc1cc(OCCN2CCC(OC3CCC(=O)NC3)=CC=C3C=CC(CC2)C3)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.58109677
21539,Cc1cc(OCCN2CCN(c3ccccc3OCCF)CC2)ccc1OS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.71505946
21540,Cc1cc(OCCNC(=O)c2ccc(F)cc2)ccc1ON1CCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.07727695
21541,Cc1cc(OCCNCC2CCc3ccc(F)cc3O2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.20914192
21542,O=C(c1cccc(CN2CCN(CCCCl)CC2)c1)c1ccccn1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62274784
21543,O=C1CCc2ccc(CCCN3CCN(Cc4cccc(O)c4)CC3)cc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.73127514
21544,O=CCc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6267961
21545,O=S1(CCCN2CCN(Cc3cccc(F)c3)CC2)=CCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64659756
21546,Oc1cc2c(cc1Cn1cccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78442144
21547,Oc1ccc2cc(-c3cccc(CN4CCN(CCCCl)CC4)c3)ccc2n1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69923174
21548,C=CONCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.602776
21549,C=S(O)(O)=Cc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58344775
21550,CC(=O)NOc1ccc(OCCNCC2CCc3ccc(S(C)(=O)=O)cc3C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.13633844
21551,CC(C)c1ccc(S(=O)(=O)NOc2ccc(OCCF)cc2C2(C)CCN(C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.23509032
21552,CC1CCN(CCN2CCN(c3ccccc3-c3cc(O)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7362948
21553,CCCN1CCC(Cc2cc(OCCCOCC)ccc2OOC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6185601
21554,CCCOc1ccc(ON2CCN(c3ccccc3OC)CC2)c(NS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31917927
21555,CCCOc1ccc(OS(C)(=O)=O)c(CC2CCCN(CCC)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.488821
21556,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(Cc3ccc(OC4CCCCC4)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17306218
21557,CCCOc1ccc(OS(C)(=O)=O)c(OC2CCCc3ccccc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31003445
21558,CCS(=O)(=O)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65474224
21559,COC1CCN(CCN2CCN(c3ccccc3-c3cn(-c4ccc(F)cc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7459795
21560,COCC1CCN(CCN2CCN(c3ccccc3-n3cc(-c4ccccc4)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72404474
21561,COCCCN1CCN(Cc2cccc(-c3ccc(NS(C)(=O)=O)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.44243073
21562,COCCCN1CCN(Cc2cccc(C(=O)N3Cc4ccccc4C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.612797
21563,COCCCN1CCN(Cc2cccc(COc3ccc4ccc(O)cc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49068773
21564,COCCOc1ccc(OC)c(CCCc2ccc3ccccc3c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15781277
21565,COCCOc1ccc(OC)c(N2CCC(c3ccccc3F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36337858
21566,COCc1cc2c(cc1Cc1ccc(C#N)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5461039
21567,CON1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(C(C)=O)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2062319
21568,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1COc1ccccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3395322
21569,COc1cc2c(cc1C(=O)OCc1ccc(C#N)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50627065
21570,COc1cc2c(cc1C)CCN1Cc3c(cccc3OC3CCCCC3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6522244
21571,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc5ccc(CO)cc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5761265
21572,COc1cc2c(cc1O)C1Cc3cccc(C(C)Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79033744
21573,COc1cc2c(cc1O)C1Cc3cccc(C=CO)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8446462
21574,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(OCc4ccc5c(c4)CCC(=O)N5)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43802398
21575,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)N(C)Cc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55694944
21576,COc1ccc(OCCC=O)cc1N1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.25313652
21577,COc1ccc(OCCCC(C)Cc2ccc3c(c2)NC(=O)CC3)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.26941255
21578,COc1ccc(OCCF)cc1NC(=O)c1cccc(NS(C)(=O)=O)c1F,[*]CCOc1ccc(O[*])c([*])c1,0.031909667
21579,COc1ccc(OCCN2CCC(CN3CCc4ccccc4C3)C2=O)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.49269414
21580,COc1ccc(OCCN2CCC(c3ccccc3)C(=O)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.53516716
21581,COc1ccc(OCCN2CCCC(Cc3ccc(F)cc3)C2)cc1CSS,[*]CCOc1ccc(O[*])c([*])c1,0.51711935
21582,COc1ccc(OCCN=S(C)(=O)O)cc1NC(CC1CCCNC1)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.15174809
21583,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1CN1CCC(C(=O)O)(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20475653
21584,COc1ccc(OCCNC=O)cc1N1CCCC(CCc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.23141766
21585,COc1ccc(OCCS(C)(=O)=O)cc1OC1CCN(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2623441
21586,COc1ccc2c(c1)CC(COc1ccc(OCCNS(C)(=O)=O)cc1C)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.30435723
21587,COc1cccc(-c2cc(C(=O)NCCN3CCN(OC)CC3)ccc2C)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26328018
21588,COc1ccccc1C(=O)Cc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.50235164
21589,COc1ccccc1C=Cc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6654803
21590,COc1ccccc1CCCN1CCN(Cc2cccc(-c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6570207
21591,COc1ccccc1N1CCN(CCN2CCC(c3ccc(C(F)(F)F)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.776053
21592,Cc1cc(OCCNCCc2cccs2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.12754416
21593,Cc1cc2c(cc1-c1cccc(C#N)c1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64235574
21594,Cc1ccc(C(=O)NCCN2CCN(C)CC2)cc1C(=O)OC(C)(C)C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.20962436
21595,Cc1cccc(CN2CCN(CCCc3ncc(-c4ccccc4)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5083005
21596,O=C(Nc1ccccc1)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.359409
21597,O=C(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)C1CCCCC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4531424
21598,O=C(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1ccc(O)nn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.46049857
21599,O=C(O)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36317146
21600,O=c1c2ccccc2n(Cc2cccc(CN3CCN(CCCCl)CC3)c2)c(=O)n1-c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59136134
21601,Oc1ccc2c(c1)CC(c1ccccc1N1CCN(CCN3CCC(Cl)CC3)CC1)CC2,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7027863
21602,Oc1cccc(NC2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8104206
21603,C=S(O)(O)=Nc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6833027
21604,CC(C)c1ccccc1N1CCN(CCN2CCC(c3cccc(C#Cc4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7821814
21605,CC1CCN(CCN2CCN(c3ccccc3-c3ccnc(O)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74002016
21606,CCCOc1ccc(OF)c(C(=O)Nc2cccc(NC(C)=O)c2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.017839951
21607,CCCOc1ccc(ONCO)c(CN2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.48158506
21608,CCCOc1ccc(ONS(C)(=O)=O)c(NCC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.031121016
21609,CCCOc1ccc(OS(C)(=O)=O)c(CCn2c(C)cc3ccccc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10705055
21610,CCCOc1ccc(OS(C)(=O)=O)c(OC(C)COc2ccc3c(c2)NCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28955817
21611,CCCOc1ccc(OSC)c(NC(=O)Cc2ccc3ccccc3c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0070919893
21612,CCCc1cc(OCCN2CCN(c3ccccc3OC)CC2)ccc1OOC,[*]CCOc1ccc(O[*])c([*])c1,0.931654
21613,CCOc1cccc2c1CN1CCc3cc(OC)c(-c4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7360568
21614,CNS(=O)(=O)Oc1ccc(OCCNC(=O)Cc2ccc3c(c2)CCCC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.026332447
21615,COC1CCN(CCN2CCN(c3ccccc3-c3nc4ccccc4n3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.63588494
21616,COCCOc1ccc(OC)c(N2CCCC(Cc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3548602
21617,COCCOc1ccc(OC)c(N2CCN(c3ccccc3CCF)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33870623
21618,COCCOc1ccc(OCN2CCN(C(=O)c3ccc(SC)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06521783
21619,COCc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.82606083
21620,COOc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.37801802
21621,COc1cc(Br)ccc1-c1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79511493
21622,COc1cc2c(cc1O)C1Cc3cccc(C(C)N(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71473444
21623,COc1cc2c(cc1O)C1Cc3cccc(CN4CCOCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57100266
21624,COc1cc2c(cc1O)C1Cc3cccc(Nc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49789625
21625,COc1cc2c(cc1OC)C1Cc3cccc(-c4cc(C(=O)O)cc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47146115
21626,COc1cc2c(cc1OC)C1Cc3cccc(COCc4ccc(F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.81720144
21627,COc1ccc(Cc2cccc3c2CN2CCc4cc(CO)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7080966
21628,COc1ccc(OCCCC(=O)c2ccc(F)cc2)cc1N1CCC(C(=O)O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.26691845
21629,COc1ccc(OCCCCNC(=O)c2ccc(CSC)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.04505273
21630,COc1ccc(OCCCN2CCC(Oc3ccc(F)cc3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.64289504
21631,COc1ccc(OCCCS(N)(=O)=O)cc1C(C)COc1ccc2c(c1)NC(=O)CCC2,[*]CCOc1ccc(O[*])c([*])c1,0.19700228
21632,COc1ccc(OCCN2CCCC(Cc3ccc(OC4CCCC4)cc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3681595
21633,COc1ccc(OCCN2CCN(c3cccc(C(C)=O)c3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4829281
21634,COc1ccc(OCCN2CCOC(CCc3ccc(F)cc3)C2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4273634
21635,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(CCc2ccc3c(c2)NC(=O)CC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.37951958
21636,COc1ccc(OCCSC)cc1N1CCC(Cc2ccc3ccccc3c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.35335183
21637,COc1cccc(C(=O)C2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69738185
21638,COc1cccc(Oc2cc3c(cc2OC)CCN2Cc4c(cccc4OC)CC32)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7889746
21639,COc1cccc2c1CN1CCc3cc(C(C)=O)c(CNc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.31325337
21640,Cc1cc(OCCCc2ccccc2)ccc1OCN1CC=C(C(=O)O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2730891
21641,Cc1cc(OCCN2SCCC2=O)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.14459391
21642,Cc1cc(OCCNCc2ccsc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.15226088
21643,Cc1cc(OCCOS(C)(=O)=O)ccc1ON1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22760502
21644,Cc1ccc(N2CCN(CCNC(=O)c3ccc(C)c(O)c3)CC2)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3917394
21645,Cc1ccccc1N1CCN(CCN2CCC(c3nnc(-c4ccc(F)cc4)n3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6307
21646,O=C(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1ccc2ncccc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.412716
21647,O=C(c1ccncc1)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6527803
21648,O=C1CCc2cccc(F)c2N1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7722146
21649,O=C1CN(CCCN2CCN(Cc3cccc(Cl)c3)CC2)c2ccccc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69685006
21650,O=C1Nc2ccccc2CCC1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60317993
21651,O=C1Nc2ccccc2ON1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66506505
21652,O=S1(=O)Cc2ccccc2N1c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.73695123
21653,Oc1cc2c(cc1Cl)CCN1Cc3c(cccc3Oc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7073087
21654,Oc1cc2c(cc1NC=Cc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5603785
21655,Oc1cnc(C2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72188723
21656,C=C[SH](=O)(O)c1cc(OCCN2CCCC(Cc3cccc(F)c3)C2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.32489538
21657,CC(C)Oc1ccccc1N1CCN(CCN2CCC(Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78839654
21658,CCC(=O)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49279583
21659,CCCC(=O)Nc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.28838378
21660,CCCOc1ccc(OC(N)=O)c(C2CCCN(CCC)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.43679658
21661,CCCOc1ccc(OCN2CCC(NS(=O)(=O)c3cccc(C(=O)F)c3)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3277901
21662,CCCOc1ccc(ON2CCN(Cc3cccc(NC(C)=O)c3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23981017
21663,CCCOc1ccc(OOS(C)(=O)=O)c(CCCc2ccc3c(c2)NC(=O)CCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23876229
21664,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3ccccc3C3CCCCC3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25673607
21665,CCCOc1ccc(OS(C)(=O)=O)c(NCCc2ccccc2OC2CCNC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25900534
21666,CCNCc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6439559
21667,CNOc1ccc(OCCN2CCC(c3ccccc3NC(C)=O)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.3629659
21668,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc(Br)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87170345
21669,COCCCN1CCN(Cc2cccc(-c3c(C(N)=O)sc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48584956
21670,COCCCOc1ccc(OC)c(N2CCC(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34294814
21671,COCCc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8399783
21672,COOc1ccc(OCCN2CCOC(CCc3ccc(F)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.3865724
21673,COc1cc2c(cc1COCc1ccccc1)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6864053
21674,COc1cc2c(cc1O)C1Cc3cccc(CCCO)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7826151
21675,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cccc(C=O)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70287687
21676,COc1cc2c(cc1O)CCN1Cc3c(cccc3[N+](=O)C(F)(F)F)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68752533
21677,COc1cc2c(cc1OC)C1Cc3cccc(-c4cc5ccccc5cn4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6592302
21678,COc1cc2c(cc1SC)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7217699
21679,COc1ccc(OCCC(=O)COc2ccccc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.023061324
21680,COc1ccc(OCCC=NO)cc1N1CCCC(Cc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.27958775
21681,COc1ccc(OCCCC2CCc3ccccc3C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.34582117
21682,COc1ccc(OCCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.8416225
21683,COc1ccc(OCCCF)cc1CN1CCN(c2ccc(C(C)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.41988492
21684,COc1ccc(OCCCF)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.83466357
21685,COc1ccc(OCCF)cc1CNCC1OCCC1c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.2067073
21686,COc1ccc(OCCN2CCC(c3cc(F)cc4ccc(F)cc34)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6782309
21687,COc1ccc(OCCS(=O)(=O)N(C)C)cc1CCCc1ccc(C2CCNCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.2003977
21688,COc1cccc2c1CN1CCc3cc(-c4cccc(OC(C)C)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55270106
21689,COc1cccc2c1CN1CCc3cc(C(=O)Nc4ccc(Cl)cc4Cl)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3757236
21690,COc1cccc2c1CN1CCc3cc(OCc4cccc(C#N)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58939654
21691,COc1ccccc1N1CCN(CCN2CCC(COc3cccc4ccc(O)nc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77996624
21692,COc1ccccc1N1CCN(CCN2CCC(COc3cnc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79429173
21693,COc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccc(F)cc4)no3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87790173
21694,COc1ccccc1Oc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83566993
21695,C[N+](=O)Oc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7298158
21696,Cc1cc(OCCCS(=O)(=O)c2cccc(Cl)c2)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.10967347
21697,Cc1cc(OCCN2CCC(Cc3ccc(OC4CCCC4)cc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.49761924
21698,Cc1cc(OCCNCCc2ccc3c(c2)OC(=O)CC3)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.21703917
21699,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCC(Cc2ccc(OC3CCC(=O)NC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18852337
21700,Cc1cc2c(cc1-c1cccc(CO)c1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.609225
21701,Cc1cc2c(cc1O)C1Cc3cccc(C(C)c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61036897
21702,Cc1ccccc1N1CCN(CCN2CCC(c3coc(O)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.63869387
21703,FC(F)(F)CCCN1CCN(Cc2cccc(CNc3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.41230932
21704,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)NC1CCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51940465
21705,O=C1CC2(CCCC2)CC(=O)N1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7122458
21706,O=C1OCCc2ccc(-c3cccc(CN4CCN(CCCCl)CC4)c3)cc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6639082
21707,O=c1oc2ccccc2c(=O)n1Cc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5014146
21708,OCCCN1CCN(Cc2cccc(Cc3cccc(-c4cccs4)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64118904
21709,Oc1cc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c2ccc(F)cc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7699415
21710,Oc1cccc2c1CN1CCc3cc(C(O)(F)F)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68825436
21711,CC1(C(=O)NCCCCN2CCN(Cc3cccc(Cl)c3)CC2)CCCc2ccccc2C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6005988
21712,CC1CCN(CCN2CCN(c3ccccc3Cc3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6820772
21713,CC1Cc2ccccc2N1C(=O)CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7522065
21714,CCCOc1ccc(OCCOc2ccccc2)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8593578
21715,CCCOc1ccc(OCN)c(NCCc2ccco2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0745034
21716,CCCOc1ccc(OCN2CCC(Oc3ccccc3C)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4262936
21717,CCCOc1ccc(OF)c(CN(CC)C2CCc3ccc(NC(=O)OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24947152
21718,CCCOc1ccc(ON)c(N2CCN(c3ccccc3OCC(F)(F)F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38980627
21719,CCCOc1ccc(ON2C=CN(C(C)=O)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.095772736
21720,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32679227
21721,CCCOc1ccc(OOC)c(CNC(=O)c2ccc(C(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.023801915
21722,CCCOc1ccc(OS(C)(=O)=O)c(CCCc2ccccc2OC2CCCN2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20846674
21723,CCOC1CCN(CCN2CCN(c3ccccc3Oc3ccc4ccc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75917643
21724,CCc1ccccc1N1CCN(COc2ccc(OCCOC)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5720763
21725,CCc1ccccc1OC1CCN(Cc2cc(OCCNS(C)(=O)=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.41558322
21726,CNOc1ccc(OCCN2CCN(c3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5868048
21727,COC(=O)c1cccc2c1CN1CCc3cc(OC)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4504068
21728,COC1CCN(CCN2CCN(c3ccccc3C3CCc4ccc(N)cc4C3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7169128
21729,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3ccc(-n4ccnc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.666681
21730,COCC1CCN(CCN2CCN(c3ccccc3COc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65858513
21731,COCCCN1CCN(Cc2cccc(C3Oc4ccccc4CC3(C)C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65536124
21732,COCCOc1ccc(ON2CCN(c3ccc(C(C)=O)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10756597
21733,CON1CCN(CCNC(=O)c2ccc(N)c(-c3cccc([N+](=O)[O-])c3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26955545
21734,COOc1ccc(OCCNCC(=O)c2ccc(SC)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.06430466
21735,COc1cc2c(cc1O)C1Cc3cccc(CNCc4ccc(CO)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66537815
21736,COc1cc2c(cc1O)CCN1Cc3c(cccc3C3CC3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76720333
21737,COc1cc2c(cc1OC)C1Cc3cccc(C=COCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7727991
21738,COc1ccc(NC(=O)c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35994238
21739,COc1ccc(OCCC(=O)COc2ccc(C(F)(F)F)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.028020902
21740,COc1ccc(OCCCCCc2ccc3c(c2)NC(=O)CC3)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.18793888
21741,COc1ccc(OCCCNC(=O)c2ccc3c(c2)CCCC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13554217
21742,COc1ccc(OCCN2CCCC(c3ccc(SC)cc3)C2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.41580597
21743,COc1ccc(OCCNC(=O)Cc2ccco2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.03520016
21744,COc1ccc(OCCNC(C)=O)cc1N1CCC(Oc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2265674
21745,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23939016
21746,COc1cccc2c1CN1CCc3cc(-c4cccc(OCC(F)(F)F)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5883539
21747,COc1cccc2c1CN1CCc3cc(-c4cccn4C)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7710466
21748,COc1cccc2c1CN1CCc3cc(C(=O)c4ccc(Cl)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5052371
21749,COc1ccccc1C(=O)c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46213236
21750,COc1ccccc1N1CCN(CCN2CCC(c3ccccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8907512
21751,COc1ccccc1NC1CCN(c2cc(OCCCN)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28584296
21752,CS(=O)(=O)c1ccccc1-c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5439561
21753,CSOc1ccc(OCCN2CCC(NC(=O)c3ccc(F)c(F)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.48131198
21754,CSc1ccc(C(=O)C2CCN(Oc3ccc(OCCF)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.12083273
21755,CSc1ccc(OCCCOc2ccc(ON3CCNC3=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.18892692
21756,Cc1cc(OCCF)ccc1ONC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3489657
21757,Cc1cc(OCCN2CCC(Cc3ccc(F)cc3)CC2)ccc1OC(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.46806285
21758,Cc1cc(OCCNCC2CCc3ccccc3C2)ccc1OS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.27484787
21759,Cc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1ccc(Br)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.20427
21760,Cc1cccc2c1CN1CCc3cc(O)c(Oc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6037542
21761,N#CCCCN1CCN(Cc2cccc(-c3ccc4sccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6917018
21762,N#Cc1cccc(-c2cc3c(cc2O)C2Cc4cccc(F)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62094223
21763,N#Cc1cccc(Cc2cc3c(cc2O)C2Cc4cccc(-c5ccccc5)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5495715
21764,OC(F)(F)CCCN1CCN(Cc2cccc(-c3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62881696
21765,OC1CCN(CCN2CCN(c3ccccc3Nc3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4594618
21766,C=S(C)(=O)OCCOc1ccc(ON2CCCC(Cc3ccc(F)cc3)C2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22968368
21767,CC(C)c1ccccc1N1CCN(CCN2CCC(c3ccncn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65826696
21768,CCCOc1ccc(OC)c(NC(=O)c2ccc(CCC3CCCN(C)C3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16229242
21769,CCCOc1ccc(OOC)c(N2CCN(C(F)c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27484268
21770,CCCOc1ccc(OS(C)(=O)=O)c(-n2ccc(Cc3ccccc3)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1150669
21771,CCCOc1ccc(OS(C)(=O)=O)c(CCCc2ccc(-c3ccccc3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12995571
21772,CCCOc1ccc(OS(C)(=O)=O)c(CCN2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.74806315
21773,CCCOc1ccc(OS(C)(=O)=O)c(CCOc2cccc(F)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11921612
21774,CCOc1ccccc1N1CCN(CCOc2ccc(OS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6979664
21775,CNCCOc1ccc(OC)c(CCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13561736
21776,COC1CCN(CCN2CCN(c3ccccc3-c3cc(O)nc4ccc(C#N)cc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77115494
21777,COC1CCN(CCN2CCN(c3ccccc3-c3cncc4cc(O)ccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7198072
21778,COC1CCN(CCN2CCN(c3ccccc3NS(=O)(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.50684595
21779,COOc1ccc(OCCN2CCC(Oc3cc4ccccc4s3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6383687
21780,COc1c(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)ccc2ccccc12,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66051584
21781,COc1cc2c(cc1-c1ccc(CO)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75075203
21782,COc1cc2c(cc1-c1cccc(O)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75441414
21783,COc1cc2c(cc1-c1ccccc1C)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6516438
21784,COc1cc2c(cc1O)C1Cc3cccc(C(OC)c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74089426
21785,COc1cc2c(cc1O)C1Cc3cccc(C4CCCOC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69023323
21786,COc1cc2c(cc1O)C1Cc3cccc(CNC(=O)c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47313353
21787,COc1cc2c(cc1O)CCN1Cc3c(CCc4cccc([N+](=O)C(C)=O)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54058
21788,COc1cc2c(cc1OC)C1Cc3cccc(Oc4cccc(C=O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5914923
21789,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1cccc(Cl)c1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29849997
21790,COc1ccc(OCCC(N)=O)cc1CN1CCC(c2ccccc2F)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4496782
21791,COc1ccc(OCCCC2C(=O)CCc3ccc(S(C)(=O)=O)cc32)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.11324928
21792,COc1ccc(OCCCn2cccn2)cc1NS(=O)(=O)c1ccc(S(N)(=O)=O)c(Cl)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07909201
21793,COc1ccc(OCCN(C)C)cc1N1CCC(c2cccc(C(C)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23530698
21794,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC2CCCC1CC2,[*]CCOc1ccc(O[*])c([*])c1,0.19692835
21795,COc1ccc(OCCS(C)(=O)=O)cc1NC(=O)CCc1ccc2c(c1)CCC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.047972754
21796,COc1cccc(-c2cc(C(=O)NCCN3CCN(OC)CC3)ccc2Br)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29264385
21797,COc1cccc(CN2CCN(CCCC(=O)c3ccco3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.47284573
21798,COc1cccc(CN2CCN(CCCC3c4ccccc4CS3(=O)=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5600173
21799,COc1cccc2c1CN1CCc3cc(-c4ccc5[nH]ccc5c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62456536
21800,COc1cccc2c1CN1CCc3cc(C(=O)NCc4ccc(Cl)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45075864
21801,COc1ccccc1Cc1ccc(C(=O)NCCN2CCN(C)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30514476
21802,COc1ccccc1N1CCN(CCN2CCC(OCc3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8959844
21803,COc1ccccc1N1CCN(CCN2CCC(c3cccc(-c4ccc(F)nn4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.88444847
21804,COc1ccccc1N1CCN(CCN2CCC(c3cccc(O)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82653326
21805,COc1ccccc1N1CCN(CCN2CCC(c3nc(-c4ccccc4)cs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81804156
21806,CS(=O)(=O)Oc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7013725
21807,CSOc1ccc(OCCN2CCC(Oc3ccc(C)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.38684714
21808,Cc1cc(OCCC(O)CCc2ccc3c(c2)NC(=O)CC3)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13545045
21809,Cc1cc(OCCF)ccc1OCN1CCC(O)C(c2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.5052202
21810,Cc1cc(OCCN2CCCCC2c2ccc(OC3CCCCC3)cc2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.3211454
21811,Cc1cc(OCCNS(=O)(=O)c2ccc(F)c(Cl)c2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.03452296
21812,Cc1ccccc1N1CCN(CCN2CCC(N(C)C(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6548274
21813,Clc1cccc(CN2CCN(CCCCc3cccc4c3OCO4)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6722892
21814,O=C(c1cccs1)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77653784
21815,O=C1Nc2ccccc2C1c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.714955
21816,O=[N+]([O-])Cc1cccc(-c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49074036
21817,Oc1cccc2c1CN1CCc3cc(Cc4ccc(F)cc4F)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75980765
21818,CC(C)c1ccccc1N1CCN(CCN2CCC(NC(=O)Nc3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.48327032
21819,CCCCN1CCN(Cc2cccc(S3=c4ccccc4=CC3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46352252
21820,CCCOc1ccc(OC(C)COc2ccccc2)c(NCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14057553
21821,CCCOc1ccc(OCCOc2ccc(F)cc2)c(-c2cccc(OC)c2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19791216
21822,CCCOc1ccc(ON2CCCN(c3ccc(F)cc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30902755
21823,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(Oc3ccc(CC4CCCC4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16958492
21824,CCCOc1ccc(OOC)c(N2CCN(c3ccccc3Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3408696
21825,CCCOc1ccc(OS(C)(=O)=O)c(CCOc2ccc3c(c2)CC(=O)NC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2605469
21826,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)CC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0067737834
21827,CCCOc1ccc(OS(C)(=O)=O)c(OC2CCCc3ccc(OCC4CCCCC4)cc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3161978
21828,CCCOc1ccc(OS(N)(=O)=O)c(N2CCCC(C3CCc4cc(F)ccc4C3=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29606083
21829,CCOc1ccccc1N1CCN(CCN2CCC(n3ccc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8516668
21830,CNC(=O)Oc1ccc(OCCCN2CCN(c3ccccc3OC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.78452986
21831,COC1CCN(CCN2CCN(c3ccccc3C(C)OC(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6382266
21832,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4cccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8995272
21833,COCCCN1CCN(Cc2cccc(-c3ccc4c(c3)OCO4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4946832
21834,COCCCN1CCN(Cc2cccc(C3COc4ccccc4N3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56750476
21835,COCCCN1CCN(Cc2cccc(CNC(C)=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.42077067
21836,COCCOc1ccc(OC)c(CN2CCN(C(=O)c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.089012355
21837,CON=CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61855096
21838,COc1c(C)cccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.23760349
21839,COc1cc(C)ccc1OCC(=O)NCCOc1ccc(OSC)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.023289224
21840,COc1cc2c(cc1O)C1Cc3cccc(N(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8944643
21841,COc1cc2c(cc1OC)C1Cc3cccc(CCc4ccc(CO)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7807981
21842,COc1cc2c(cc1OC)CC(CNCOc1ccc(OCCc3ccc(F)cc3)cc1C)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.2840158
21843,COc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1ccccc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.37228566
21844,COc1ccc(C(=O)NCCN2CCN(c3cc(C)ccc3OC)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.5388228
21845,COc1ccc(OCCN(C)C=O)cc1OC1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3596256
21846,COc1ccc(OCCN2CCC(Oc3ccc(CCF)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.51586
21847,COc1ccc(OCCN2CCC(Oc3ccccc3C=O)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5231752
21848,COc1ccc(OCCN2CCCC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.49037802
21849,COc1ccc(OCCN2CCN(CC(=O)c3ccc(F)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.33168724
21850,COc1ccc(OCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.89679164
21851,COc1ccc(OCCNCc2ccc(F)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.1904153
21852,COc1ccc(OCCS(=N)(=O)O)cc1N1CCC(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.26479292
21853,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(c2ccc(F)cc2)C(=O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.25815728
21854,COc1ccccc1C1CCN(CCOc2ccc(OC(N)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.56503445
21855,COc1ccccc1N1CCN(CCN2CCC(c3ccc4c(c3)NC(=O)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83895046
21856,CS(=O)(=O)CCOc1ccc(OF)c(N2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23228188
21857,CSc1ccccc1N1CCN(CCN2CCC(C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8200503
21858,Cc1cc(OCCCC(=O)c2ccc(F)cc2)ccc1OCN1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24753322
21859,Cc1cc(OCCCNCc2cccs2)ccc1ON=S(=O)(O)O,[*]CCOc1ccc(O[*])c([*])c1,0.09645728
21860,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.62178993
21861,Cc1cc(OCCN2CCC(O)C(Cc3ccc(F)cc3)C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.4210327
21862,Cc1cc(OCCN2CCN(C)CC2)ccc1OCC(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.2703958
21863,Cc1cc(OCCNC(=O)Cc2ccccc2)ccc1OCN1CCNC1,[*]CCOc1ccc(O[*])c([*])c1,0.090866454
21864,Cc1cc(OCCNCc2ccc(OC3CCNCC3)cc2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.19710581
21865,Cc1cc(OCCNS(C)(=O)=O)ccc1OSCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.09972333
21866,Cc1cc(OCCNc2ccccc2)ccc1OOC1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.14167818
21867,Cc1cc(OCCOS(C)(=O)=O)ccc1ON1CCC(Cc2ccc3c(c2)CC(=O)NC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23991567
21868,N#Cc1cccc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6591089
21869,O=COc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6587095
21870,O=c1c2ccccc2ncn1Cc1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6395694
21871,OC1CCN(CCN2CCN(c3ccccc3-n3cccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7654531
21872,OOc1ccc(OCCN2CCN(c3ccccc3OCCF)CC2)cc1CCF,[*]CCOc1ccc(O[*])c([*])c1,0.8468933
21873,Oc1cc2c(cc1Cl)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77636546
21874,CC(=O)C1CCN(CCN2CCN(c3ccccc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.813033
21875,CC(=O)Oc1ccc(OCCN2CCC(c3cccc(C(F)(F)F)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5429263
21876,CCCOc1ccc(OC(=O)NOC)c(CN2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5386106
21877,CCCOc1ccc(OC)c(CN2CCC(C(=O)c3ccc(S(C)(=O)=O)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3092615
21878,CCCOc1ccc(OC)c(N2CCN(c3ccccc3OCC(F)(F)F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37725767
21879,CCCOc1ccc(OOC)c(CC2CCCN(c3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3466769
21880,CCCOc1ccc(OOC)c(N2CCCC(Nc3cccc(C(F)(F)F)c3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28832337
21881,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(CCc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31465825
21882,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC2CCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24526015
21883,CCCOc1ccc(Oc2ccccc2OCCC)c(C(=O)OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.060340043
21884,CCOc1ccccc1N1CCN(CCN2CCC(c3nc(O)nc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7488593
21885,COC(=O)Nc1cccc(-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35227177
21886,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccc(N)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67943895
21887,COCCCN1CCN(Cc2cccc(N=S(=O)(O)c3ccc(F)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.47042066
21888,COCCOc1ccc(ON2CCNCC2CCc2cc3ccccc3o2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38359225
21889,COCCOc1ccc(ONC2CCCN(Cc3ccccc3)C2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38499415
21890,COOc1ccc(OCCCN2CCN(c3ccc(OC)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.74679995
21891,COc1cc2c(cc1-c1ccsc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7758975
21892,COc1cc2c(cc1O)C1Cc3cccc(Cc4c(OC)cccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.807718
21893,COc1cc2c(cc1O)CCN1Cc3c(CC=O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7382457
21894,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc4[nH]c(C(=O)O)cc4c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5115733
21895,COc1ccc(C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.6834326
21896,COc1ccc(OCCC2CCN(CCc3ccccc3)CC2)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6811305
21897,COc1ccc(OCCCC(=O)OCc2ccccc2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.056303103
21898,COc1ccc(OCCCCNC(=O)c2ccc(CF)cc2)cc1-c1cc(SC)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.038613312
21899,COc1ccc(OCCCNC(=O)c2cccc(Cl)c2Cl)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.06525648
21900,COc1ccc(OCCCS(=O)(=O)c2ccc(F)cc2)cc1N1CCNC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.17528029
21901,COc1ccc(OCCN(C)Cc2ccccc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.18568288
21902,COc1ccc(OCCN2CCC(c3cccc(NC(C)=O)c3)CC2)cc1O,[*]CCOc1ccc(O[*])c([*])c1,0.5941888
21903,COc1ccc(OCCN2CCC(c3cccs3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.754477
21904,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1C(=O)NCC1CCCN1,[*]CCOc1ccc(O[*])c([*])c1,0.09936043
21905,COc1ccc(OCCNCCc2ccc3c(c2)C(=O)CC3)cc1S(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.13768789
21906,COc1ccc(OCCNS(=O)(=O)c2ccc(C)c(Cl)c2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07871386
21907,COc1ccc(OCCSCCc2ccc3c(c2)N(C)C(=O)CC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.22104469
21908,COc1ccc(OCC[SH](C)(=O)O)cc1N1CCC(Oc2ccc(C(C)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18233551
21909,COc1ccc2c(c1)OC(CNCOc1ccc(OCCF)cc1C)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.48016858
21910,COc1cccc2c1CN1CCc3cc(C)c(-c4ccn(C)c4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6572056
21911,COc1ccccc1N1CCN(C)N(Oc2ccc(OCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.32815924
21912,CSOc1ccc(OCCN2CCC(Cc3ccc(F)c(N)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5403264
21913,C[N+](O)=Cc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.729622
21914,Cc1cc(OCCNC(=O)COc2ccc(CCCF)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.031199766
21915,Cc1cc(OCCNCc2ccc(OC3CCCCN3)cc2)ccc1OC(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.064874925
21916,Cc1cc(OCC[SH](C)(=O)O)ccc1ON1CCC(Cc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.30047402
21917,Cc1ccc(OCCOc2ccc(OCCS(C)(=O)=O)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06834404
21918,Cc1cccc(CN2CCN(CCCc3cccc(=O)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5795745
21919,Cc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3cccc4cccnc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6988687
21920,Cc1ccccc1N1CCN(CCN2CCC(c3ncc(-c4ccccc4)o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.60781395
21921,Clc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccccc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8068995
21922,N#Cc1ccc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82458615
21923,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)N1CCc2ccccc2C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49888524
21924,O=C(NCCCN1CCN(Cc2cccc(Cl)c2)CC1)C1c2ccccc2-c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4686884
21925,O=C(NCc1ccc(Cl)cc1)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4100387
21926,C=Cc1ccccc1OC1CCN(c2cc(OCCN=S(C)(=O)O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21323691
21927,CC(=O)N1CCC(Cc2cc(OCCF)ccc2OCS(N)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.0928965
21928,CC(C)Oc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccnc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7286118
21929,CC=S(=O)(O)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.554796
21930,CCCOc1ccc(OC)c(NC(=O)COc2ccccc2N2CCN(C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2612291
21931,CCCOc1ccc(ON2CCCCC2)c(NCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20965685
21932,CCCOc1ccc(ONCCC(=O)c2ccc(F)cc2)c(N2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25298017
21933,CCCOc1ccc(OOC)c(CC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08837929
21934,CCCOc1ccc(OSC)c(CCc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.123775445
21935,CCCOc1ccc(OSC)c(NC(=O)COc2ccc(CCF)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0063641313
21936,CCCOc1ccc(OSC)c(NS(=O)(=O)c2ccccc2CC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.087852195
21937,CCOc1ccccc1N1CCN(CCN2CCC(n3c(O)nc4cc(Cl)ccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.797238
21938,CCc1cc(OC)ccc1Oc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6727109
21939,CCc1cccc(OC2CCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5985341
21940,CNOc1ccc(OCCNS(=O)(=O)c2ccc(C(C)=O)c(C)c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.013062706
21941,COC(=O)c1cccc(NCc2cccc3c2CN2CCc4cc(C)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3297779
21942,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4nc(O)cc(Cl)c4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80376613
21943,COOc1ccc(OCCN2CCC(c3cccc(SC)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.7118927
21944,COc1cc2c(cc1O)C1Cc3cccc(CN4CCCCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50491685
21945,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cccc(CN(C)C)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66579354
21946,COc1cc2c(cc1OC)C1Cc3cccc(-c4cc5ccccc5[nH]4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71686816
21947,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc([N+](=O)C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59525675
21948,COc1ccc(OCCC(=O)COc2ccccc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.0419369
21949,COc1ccc(OCCCCN2CCC(c3ccccc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.7073848
21950,COc1ccc(OCCCOC(C)=O)cc1NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25668877
21951,COc1ccc(OCCF)cc1CN1CCC(C(=O)c2ccc(S(C)(=O)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.34927243
21952,COc1ccc(OCCN2CCC(c3ccccc3)CC2)cc1S(=O)(=O)C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4907264
21953,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(C(=O)c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.15776704
21954,COc1ccc(OCCNS(C)(=O)=O)cc1CC(C)COc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.19112946
21955,COc1ccc(OCCNS(C)(=O)=O)cc1N1CC(Cc2ccc(F)cc2)CC2CCC1CS2,[*]CCOc1ccc(O[*])c([*])c1,0.24077266
21956,COc1ccc(OCCS(N)(=O)=O)cc1CCCc1ccc2c(c1)CCC(=O)C2,[*]CCOc1ccc(O[*])c([*])c1,0.20009837
21957,COc1ccc2ccnc(C3CCN(CCN4CCN(c5ccccc5C)CC4)CC3)c2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65619946
21958,COc1cccc(Oc2cccc(-c3cc4c(cc3Cl)C3Cc5cccc(O)c5CN3CC4)c2)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6073031
21959,COc1ccccc1N1CCN(CCN2CCC(Cc3cc4ccccc4nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84580374
21960,COc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8534631
21961,COc1ccccc1N1CCN(CCN2CCC(c3cccc(C(F)(F)F)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77510524
21962,COc1ccccc1N1CCN(CCN2CCC(c3nc(O)ccc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8012833
21963,CS(=O)(O)=CNOc1ccc(OCCF)cc1CCCN1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.4836844
21964,CSc1ccc(CC2CCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.56804496
21965,CSc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cc4ccccc4nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70184046
21966,Cc1cc(OCCCN2CCC(Oc3ccc4c(c3)NC(=O)CCC4)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.60647255
21967,Cc1cc(OCCCSCc2ccc(F)cc2)ccc1OCN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.2599113
21968,Cc1cc(OCCN2CCC(Cc3ccccc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5588407
21969,Cc1cc(OCCN=S(C)(=O)O)ccc1OC1CCCN(Cc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.3266043
21970,Cc1cc(OCCN=S(C)(C)=O)ccc1ON1CCCC(c2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2602175
21971,Cc1cc(OCCNC(=O)Cc2ccccc2)ccc1ON1CCC(C)(O)CS1,[*]CCOc1ccc(O[*])c([*])c1,0.05467848
21972,Cc1ccc(OC2CCN(CCOc3ccc(OOS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.4468279
21973,O=C(NC1CCC(c2cccc(CN3CCN(CCCCl)CC3)c2)CC1)c1cccs1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.52981555
21974,O=C(NCc1cccc(CN2CCN(CCCOC(F)(F)F)CC2)c1)c1cccc2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.43820694
21975,O=C(c1ccc2ccccc2c1)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74098516
21976,O=S1(=O)Cc2ccccc2N1c1cccc(CN2CCN(CCCc3ccc(F)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72599727
21977,CC(=O)CCOc1ccc(OCN2CCC(c3ccc(F)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39234063
21978,CC(=O)N1CCC(CNC(=O)Oc2ccc(OCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.0915197
21979,CC(=O)NCc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5320842
21980,CC(C)Oc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8943956
21981,CCCOc1ccc(OC(=O)N2CCCCC2)c(NC(=O)Cc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.031176856
21982,CCCOc1ccc(OC)c(NC(=O)c2ccccc2[SH](C)(N)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0239914
21983,CCCOc1ccc(OCC2CCN(c3ccccc3OC)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.429522
21984,CCCOc1ccc(OCN2CCN(c3ccccc3OC(C)C)CC2)c(NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.57943285
21985,CCCOc1ccc(ONC2CCN(CCc3ccccc3)CC2)c(OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.65747577
21986,CCCOc1ccc(ONS(=O)(=O)C(C)=O)c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14139828
21987,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(c3ccccc3OC3CC3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36467537
21988,CCCOc1ccc(OOC)c(N2CCN(c3cccc(F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38425148
21989,CCCOc1ccc(OS(C)(=O)=O)c(CCCc2ccc(C3CCNC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19587725
21990,CCCc1cc(C2CCN(CCOc3ccc(ON)c(C)c3)CC2)ccc1OC1CCNC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.5525695
21991,CCOc1ccccc1N1CCN(c2cc(OCCOC)ccc2OF)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.30051377
21992,COOc1ccc(OCCN2CCC(c3cccc(C(F)(F)F)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6960152
21993,COc1cc2c(cc1O)C1Cc3cccc(-c4cccc(CON(C)C)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49771264
21994,COc1cc2c(cc1O)C1Cc3cccc(CNc4ccc(F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58319926
21995,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75723785
21996,COc1cc2c(cc1OC)C1Cc3cccc(C#Cc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.80997515
21997,COc1ccc(C(=O)C2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6354027
21998,COc1ccc(OCCC(=O)COc2ccccc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.033775944
21999,COc1ccc(OCCCOc2ccccc2)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.18044989
22000,COc1ccc(OCCCc2cccc(NC(C)=O)c2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.03480972
22001,COc1ccc(OCCN2CCC(c3ccc(C(C)=O)s3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.4615971
22002,COc1ccc(OCCN=S(C)(=O)O)cc1OC(C)Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.046953987
22003,COc1ccc(OCCNC(=O)c2ccccc2)cc1N(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.024779882
22004,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(Cc2ccc3c(c2)NC(=O)CCC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.30364585
22005,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Cc2ccc3ccccc3c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28013426
22006,COc1ccc(OCCS(C)(=O)=O)cc1NC(=O)Cc1ccc2c(c1)NC(C)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.10615241
22007,COc1ccc(OCCc2ccccc2OCCF)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.17858227
22008,COc1ccc(S(=O)(=O)C2CN(Cc3cc(OCCF)ccc3OC)CCC2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.3963287
22009,COc1cccc(C2CCN(c3cc(OCCN=S(C)(=O)O)ccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2093229
22010,COc1cccc(CN2CCN(CCCc3cccc(NS(C)(=O)=O)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.43600154
22011,COc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccc(Br)cc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8694685
22012,CSOc1ccc(OCCN2CCC(Nc3ccccc3F)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5268998
22013,CSOc1ccc(OCCNC(=O)CCc2ccc3c(c2)CCCC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.038911507
22014,CSc1ccc(C(=O)C2CCN(COc3ccc(OCCNC(C)=O)cc3S(C)(=O)=O)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.24289508
22015,CSc1ccccc1N1CCN(CCN2CCC(n3cc4ccccc4c3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75021
22016,Cc1cc(OCCC2CCS(=O)(=O)CC2Cc2ccc(F)cc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10502098
22017,Cc1cc(OCCCS(=O)(=O)c2ccc(F)cc2)ccc1ON1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23512347
22018,Cc1cc(OCCF)ccc1OCS(=O)(=O)c1cccc(C(N)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.030340087
22019,Cc1cc(OCCN2CCC(Cc3cccc(NS(C)(=O)=O)c3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6009922
22020,Cc1cc(OCCN2Cc3ccccc3CC(C)C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.35958087
22021,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(Cc2ccc(OC3CCC(=O)NC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1872376
22022,Cc1cccc2c1CN1CCc3cc(CC#N)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6213951
22023,Cc1ccccc1N1CCN(CCN2CCC(n3cccc3[N+](=O)[O-])CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.577648
22024,FCCCN1CCN(Cc2cccc(N=CC3COc4ccccc4N3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.76948196
22025,O=C(C#Cc1ccccc1)Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.43759495
22026,O=S(=O)(Oc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2)C(F)(F)F,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65927047
22027,Oc1ccc2c(c1)CC(C(O)c1ccccc1N1CCN(CCN3CCC(Cl)CC3)CC1)CO2,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5792899
22028,Oc1cccc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8081747
22029,Oc1cccc2c1CN1CCc3cc(-c4cccc(COc5ccccc5)c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6018579
22030,CC(=O)Oc1cccc(CN2CCN(CCCCc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4674327
22031,CC(C)c1cc2c(cc1CO)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6545335
22032,CC1CCN(CCN2CCN(c3ccccc3-c3ccc4ncccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7630533
22033,CCCCOc1ccc(OOC)c(N2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3351127
22034,CCCCc1ccc(-c2cc(OCCF)ccc2OOC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.080331355
22035,CCCOc1ccc(OC(C)COc2ccccc2)c(C(=O)Nc2cccc(OC)c2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.019546436
22036,CCCOc1ccc(OC)c(CN2CCC(S(=O)(=O)c3cccc(C(C)C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.42907822
22037,CCCOc1ccc(OCN2CCN(C(=O)c3ccc(SC)cc3)CC2)c(N=S(C)(=O)O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07478098
22038,CCCOc1ccc(ON)c(N2CCC(c3cccc(NC(C)=O)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22021605
22039,CCCOc1ccc(ON2CCC(C(=O)O)CC2)c(NC(=O)Cc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.061488654
22040,CCCOc1ccc(ON2CCN(C(=O)c3cccc(C(C)C)c3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.055787265
22041,CCCOc1ccc(OS(N)(=O)=O)c(N2CCCC(Cc3ccc(OC4CCCC4)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17500345
22042,CCOC(=O)c1cc(OCCC(=O)COc2ccccc2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.022848895
22043,CCOc1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76951736
22044,CCc1cccc2c1CN1CCc3cc(CO)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7978401
22045,COCCOc1ccc(OC)c(N2CCCN(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29707798
22046,COCCOc1ccc(OCN2CCN(c3cccc(OC)c3C(C)C)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.55020463
22047,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1C(C)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26487035
22048,COc1cc2c(cc1O)C1Cc3cccc(-c4cc(CO)ccc4Br)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7194997
22049,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(C=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6394126
22050,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(CO)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7322505
22051,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3c[nH]c(CO)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7063886
22052,COc1cc2c(cc1O)CCN1Cc3c(cccc3N3CCOCC3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5069453
22053,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1S(=O)(=O)c1cccc(Cl)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3226927
22054,COc1ccc(OCCN2CCC(F)Cc3cc(C(C)=O)ccc32)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.2176891
22055,COc1ccc(OCCN2CCC(c3ccccc3)CC2)cc1S(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.5349211
22056,COc1ccc(OCCN2CCC(c3coc4cc(F)ccc34)CC2)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.73516154
22057,COc1ccc(OCCN2CCCC(Cc3ccccc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.42123577
22058,COc1ccc(OCCNC(=O)CCc2ccccc2)cc1SN(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.042041216
22059,COc1ccc(OCCNCCc2cc3ccc(F)cc3o2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.17970482
22060,COc1ccc(OCCS(C)(=O)=O)cc1NCCc1cccc2c1NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.1672017
22061,COc1ccc2c(c1)C(=O)N(c1cccc(CN3CCN(CCCCl)CC3)c1)CC2,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6634139
22062,COc1cccc(CN2CCN(CCCCNC(=O)c3ccc4ccoc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57346743
22063,COc1cccc2c1CN1CCc3cc(Cc4cccc([N+](=O)O)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63868666
22064,COc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8409095
22065,CS(=O)(O)=NCCOc1ccc(ON2CCCCC2)c(Cc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0981663
22066,Cc1cc(OCCF)ccc1ONS(=O)(=O)c1cc(Cl)ccc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.045556184
22067,Cc1cc(OCCN2CCC(Oc3ccc(CC4CCCCC4)cc3)CC2)ccc1O[SH]=O,[*]CCOc1ccc(O[*])c([*])c1,0.47345564
22068,Cc1cc(OCCNCC(=O)c2cccs2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.067163154
22069,Cc1cc(OCCNCc2ccccc2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.29980573
22070,Cc1cc(OCCNS(=O)(=O)c2ccc(F)cc2)ccc1ON1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2144606
22071,Cc1cc(OCCOC(C)COc2ccc3c(c2)NC(=O)CC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.18955296
22072,Cc1cc2c(cc1O)C1Cc3cccc(C(=O)O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4444537
22073,Cc1cccc(CN2CCN(CCCC3CS(=O)(=O)Cc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64457387
22074,Cn1cnc(C2CCN(CCN3CCN(c4ccccc4[N+](=O)[O-])CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5428673
22075,FC(F)(F)CCCN1CCN(Cc2cccc(Nc3cccc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3890219
22076,FC(F)(F)c1cccc(CN2CCN(CCCc3ccco3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57551044
22077,O=C1COc2ccc(-c3cccc(CN4CCN(CCCC(F)(F)F)CC4)c3)cc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6145711
22078,ONCc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64238024
22079,Oc1cc(-c2ccccc2)cn1-c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7274324
22080,Oc1cc2c(cc1CSc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6078046
22081,Oc1ccc2nccc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)c2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7239145
22082,C#Cc1ccccc1-c1ccc(C(=O)NCCN2CCN(OC)CC2)cc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.406615
22083,C=S(=O)(O)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55435
22084,CCCC1C(=O)Nc2cc(CCNCCOc3ccc(OO)c(C)c3)ccc21,[*]CCOc1ccc(O[*])c([*])c1,0.13006443
22085,CCCOc1ccc(OCF)c(CN2CCN(c3cccc(Cl)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6995718
22086,CCCOc1ccc(OCS(=O)(=O)c2ccc(C(C)C)cc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.043499876
22087,CCCOc1ccc(OF)c(N(C)c2ccc(C(C)=O)c(OC)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.034593966
22088,CCCOc1ccc(ONC=O)c(N2CCN(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2770943
22089,CCCOc1ccc(ONCCc2ccc3c(c2)NC(=O)CC3)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1727687
22090,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(c3ccccc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24127804
22091,CCCOc1ccc(OS(N)(=O)=O)c(NCCc2ccc3cc(S(C)(=O)=O)ccc3c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.036986236
22092,CCCOc1ccc(OSC)c(NCCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09325468
22093,CCNC(=O)Nc1cc2c(cc1O)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3033613
22094,CCOCN1CCN(CCNC(=O)c2ccc(OC)c(-c3ccccc3OC)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30565527
22095,CNC(=O)c1cc(OCCCCS(=O)(=O)c2ccc(F)cc2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.032442182
22096,COC(=O)OCc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42370173
22097,COC1CCN(CCN2CCN(c3ccccc3C#N)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8592878
22098,COC1CCN(CCN2CCN(c3ccccc3COc3ccc4ccc(O)cc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6866074
22099,COc1cc2c(cc1-c1ccc3[nH]ccc3c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72056836
22100,COc1cc2c(cc1C(C)=O)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4643156
22101,COc1cc2c(cc1O)C1Cc3cccc(NCc4ccc(CO)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5120095
22102,COc1cc2c(cc1O)CCN1Cc3c(CSc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62213796
22103,COc1cc2c(cc1O)CCN1Cc3c(cccc3NC(=O)c3ccc(Cl)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.2801018
22104,COc1cc2c(cc1OC)C1Cc3cccc(C4(O)CCCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7803824
22105,COc1ccc(OCCC(C)C)cc1NC(=O)COc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.022609767
22106,COc1ccc(OCCC(N)=O)cc1N1CCN(c2cccc(F)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21428786
22107,COc1ccc(OCCCCCc2ccccc2)cc1N1CCN(CCSC)C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.3386743
22108,COc1ccc(OCCN2CCC(c3ccc(OC4CCC(=O)NC4)cc3)CC2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.64627546
22109,COc1ccc(OCCN2CCC(c3cccc(SC)c3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6757012
22110,COc1cccc(CN2CCN(CCCS(=O)(=O)c3cc4ccccc4s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55871713
22111,COc1cccc2c1CN1CCc3cc(C(=O)Nc4cc(Cl)ccc4Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3549249
22112,COc1ccccc1N1CCN(CCN2CCC(c3cc(O)nc4cc(N)ccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.800817
22113,COc1ccccc1N1CCN(CCN2CCC(n3cc(Br)ccc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8183112
22114,Cc1cc(C(=O)NCCN2CCN(C)CC2)ccc1OS(C)(=O)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.17953275
22115,Cc1cc(OCCC=[SH]O)ccc1ONCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.05547406
22116,Cc1cc(OCCF)ccc1ON1CCC(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.32065365
22117,Cc1cc(OCCN2CCC(CC(=O)c3ccc(F)cc3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.59505564
22118,Cc1cc(OCCNC(=O)Cc2ccc(F)cc2)ccc1ON1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.044430315
22119,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)CN(C)CC3)ccc1ONS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.083655976
22120,Cc1cc(OCCNCc2cc(-c3ccccc3)no2)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.1292648
22121,Cc1cc(OCCNCc2cccs2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.11548425
22122,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27825293
22123,FCCCN1CCN(Cc2cccc(Cc3nccs3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6625384
22124,FCCOc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68439543
22125,O=C(Cc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1ccc(F)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7458566
22126,O=C(Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2)Nc1cccc(Cl)c1Cl,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.37500718
22127,O=C1CCc2ccc(Oc3cccc(CN4CCN(CCCCl)CC4)c3)cc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72672826
22128,O=C1Nc2ccccc2CC1c1cccc(CN2CCN(CCCc3cccs3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6029327
22129,O=C1c2ccccc2C(=O)N1CCc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66250145
22130,O=c1ccc2ccccc2c(=O)n1-c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61001056
22131,O=c1cccc(CCCCCN2CCN(Cc3cccc(Cl)c3)CC2)o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72473896
22132,OC=Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7344794
22133,Oc1cc2c(cc1Cc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79474264
22134,Oc1ccc2cc(Oc3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)ccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7835351
22135,Sc1nc2cc(-c3cccc(CN4CCN(CCCCl)CC4)c3)ccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6819079
22136,CC(C)(C)OC(=O)NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.816708
22137,CC(C)(C)OC(=O)Oc1cccc2c1CN1CCc3cc(Br)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50989777
22138,CC1CCN(CCN2CCN(c3ccccc3Cc3ccc(O)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6171187
22139,CC1Cc2ccccc2N1C(=O)CCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.80634767
22140,CCCCN1CCN(Cc2cccc(-n3cccc3O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57604635
22141,CCCCN1CCN(Cc2cccc(CNC(=O)C3(c4ccccc4)CCCC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.36623332
22142,CCCCNOc1ccc(OCCC)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.077759296
22143,CCCCOc1ccc(OOC)c(CNCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18267183
22144,CCCN(C)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78203243
22145,CCCOc1ccc(OC(C)=O)c(N2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15874538
22146,CCCOc1ccc(OC(C)=O)c(NCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03986054
22147,CCCOc1ccc(OC)c(CNC(=O)c2ccc(SCC(N)=O)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0313399
22148,CCCOc1ccc(OCCOc2ccc(F)cc2)c(N(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16667455
22149,CCCOc1ccc(OS(=O)(=O)O)c(NCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0567949
22150,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22618318
22151,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3ccc4cc(F)ccc4n3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27269405
22152,CNCCOc1ccc(OC)c(CN2CCC(NS(=O)(=O)c3ccc(Cl)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.49187917
22153,COC1CCN(CCN2CCN(c3ccccc3-c3nc(O)ccc3Br)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7713161
22154,COCCCN1CCN(Cc2cccc(-c3ccc(N(C)C)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5341613
22155,COCCOc1ccc(OC)c(CN2CCN(c3ccc(F)cc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5876239
22156,COc1cc2c(cc1NC(=O)Nc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.31910717
22157,COc1cc2c(cc1O)C1Cc3cccc(C(=O)OCc4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5372463
22158,COc1cc2c(cc1O)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7751561
22159,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(C(C)=O)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5347702
22160,COc1cc2c(cc1OCc1ccc(F)cc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70350736
22161,COc1ccc(C(=O)NC2CCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.49028742
22162,COc1ccc(CC2CCCN(c3cc(OCCNS(C)(=O)=O)ccc3OC)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.21275829
22163,COc1ccc(COC(=O)c2cccc3c2CN2CCc4cc(O)c(C)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43727008
22164,COc1ccc(OCCCC(=O)c2ccc(F)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.107775144
22165,COc1ccc(OCCCS(=O)(=O)Cc2ccc(F)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.12140467
22166,COc1ccc(OCCN2CCC(C)CC2)cc1NS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.415813
22167,COc1ccc(OCCN=S(C)(=O)O)cc1N1C(=O)CCc2cccc(CCC3CCC3)c21,[*]CCOc1ccc(O[*])c([*])c1,0.18737999
22168,COc1ccc(OCCS(N)(=O)=O)cc1N1CCCC(Cc2ccc(SC)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.18067402
22169,COc1cccc(CN2CCN(CCCCn3cccc3O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60922235
22170,COc1ccccc1-c1cc(C(=O)NCCN2CCN(C#N)CC2)ccc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3789499
22171,COc1ccccc1CC1CCN(CCOc2ccc(OC)c(S(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5621688
22172,COc1ccccc1CN1CCN(CCCOc2ccc(ON=S(C)O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6227685
22173,COc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3cc4ccccc4s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76048446
22174,COc1ccccc1N1CCN(CCN2CCC(n3c(O)cc4c3=CC=CC=CN=4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7275985
22175,CSOc1ccc(OCCN2CCC(Cc3cccc(C=O)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5229063
22176,CSc1ccc(C(=O)CCCOc2ccc(ONS(C)(=O)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.033055846
22177,Cc1cc(OCCCCCc2ccc(F)cc2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10527993
22178,Cc1cc(OCCN2CCC(COc3ccc4c(c3)NC(=O)CC4)CC2)ccc1ONS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.46283558
22179,Cc1cc(OCCN2CCC(Cc3cccc(N4CCOCC4)c3)CC2)ccc1O[SH](C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.26040444
22180,Cc1cc(OCCN2CCC(Oc3ccc(Cl)cc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5633002
22181,Cc1cc(OCCNC=O)ccc1OCNCC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.28956985
22182,Cc1cc(OCCNCCc2ccc3c(c2)OC(=O)CC3)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.23714703
22183,Cc1cc(OCCNCc2ccc(F)cc2)ccc1ON=S(C)(=O)[O-],[*]CCOc1ccc(O[*])c([*])c1,0.11206917
22184,Cc1cc2c(cc1[O-])C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7140127
22185,Cc1ccccc1-c1cc2c(cc1C)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6668611
22186,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(-c4ccccc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6688265
22187,FC(F)(F)c1ccccc1N1CCN(CCN2CCC(c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8397778
22188,O=C(NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)C1CCCCC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78305006
22189,O=C(c1cccc(CN2CCN(CCCF)CC2)c1)c1nc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6066743
22190,Oc1cc2c(cc1Cl)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6880202
22191,C=CC1Cc2ccccc2N1C(=O)CCCN1CCN(Cc2cccc(C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66348803
22192,CC(=O)Oc1cccc2c1CN1CCc3cc(O)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5055612
22193,CCCOc1ccc(OC(F)Cc2ccccc2)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7556842
22194,CCCOc1ccc(ON2CCN(C(=O)OCC)CC2)c(N2CCCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06630113
22195,CCCOc1ccc(OOC)c(N2CCN(C(=O)c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09019502
22196,CCCOc1ccc(OS(C)(=O)=O)c(CN2CCC(Oc3ccc(SC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39893138
22197,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(Cc3ccc(OC4CCCC4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27663678
22198,CCCOc1ccc(OS(N)(=O)=O)c(N2CCN(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.63804907
22199,CCCc1ccc(OC2CCN(CCOc3ccc(OC)c(S(C)(=O)=O)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.5341199
22200,CCCc1ccn(Cc2cc(OCCNS(C)(=O)=O)ccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10666593
22201,CCOc1ccc(Cc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6399124
22202,CCOc1ccccc1N1CCN(CCOc2ccc(OOCCF)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7139611
22203,CNOc1ccc(OCCNC(=O)CCc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.032462373
22204,COC(=O)C1c2ccccc2C(=O)N1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46852866
22205,COC1CCN(CCN2CCN(c3ccccc3-n3cc4ccc(O)cc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7928859
22206,COC1CCN(CCN2CCN(c3ccccc3C(O)c3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77636284
22207,COCCCN1CCN(Cc2cccc(C(=O)c3cc4ccccc4s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4291898
22208,COCCCN1CCN(Cc2cccc(CN3C(=O)C=C(c4ccccc4)C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.522442
22209,COc1cc2c(cc1-c1cccc(O)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64870214
22210,COc1cc2c(cc1C(=O)Nc1cccc3ccccc13)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3225363
22211,COc1cc2c(cc1O)C1Cc3cccc(-c4cc[s+](O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6785748
22212,COc1cc2c(cc1O)C1Cc3cccc(C4CC(=O)Nc5cc(COc6ccccc6)ccc54)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62333655
22213,COc1cc2c(cc1O)C1Cc3cccc(COCc4ccc(C(F)(F)F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7922389
22214,COc1cc2c(cc1O)CCN1Cc3c(CNC(=O)c4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45647928
22215,COc1ccc(OCCC(N)=O)cc1N1CCC(Cc2ccc3c(c2)NC(=O)CCC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.26152128
22216,COc1ccc(OCCCC(C)Oc2ccccc2N2CCNCC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.39373663
22217,COc1ccc(OCCF)cc1C1CN(c2ccccc2OC)CCN1C,[*]CCOc1ccc(O[*])c([*])c1,0.41418436
22218,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCO4)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.43543023
22219,COc1ccc(OCCN2CCCC(Cc3cccs3)C2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3839048
22220,COc1ccc(OCCNCCc2ccc(F)cc2)cc1S(=O)(=O)N(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.17585683
22221,COc1ccc(OCCNS(=O)(=O)c2ccc(SC)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.050634146
22222,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCCC(CCc2ccc3c(c2)NC(=O)CC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2961167
22223,COc1cccc2c1CC(C)CC2CNOc1ccc(OCCNS(C)(=O)=O)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.19342145
22224,COc1cccc2c1CN1CCc3cc(C=CNOCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5579818
22225,COc1ccccc1N1CCN(CCN2CCC(c3cn(C)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.86654454
22226,CSOc1ccc(OCCN2CCC(c3cccc(C(C)=O)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5722294
22227,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCS4)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.44965422
22228,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCc2ccccc2C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.21667202
22229,Cc1cc(OCCNC(=O)Cc2ccccc2)ccc1OCN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.05358587
22230,Cc1cc(OCCNS(=O)(=O)c2ccc(F)c(F)c2)ccc1OCS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.034964904
22231,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCC(Nc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23471692
22232,Cc1cccc(CN2CCN(CCCN3c4ccccc4CS3(=O)=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.73362446
22233,Cc1cccc2c1CN1CCc3cc(CN(C)Cc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5332499
22234,Cc1cccc2c1CN1CCc3cc([N+](=O)[O-])c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45826495
22235,Cc1ccccc1-c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60295606
22236,FCCCN1CCN(Cc2cccc(-c3cccc(-c4cccs4)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67872804
22237,O=C(Cc1ccccc1)Nc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3031266
22238,O=S1(CCCN2CCN(Cc3cccc(F)c3)CC2)=COc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6403022
22239,Oc1ccc2c(c1)OC(CNc1ccccc1N1CCN(CCN3CCC(OCCF)CC3)CC1)CC2,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.48254335
22240,c1ccc(-c2cccc(CN3CCN(CCCc4cccs4)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.71182925
22241,c1ccc(CCCN2CCN(Cc3cccc(Cc4cccc5ccccc45)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63788927
22242,CC=[SH](O)(O)N=Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63697696
22243,CCCOc1ccc(ON2CCN(C(C)=O)CC2)c(-c2cccc(Cl)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08315111
22244,CCCOc1ccc(OOC)c(CNc2ccccc2F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11626726
22245,CCCOc1ccc(OOC)c(NC(=O)COc2ccccc2CC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.010679401
22246,CCCOc1ccc(OS(=O)(=O)O)c(N2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23229386
22247,CCCOc1ccc(OS(=O)(=O)O)c(N2CCCC(COc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22931929
22248,CCCOc1ccc(OS(C)(=O)=O)c(C(=O)COc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09280541
22249,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3ccc(CC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28104582
22250,CCCOc1ccc(Oc2ccccc2OCCC)c(C=NOC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11306158
22251,CCN1C(=O)CCc2ccc(CCC(=O)OCCOc3ccc(OC)c(S(C)(=O)=O)c3)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.12158171
22252,CCNCc1cc2c(cc1OC)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.692887
22253,CNC(=O)CCOc1ccc(OC)c(N2CCC(Oc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19077148
22254,COCCOc1ccc(OC)c(N2CCC(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22748171
22255,COc1cc2c(cc1C(=O)O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52647394
22256,COc1cc2c(cc1CCc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8180249
22257,COc1cc2c(cc1CNCc1ccc(C#N)cc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52146167
22258,COc1cc2c(cc1O)C1Cc3cccc(C(=O)OCc4ccc(O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56689537
22259,COc1cc2c(cc1O)C1Cc3cccc(COCc4cccc(C(F)(F)F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7787222
22260,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cc(C(C)O)ccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68162584
22261,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(O)C3CC3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7901569
22262,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3ccc(Oc4ccccc4)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57962924
22263,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(C#N)cc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7104547
22264,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(OC)c5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68769056
22265,COc1ccc(C(=O)NCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.88885653
22266,COc1ccc(OCCC(=O)Cc2ccccc2)cc1CN1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.35445753
22267,COc1ccc(OCCCN2CCC(Oc3ccccc3)CC2)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.7666188
22268,COc1ccc(OCCCOc2ccc(F)cc2)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.78253746
22269,COc1ccc(OCCN2CCC(F)(S(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.44268823
22270,COc1ccc(OCCN2CCC(Oc3ccc4ccccc4c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.59207875
22271,COc1ccc(OCCN2CCN(C(=O)c3ccccc3F)CC2)cc1C(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.24952698
22272,COc1ccc(OCCN=S(C)(=O)O)cc1CCOc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.1793837
22273,COc1ccc(OCCS(C)(=O)=O)cc1NCCCC1CCC2=CC(=O)CCC1C2,[*]CCOc1ccc(O[*])c([*])c1,0.21076721
22274,COc1ccc(OCCS(N)(=O)=O)cc1C1CCNC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.20523076
22275,COc1ccc(OCCSC)cc1CC1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.37953883
22276,COc1ccc(OCCSC)cc1N1CCC(=O)Nc2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.2706787
22277,COc1ccc(OCCSC)cc1NC(=O)Cc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.063685656
22278,COc1ccc(OCCc2ccc(SC)cc2)cc1S(=O)(=O)NC1CCC(Oc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.21417357
22279,COc1cccc(COc2cc3c(cc2C)C2Cc4cccc(OCc5ccccc5)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61043936
22280,COc1cccc2c1CN1CCc3cc(-c4cccc([N+](=O)N=O)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62396324
22281,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(OC)CC2)cc1N=S(C)(=O)O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35641453
22282,COc1ccsc1-c1cc(C(=O)NCCN2CCN(Cl)CC2)ccc1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3218874
22283,CSOc1ccc(OCCCS(=O)(=O)c2ccc3c(c2)CN(C)CCC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.24970707
22284,CSc1ccccc1N1CCN(CCN2CCC(c3ncc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7360986
22285,Cc1cc(OCCCCOc2cccc(N)c2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.08877198
22286,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(Nc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.13347869
22287,Cc1cc(OCCNC(=O)Cc2ccccc2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.016937975
22288,Cc1cc(OCCNC(=O)Cc2ccccc2)ccc1ON1CCC(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.060030423
22289,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCCC(Cc2ccc(C3CCOCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.14118327
22290,Cc1cc(OCCNS(C)(=O)=O)ccc1ONC1CCNC(=O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.13478863
22291,Cc1cccc2c1CN1CCc3cc(-c4ccc5[nH]ccc5c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59573865
22292,O=C1CN(c2cccc(CN3CCN(CCCF)CC3)c2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69334644
22293,O=C1Cc2ccccc2C1CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6744666
22294,OCc1cccc(COc2cc3c(cc2O)CCN2Cc4c(O)cccc4CC32)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68691915
22295,Oc1nc2ccc(OC3CCN(CCN4CCN(c5ccccc5Cl)CC4)CC3)cc2[nH]1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72520787
22296,CC(C)OCCCN1CCN(Cc2cccc(C3CC(=O)c4ccccc4C3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6971193
22297,CC(O)c1cccc(CN2CCN(CCCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60624033
22298,CCCN1C(=O)CCc2ccc(OCC(=O)CCOc3ccc(OC)c(OC)c3)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.18076837
22299,CCCOc1ccc(OCCOc2ccccc2NC)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09320617
22300,CCCOc1ccc(OF)c(CCN2CCN(c3ccccc3OC)C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32729134
22301,CCCOc1ccc(OOC)c(CN2CCCC(c3ccc(Cl)cc3)N(F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5534211
22302,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(C)(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21877408
22303,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(c3ccc(CC(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2863887
22304,CCCOc1ccc(OSC)c(N2CCCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2729056
22305,CCOc1ccccc1N1CCN(CCN2CCC(CCc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.762301
22306,CNC(Cc1ccccc1)c1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66049874
22307,COC1CCN(CCN2CCN(c3ccccc3-c3ncc(-c4ccccc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82032627
22308,COC1CCN(CCN2CCN(c3ccccc3-n3cc(C(F)(F)F)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74565935
22309,COC1CCN(CCN2CCN(c3ccccc3S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.60061586
22310,COCCOc1ccc(OC)c(CNc2ccccc2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07172168
22311,CON1CCN(CCNC(=O)c2ccc(-c3cccc(Cl)c3Cl)c(S(C)(=O)=O)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32249236
22312,COc1cc2c(cc1C)C1Cc3cccc(C(=O)OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40294987
22313,COc1cc2c(cc1O)C1Cc3cccc(OC4CCCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7869886
22314,COc1cc2c(cc1O)CCN1Cc3c(CNC(=O)c4c[nH]c5ccccc45)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46775615
22315,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(C[O-])cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6430609
22316,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cccc(C#N)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63735926
22317,COc1cc2c(cc1OC)C1Cc3cccc(-c4cccc(C(C)C)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56887066
22318,COc1cc2c(cc1OC)C1Cc3cccc(C(Cc4ccccc4)OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7909851
22319,COc1cc2c(cc1OCc1ccc(C#N)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7756321
22320,COc1cc2c(cc1OCc1ccc(F)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8034205
22321,COc1ccc(OCCC2CCN(CCc3ccccc3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6452129
22322,COc1ccc(OCCC=O)cc1NC(=O)Cc1ccc2c(c1)N(C)C(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.078530796
22323,COc1ccc(OCCCF)cc1CN1CCN(C(=O)c2ccc(SC)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.0849002
22324,COc1ccc(OCCCN2C(=O)CCc3ccccc32)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.28005546
22325,COc1ccc(OCCNC(=O)Cc2cccc(SC)c2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.014908862
22326,COc1ccc(OCCNC(C)=O)cc1CN1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3733393
22327,COc1ccc(OCCNCC2CCc3ccc(S(C)(=O)=O)cc3C2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.22382689
22328,COc1ccc(OCCNS(C)(=O)=O)cc1CCSc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.087669514
22329,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(COc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.33412394
22330,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Oc2ccc(CC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29015058
22331,COc1cccc(CN2CCN(CCCCOc3ccc4occc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63237405
22332,COc1cccc(Oc2cc3c(cc2OC)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7889161
22333,COc1ccccc1OC1CCN(CCN2CCN(c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71385777
22334,CS(=O)(O)=NCCOc1ccc(OF)c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1735141
22335,CSCCCN1CCN(Cc2cccc(NC(=O)c3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.37529346
22336,Cc1cc(OCCN2CCN(Cc3cccc(S(C)(=O)=O)c3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.39248902
22337,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(c2ccc(OCC3CCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.14983907
22338,Cc1cc(OCCNS(C)(=O)=O)ccc1OCOC(=O)Cc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.0824596
22339,Cc1cc2c(cc1NS(C)(=O)=O)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4350948
22340,Cc1ccc(OC2CCN(Oc3ccc(OCCN(C)S(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.22979659
22341,Cc1ccccc1N1CCN(CCN2CCC(c3nc4ccccc4s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66883844
22342,ClCCCN1CCN(Cc2cccc(C3Oc4ccccc4-c4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6338414
22343,ClCCCN1CCN(Cc2cccc(COc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64268637
22344,FCCCN1CCN(Cc2cccc(-n3cccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68690246
22345,N#Cc1ccc(COC(=O)Nc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38615817
22346,O=C(NCCCCN1CCN(Cc2cccc(F)c2)CC1)C1CCCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5861077
22347,O=C(NCc1ccccc1Cl)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46922737
22348,Oc1c2ccccc2cn1-c1cccc(CN2CCN(CCCOC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6414067
22349,Oc1ccc(-c2cccc(CN3CCN(CCCCl)CC3)c2)o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59039664
22350,Oc1cccc(F)c1C1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71176076
22351,C=C(C)c1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75805944
22352,CC(=O)c1ccc(SCCCCOc2ccc(ON3CCN(C)CC3)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.14299041
22353,CCCCN1CCN(Cc2cccc(C(=O)NC3CCCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53361505
22354,CCCCn1cc(Oc2ccc(OCCC)cc2CN2CCN(c3ccccc3OC)CC2)nn1,[*]CCOc1ccc(O[*])c([*])c1,0.75125766
22355,CCCOc1ccc(OF)c(CN2CCN(c3ccccn3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.66534
22356,CCCOc1ccc(ONS(C)(=O)=O)c(C(=O)CCc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1787015
22357,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(C(=O)Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19630753
22358,CCCOc1ccc(OOC)c(C2CCN(CCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6763104
22359,CCCOc1ccc(OOC)c(N2CCN(Cc3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6981256
22360,CCCOc1ccc(OS(C)(=O)=O)c(-c2ccn(CC)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06880953
22361,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(C(=O)SCc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14185774
22362,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(Oc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4906852
22363,CCNC(=O)Oc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4148012
22364,CCOc1ccccc1C1CCN(CCOc2ccc(OSC)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6268514
22365,COC(=O)Nc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c(OC)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3408184
22366,COC(=O)c1ccc(-c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)nc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7191716
22367,COC1CCN(CCN2CCN(c3ccccc3-c3nc(-c4ccc(F)cc4)cnc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7116505
22368,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4ncc5ccc(O)cc5c4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7682248
22369,COCCCN1CCN(Cc2cccc(-c3cccc(NC(=O)OC)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.29460657
22370,COCCCN1CCN(Cc2cccc(NC(=O)C3Cc4ccccc4-c4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.40282175
22371,COCCOc1ccc(OCN2CCc3ccccc3C2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.48858392
22372,COOc1ccc(OCCCN2CCN(c3ccc(CCF)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.73604953
22373,COc1cc(C(=O)NCCN2CCN(Br)CC2)ccc1-c1ccc(C)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.14705838
22374,COc1cc2c(cc1Cl)C1Cc3cccc(-c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7183555
22375,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(COC5CCCCC5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6424174
22376,COc1cc2c(cc1OC)C1Cc3cccc(Oc4ccc(COC(C)=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45286036
22377,COc1cc2c(cc1OC)C1Cc3cccc(S(=O)(=O)c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6317859
22378,COc1cc2c(cc1OC)C1Cc3cccc([N+](=O)O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66796094
22379,COc1ccc(OCCC(N)=O)cc1CCCc1ccc2c(c1)CC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.12463146
22380,COc1ccc(OCCCCCc2ccc3c(c2)CC(=O)CC3)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.23077664
22381,COc1ccc(OCCCN2CCC(c3ccccc3F)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.72844267
22382,COc1ccc(OCCCNS(=O)(=O)c2ccc(F)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.08551643
22383,COc1ccc(OCCF)cc1CS(=O)(=O)Cc1ccc(SC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.065542765
22384,COc1ccc(OCCF)cc1CS(=O)(=O)N1CCC(C(=O)c2ccccc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.09218914
22385,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(Oc2ccc(CC3CCCCC3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.17699525
22386,COc1ccc(OCCNC(=O)COc2ccc(C)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.012019725
22387,COc1ccc(OCCS(=N)(=O)O)cc1N1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27816015
22388,COc1ccc(OCCS(C)(=O)=O)cc1OCCc1ccc2c(c1)CCC(=O)N2,[*]CCOc1ccc(O[*])c([*])c1,0.17161682
22389,COc1cccc(CN2CCN(CCCC3CCC(=O)CC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62101406
22390,COc1cccc2c1CN1CCc3cc(CNc4ccccn4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6035779
22391,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(C(C)=O)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.19722575
22392,COc1ccccc1-c1cccc(CN2CCN(CCCCc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.75058645
22393,CSOc1ccc(OCCN2CCN(Cc3cccc(C(C)=O)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.3242217
22394,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(CCc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20463155
22395,Cc1cc(OCCc2ccc(F)cc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.0791539
22396,FC(F)(F)CCCN1CCN(Cc2cccc(N3c4ccccc4Cc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63976884
22397,Fc1ccccc1N1CCN(CCN2CCC(c3nc(-c4ccccc4)cs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6792153
22398,O=C(Nc1cccc(CN2CCN(CCCCl)CC2)c1)C1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.35599324
22399,O=S(c1ccccc1)c1cccc(CN2CCN(CCCOC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5415204
22400,OCc1cc2c(cc1C#Cc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6381669
22401,Oc1cc2c(cc1Nc1ccc(F)cc1F)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5565889
22402,Oc1cccc(CN2CCN(CCCCc3cccc4ccccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.725584
22403,Oc1nc2ccc(Oc3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)cc2[nH]1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7163898
22404,CC(=O)OCCOc1ccc(ONC=S(C)(N)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.021201912
22405,CC(C)c1ccccc1N1CCN(CCN2CCC(c3ccc(O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7362945
22406,CCCOc1ccc(OCCOc2ccc(F)cc2)c(C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08485197
22407,CCCOc1ccc(ON2CCN(c3ccccc3OC)C(=O)C2)c(SC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19923067
22408,CCCOc1ccc(OOC)c(N2CCC(C(=O)c3ccccc3F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1794571
22409,CCCOc1ccc(OS(N)(=O)=O)c(CCCc2ccc(C)o2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08838872
22410,CCOc1ccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.644314
22411,CCOc1ccc(C2CCN(Oc3ccc(OCCNS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.24048011
22412,COC(=O)N1CCN(CCCOc2ccc(OC)c(F)c2)c2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.19555755
22413,COC1CCN(CCN2CCN(c3ccccc3-c3cccc(C(F)(F)F)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7772125
22414,COCCCN1CCN(Cc2cccc(C3OCOc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6161925
22415,COc1cc2c(cc1-c1ccccc1)CCN1Cc3c(C=O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.649807
22416,COc1cc2c(cc1-c1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7487034
22417,COc1cc2c(cc1Cc1ccc(O)c3ccccc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7280369
22418,COc1cc2c(cc1O)C1Cc3cccc(CCc4ccc(N(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8585419
22419,COc1cc2c(cc1O)C1Cc3cccc(Cc4cccc5c(C#N)cccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78033257
22420,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cccc(N(C)C)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69854355
22421,COc1cc2c(cc1O)CCN1Cc3c(cccc3NC(=O)OCc3ccc(C#N)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.29817933
22422,COc1ccc(OCCC(C)=O)cc1CNCC1CCc2cc(OC)c(OC)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.27782854
22423,COc1ccc(OCCCCC2C(=O)CSc3ccccc3C2=O)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.16351576
22424,COc1ccc(OCCCN)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7572491
22425,COc1ccc(OCCCN2CCN(Cc3ccc(C)o3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.44382668
22426,COc1ccc(OCCCN=O)cc1CN1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5541306
22427,COc1ccc(OCCCNC(=O)c2ccc(C=S(C)O)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.033843756
22428,COc1ccc(OCCN=S(C)(=O)O)cc1CCC1CCc2ccccc2C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.17510745
22429,COc1ccc(OCCOC2CCNCC2)cc1S(=O)(=O)N(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.21067521
22430,COc1ccc(OCCSC)cc1CCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.12558106
22431,COc1ccc(OCCc2ccccc2OCC(F)(F)F)cc1NC(=O)c1ccc(SC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.060360022
22432,COc1ccccc1-c1cc(C(=O)NCCN2CCN(CF)CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.34059066
22433,COc1ccccc1C(=O)NCCOc1ccc(ON(C)C)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03911466
22434,COc1ccccc1CNC(=O)Oc1ccc(OCCF)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.034959137
22435,COc1ccccc1N1CCN(CCN2CCC(COc3ccc4c(c3)NC(=O)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8405176
22436,COc1ccccc1N1CCN(CCN2CCC(c3cnccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8780932
22437,CSc1ccccc1CCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72858334
22438,CSc1ccccc1N1CCN(CCN2CCC(c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.794817
22439,Cc1cc(OCCC=Cc2cccs2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.08636279
22440,Cc1cc(OCCCS(C)(=O)=O)ccc1ON1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24251929
22441,Cc1cc(OCCF)ccc1ONS(=O)(=O)c1cccc(Cl)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06545991
22442,Cc1cc(OCCN2CCN(c3ccc(Cl)cc3)CC2)ccc1OF,[*]CCOc1ccc(O[*])c([*])c1,0.753294
22443,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(c2ccc(CCC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.16429037
22444,Cc1cc(OCCNC(=O)Cc2ccc(F)cc2)ccc1ON1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.03411277
22445,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(Cc2ccc(C(N)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.080299936
22446,Cc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1ccccc1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2856811
22447,Cc1cccc2c1CN1CCc3cc(Cc4ccccc4C#N)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63383526
22448,FC(F)(F)c1ccc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)nn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7521757
22449,FCCOc1cccc(CN2CCN(CCCCc3cc4ccccc4s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69692814
22450,Fc1ccc(-c2cc(CCCN3CCN(Cc4cccc(Cl)c4)CC3)on2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7420223
22451,Fc1ccc(-c2ccc(C3CCN(CCN4CCN(c5ccccc5C(F)(F)F)CC4)CC3)cn2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8334033
22452,O=C(Cc1cccc(CN2CCN(CCCF)CC2)c1)c1ccc(F)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6018981
22453,O=C(NCCN1CCN(O)CC1)c1ccc(O)c(-c2ccccc2[N+](=O)[O-])c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.37528694
22454,O=C1C(c2ccccc2)=CCN1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65980124
22455,O=C1N(c2ccccc2)CCN1c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6802852
22456,O=S(=O)(NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)c1ccc(F)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76995796
22457,O=c1cccc(CCCN2CCN(Cc3cccc(Cl)c3)CC2)o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6600735
22458,C=COc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6740751
22459,C=Cc1ccc(CC2CCN(Oc3ccc(OCCNS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.23168272
22460,CCC(C)Oc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64843845
22461,CCCN(C)c1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7545124
22462,CCCOc1ccc(OCOc2ccc(F)cc2)c(CN2CCN(C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5637128
22463,CCCOc1ccc(ON)c(CNc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.048956215
22464,CCCOc1ccc(ONS(C)(=O)=O)c(C=CCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.067249574
22465,CCCOc1ccc(ONS(C)(=O)=O)c(CC(=O)COc2ccc3c(c2)CCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11589654
22466,CCCOc1ccc(ONS(C)(=O)=O)c(NC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.024109406
22467,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC2Cc2cccc3c2CCC(=O)N3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2201837
22468,CCCOc1ccc(OSC)c(N2CCCC(Oc3ccc(CCF)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2944217
22469,CCOc1cccc(-c2cc3c(cc2OC)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65329593
22470,CCOc1ccccc1N1CCN(c2cc(OCCCN)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29139543
22471,COC(=O)N1CCN(c2cc3c(cc2Cl)C2Cc4cccc(Cl)c4CN2CC3)CC1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.30281484
22472,COC1CCN(CCN2CCN(c3ccccc3-c3nnc(-c4ccc(F)cc4)o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7936719
22473,COOc1ccc(OCCCCCc2ccc3c(c2)NC(=O)CCC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.22155945
22474,COOc1ccc(OCCOC(=O)CCc2ccc3c(c2)CC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.09374546
22475,COc1c(Cl)cccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35818595
22476,COc1cc(OC)cc(C2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8832339
22477,COc1cc2c(cc1C(=O)Nc1ccc(Cl)cc1Cl)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.33594108
22478,COc1cc2c(cc1CNC(=O)COc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.23111175
22479,COc1cc2c(cc1CO)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7790409
22480,COc1cc2c(cc1O)CCN1Cc3c(COCc4ccc(C(F)(F)F)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77525723
22481,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cc(C#N)ccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.731024
22482,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(cccc3CN(C)C)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77262235
22483,COc1ccc(NC(=O)NC2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67870826
22484,COc1ccc(OCCC(F)(F)F)cc1CN1CCC(NC(=O)c2ccc(SC)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.4462154
22485,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC(C)O4)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5304833
22486,COc1ccc(OCCN2CCC(S(=O)(=O)c3ccccc3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.72323054
22487,COc1ccc(OCCNC(=O)Cc2ccc(OC3CCNC3)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.030985152
22488,COc1ccc(OCCNC(=O)Cc2ccc3c(c2)CC(=O)CC3)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08098878
22489,COc1ccc(OCCNS(=O)(=O)c2cccc(C(C)C)c2)cc1N1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.44313034
22490,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCCC(Oc2ccc3c(c2)NC(=O)CC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.34925467
22491,COc1ccc(OCCS(C)(=O)=O)cc1CCCc1ccc(OC2CCCCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.16110775
22492,COc1ccc(OCCS(C)(=O)=O)cc1N1CCN(Cc2ccc(SC)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5695821
22493,COc1ccc(OCCc2cccc(C(C)c3ccccc3)c2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.11671185
22494,COc1cccc(-c2csc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)n2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70570636
22495,COc1cccc(CN2CCN(CCCCN3CC(=O)c4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6892678
22496,COc1cccc2c1CN1CCc3cc(Cc4ccc(N)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.694618
22497,COc1cccc2c1CN1CCc3cc(Cc4ccccc4)c(CO)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5613118
22498,COc1ccccc1N1CCN(CCN2CCC(c3cc(O)nc4c(O)cccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7102179
22499,COc1ccccc1N1CCN(Oc2ccc(OCCNC(=O)CCc3ccccc3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1371092
22500,CS(=O)(O)=CNOc1ccc(OCCF)cc1CN1CCCC(Cc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.24030879
22501,Cc1cc(OCCN2CCCC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.37655607
22502,Cc1cc(OCCNCCCc2ccc(F)cc2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.26332074
22503,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(Cc2ccccc2OC2CCC2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23829962
22504,Cc1ccccc1N1CCN(CCN2CCC(c3coc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.61663246
22505,ClCCCN1CCN(Cc2cccc(-c3ccc4ncccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6672302
22506,N#Cc1cccc(COCc2cccc3c2CN2CCc4cc(O)c(Cl)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72652453
22507,O=C(Nc1ccccc1N1CCN(CCN2CCC(O)CC2)CC1)c1ccc2ccccc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.45278862
22508,O=C1c2ccccc2CC1c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6870618
22509,O=C1c2ccccc2N1Cc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6358592
22510,O=S1(=O)Cc2ccccc2N1CCCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.76178896
22511,Oc1c(-c2ccccc2)ccn1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7639972
22512,C=C(O)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7275999
22513,C=Cc1ccccc1OC1CCC(NCCOc2ccc(OSC)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1816555
22514,C=S(O)(O)=NCCOc1ccc(OCCCc2ccccc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.111652225
22515,CC1Cc2ccsc2N(CCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57751393
22516,CCCOc1ccc(OC)c(NS(=O)(=O)c2ccc(CC(N)=O)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.020159531
22517,CCCOc1ccc(OF)c(CN2CCN(Cc3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.57581973
22518,CCCOc1ccc(ONC(CC)c2ccccc2)c(N2CCN(CCOC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7461471
22519,CCCOc1ccc(OS(=O)(=O)c2ccccc2)c(NCC2CCCCN2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13569763
22520,CCCOc1ccc(OS(N)(=O)=O)c(CN2CCc3ccccc3C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28373072
22521,CCCOc1ccc(O[N+](=O)[O-])c(N2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2732568
22522,CCCc1cc2c(cc1-c1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6912746
22523,CCOc1cccc(CN2CCN(CCCOc3ccc(OC)c(O)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.46547854
22524,CCc1cccc2c1CN1CCc3cc(OC)c(C(=O)OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5603392
22525,CN(C(=O)c1ccccc1)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.45056584
22526,CN(Cc1cccc(CN2CCN(CCCCl)CC2)c1)S(=O)(=O)c1ccc(F)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.44448343
22527,COC1CCN(CCN2CCN(c3ccccc3C34C=CC=CC3=CC(O)=N4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6405777
22528,COCCCN1CCN(Cc2cccc(-c3ccc(S(=O)(=O)[O-])cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48206252
22529,COCCCN1CCN(Cc2cccc(COc3ccc(F)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5476503
22530,COCCOc1ccc(OCNc2ccccc2OCCF)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08738942
22531,COCCc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8191823
22532,COOc1ccc(OCCN2CCN(c3ccc(C)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5261514
22533,COc1cc2c(cc1-c1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70536333
22534,COc1cc2c(cc1-c1ccccc1N(C)C)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69349545
22535,COc1cc2c(cc1O)C1Cc3cccc(-c4ccnc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59306705
22536,COc1ccc(OCCCc2ccc(OC3CCCCN3)cc2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.20667757
22537,COc1ccc(OCCF)cc1CN1CCC(C(=O)c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.47428218
22538,COc1ccc(OCCN2CCC(c3ccc(C(C)=O)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.59006286
22539,COc1ccc(OCCN2CCN(c3ccccc3OC)CC2)cc1OC(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.8897158
22540,COc1ccc(OCCN=S(C)O)cc1N1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.27494636
22541,COc1ccc(OCCNC(=O)CCc2ccccc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.030473234
22542,COc1ccc(OCCOC2CCCCC2)cc1NS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.103600785
22543,COc1cccc(CN2CCN(CCCOc3ccc(F)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6628173
22544,COc1cccc2c1CN1CCc3cc(NC=O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5699766
22545,COc1cccc2c1CN1CCc3cc(OC(=O)C4CC4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52695715
22546,COc1ccccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1C(N)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.38912895
22547,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccncc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7939005
22548,COc1ccccc1N1CCN(CCN2CCC(CNc3ccc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7734156
22549,COc1ccccc1N1CCN(CCN2CCC(Nc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8180863
22550,Cc1cc(OCCF)ccc1OCNCc1cc2ccccc2o1,[*]CCOc1ccc(O[*])c([*])c1,0.102747105
22551,Cc1cc(OCCN2CCC(Cc3ccc(F)cc3)CC2)ccc1OOS(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.57674265
22552,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCC4)SC2)ccc1ON(C)S,[*]CCOc1ccc(O[*])c([*])c1,0.5697614
22553,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(Cc2ccc(C3CCC(=O)NC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.12969588
22554,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(c2ccc(OC3CCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.14765346
22555,Cc1cc(OCCNC(=O)Cc2ccc(C=O)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.038940735
22556,Cc1cc(OCCNS(=O)(=O)c2ccccc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.099256985
22557,Cc1cc2c(cc1O)C1Cc3cccc(OCc4ccc(CO)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5856744
22558,Cc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(CO)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.678194
22559,N#Cc1cc2c(cc1O)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6787753
22560,N#Cc1ccc(COc2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7190913
22561,O=C(Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)c1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36366838
22562,O=C1Nc2ccccc2CC1c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6106
22563,O=c1ccc2c(-c3cccc(CN4CCN(CCCCl)CC4)c3)cccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5909968
22564,Oc1ccc2c(c1)nc(O)n2-c1ccccc1N1CCN(CCN2CCC(C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.772002
22565,CC(=O)NOc1ccc(OCCCc2ccc(S(C)(=O)=O)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.04873978
22566,CC(=O)S(=O)(=O)OCCOc1ccc(ONCCc2ccccc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03563271
22567,CC(C)(C)c1ccccc1N1CCN(CCN2CCC(c3cccc(O)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7808757
22568,CC1Cc2ccccc2N1C(=O)CCCN1CCN(Cc2cccc(O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7416388
22569,CCCOc1ccc(OC(=O)COc2ccccc2)c(NCCOC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0337028
22570,CCCOc1ccc(OC(C)=O)c(N2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17447066
22571,CCCOc1ccc(ON)c(CN2CCN(CC(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1784936
22572,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(c3ccccc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18645865
22573,CCCOc1ccc(ONC(C)c2ccccc2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10517867
22574,CCCOc1ccc(OS(C)(=O)=O)c(N2C(=O)Cc3ccc(CC4CCCCC4)cc3C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21214132
22575,CCCOc1ccc(OS(N)(=O)=O)c(NC(=O)COc2ccccc2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.004347777
22576,CCCc1ccc(CCOc2ccc(OC)c(C(=O)C3CCNCC3)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.0853478
22577,CCOc1cc(C)ccc1C(=O)NOc1ccc(OCCNS(C)(=O)=O)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.016700247
22578,CCOc1ccccc1N1CCN(CCN2CCC(c3cccc(-c4ccc(F)cc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7054335
22579,CCOc1ccccc1N1CCN(CCN2CCC(n3c(O)cc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7641519
22580,COC(=O)c1ccccc1N1CCN(CCN2CCC(c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67922825
22581,COc1cc(C(=O)NCCN2CCN(c3cccc(C)c3C)CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.7261028
22582,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc5c(CO)cccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6542539
22583,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3ccc(CN(C)C)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.671907
22584,COc1ccc(CC(=O)Nc2cc(OCCN=S(C)(=O)O)ccc2OC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.010362553
22585,COc1ccc(OCCC(=O)COc2ccc(C(F)(F)F)cc2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.018289473
22586,COc1ccc(OCCCNS(C)(=O)=O)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.0996323
22587,COc1ccc(OCCCS(=O)(=O)c2cccc(F)c2)cc1CN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.22795984
22588,COc1ccc(OCCN2CCC(C(=O)c3ccccc3F)CC2)cc1CSC,[*]CCOc1ccc(O[*])c([*])c1,0.5667589
22589,COc1ccc(OCCN2CCC(NC(C)=O)CC2)cc1NS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.37298936
22590,COc1ccc(OCCN2CCC3(CCCCC3)CC2=O)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.19741097
22591,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1NC(=O)C1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.026161026
22592,COc1ccc(OCCNC(C)=O)cc1CN1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.16097268
22593,COc1ccc(OCCNC(C)=O)cc1CS(=O)(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.032347493
22594,COc1ccc(OCCNCC(C)c2ccccc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.15934473
22595,COc1ccc(OCCS(C)(=O)=O)cc1CCCc1ccco1,[*]CCOc1ccc(O[*])c([*])c1,0.08791958
22596,COc1cccc(COc2cc3c(cc2CO)CCN2Cc4c(cccc4OC)CC32)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6315866
22597,COc1cccc(Cc2cccc(CN3CCN(CCCC(F)(F)F)CC3)c2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5416862
22598,COc1cccc2c1CN1CCc3cc(C=N)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72896796
22599,COc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7871254
22600,CS(=O)(=O)Oc1ccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6374227
22601,CSc1cccc(CN2CCN(CCCC3CCC(c4ccccc4)C3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7428968
22602,CSc1ccccc1N1CCN(CCN2CCC(c3ccc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71649855
22603,Cc1cc(OCCCN2CC(Cc3ccc(F)cc3)CCO2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.18059139
22604,Cc1cc(OCCCN=S(C)(=O)O)ccc1ON1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18189898
22605,Cc1cc(OCCCNC2CCN(Cc3ccccc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4696667
22606,Cc1cc(OCCCNS(C)(=O)=O)ccc1ON1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.20768493
22607,Cc1cc(OCCCS(C)(=O)=O)ccc1ON1CCC(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28147778
22608,Cc1cc(OCCN2CCC(Cc3ccc4sccc4c3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5344425
22609,Cc1cc(OCCN2CCC(Cc3cccc(N4CCOC4=O)c3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5920802
22610,Cc1cc(OCCN2CCC(c3cnc(O)c4cc(F)ccc34)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.57522327
22611,Cc1cc(OCCN2CCN(c3ccc(F)cc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6903409
22612,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCCCCC(Cc2ccc3c(c2)NC(=O)CC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2523577
22613,Cc1cc(OCCNS(=O)(=O)O)ccc1ON1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.15491046
22614,Clc1cccc(CN2CCN(CCCCOc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.79927105
22615,O=C(NCCN1CCN(O)CC1)c1ccc(Cl)c(-c2ccccc2)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.42173126
22616,O=C(Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)Nc1c(Cl)cccc1Cl,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46555376
22617,O=C(c1cc(O)nc2ccccc12)C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6806718
22618,OCc1csc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65684986
22619,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8347214
22620,CC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.41142872
22621,CCCOc1ccc(OCCOc2ccccc2)c(NC=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.100165874
22622,CCCOc1ccc(OCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4812312
22623,CCCOc1ccc(OCN2CCN(c3ccccc3OC)CC2)c(NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6550376
22624,CCCOc1ccc(ON2C=CC(C(=O)O)CC2)c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13609995
22625,CCCOc1ccc(ON=S(C)(=O)O)c(NCCc2ccc3c(c2)CCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12859337
22626,CCCOc1ccc(OOC)c(N2CCC(NC(=O)c3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20262292
22627,CCCOc1ccc(OS(C)(=O)=O)c(-c2c(CC3CCCCC3)ccc3c2C(=O)NCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2468706
22628,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.025387187
22629,CCCOc1ccc(OS(N)(=O)=O)c(C(F)COc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27901796
22630,CCCOc1ccc(OS(N)(=O)=O)c(N2CCCC(Cc3ccc(C4CCCC(=O)N4)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20703879
22631,CCNCCc1cc(OCCc2ccc(F)cc2)ccc1OOC,[*]CCOc1ccc(O[*])c([*])c1,0.13111718
22632,CCOc1cccc(CN2CCN(CCCCc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.71546215
22633,CCOc1ccccc1C1CCN(CCCOc2ccc(OC)c(S(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6167419
22634,COCCOc1ccc(OC)c(C2CCN(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.59931564
22635,COCCOc1ccc(OC)c(N2CCN(c3cccc(C(C)C)n3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.345883
22636,COc1cc2c(cc1COCc1ccccc1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5873187
22637,COc1cc2c(cc1O)C1Cc3cccc(Cc4cccc([N+](=O)C(=O)O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5153737
22638,COc1cc2c(cc1O)CCN1Cc3c(COC4CCCCC4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7229182
22639,COc1cc2c(cc1OC)C1Cc3cccc(CNCc4cccc(CO)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5953341
22640,COc1cc2c(cc1OCc1ccc(CO)cc1)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5988613
22641,COc1ccc(OCCC2CCCC(Cc3ccc4c(c3)NC(=O)CC4)C2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2743155
22642,COc1ccc(OCCCc2ccc(S(C)(=O)=O)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06280333
22643,COc1ccc(OCCCc2ccccc2)cc1N(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.19900092
22644,COc1ccc(OCCN2CCCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.57365376
22645,COc1ccc(OCCNCc2ccccn2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.18286051
22646,COc1cccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2Br)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3089498
22647,COc1cccc(C(C)CNCCOc2ccc(OOS(C)(=O)=O)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13943198
22648,COc1cccc(CCCCN2CCN(Cc3cccc(OC(F)(F)F)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5903258
22649,COc1cccc2c1CN1CCc3cc(-c4ccc(-c5ccccc5)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.688942
22650,COc1cccc2c1CN1CCc3cc(C=Cc4ccccc4Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66409385
22651,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc4ccc(F)cc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7675819
22652,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9254314
22653,CSOc1ccc(OCCC(=O)COc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.11096929
22654,CSOc1ccc(OCCN2CCC(NS(=O)(=O)c3cccs3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6698648
22655,Cc1cc(OCCC2(F)CCCC(Nc3ccc(F)c(F)c3)C2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.080584496
22656,Cc1cc(OCCCN2CCN(C)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.50728506
22657,Cc1cc(OCCF)ccc1ON1CCN(S(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.15025227
22658,Cc1cc(OCCN(C)S(C)(=O)=O)ccc1ON1CCC(Oc2ccc(CCCF)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25853577
22659,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCC4)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6432615
22660,Cc1cc(OCCN2CCCC(Cc3ccccc3)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.41432902
22661,Cc1cc(OCCN2CCN(Cc3ccccc3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.52778524
22662,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.16119176
22663,Cc1cc(OCCOC(=O)CCc2ccc3c(c2)CCCC3)ccc1ONC=O,[*]CCOc1ccc(O[*])c([*])c1,0.05139749
22664,Cc1cc(OCCS(C)(=O)=O)ccc1OOc1ccc(CC2CCCNC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.14364904
22665,Cc1cccc(CN2CCN(CCCC(=O)N3c4ccccc4CC3C)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.71561486
22666,Cc1ccccc1N1CCN(CCN2CCC(C(=O)NCc3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.59080404
22667,ClCCCN1CCN(Cc2cccc(-c3cc4cccnc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.43599287
22668,Fc1ccccc1N1CCN(CCN2CCC(c3cccc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6925361
22669,O=C(Nc1ccccc1N1CCN(CCN2CCC([N+](=O)[O-])CC2)CC1)c1ccc2ccccc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.455273
22670,O=C1CC2(CCCC2)CC(=O)N1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69991726
22671,O=c1oc2ccccc2cc1CCCN1CCN(Cc2cccc(OCCF)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.652855
22672,Oc1cccc(-c2cccc(CN3CCN(CCCF)CC3)c2)n1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72446203
22673,CC(=O)ON1CCN(CCNC(=O)c2ccc(O)c(-c3cccc(Cl)c3Cl)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30947995
22674,CC1CCN(CCN2CCN(c3ccccc3Cc3cnc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7594941
22675,CCCCOc1ccc(ON2CCC(c3ccccc3)C=CN2C)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37866047
22676,CCCOc1ccc(OCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7892335
22677,CCCOc1ccc(ON2CCC(c3ccccc3C)CC2)c(OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2789521
22678,CCCOc1ccc(ON2CCCN(c3ccc(C(F)(F)F)cc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30122358
22679,CCCOc1ccc(ONC(=O)COc2ccccc2F)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.55238545
22680,CCCOc1ccc(OOC)c(CNC(=O)c2cccc(OCC)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.02176122
22681,CCCOc1ccc(OOC)c(N2CCN(c3ccc(F)cc3CF)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31516775
22682,CCCOc1ccc(OS(C)(=O)=O)c(CCOc2ccccc2CCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15949368
22683,CCCOc1ccc(OS(C)(=O)=O)c(CCc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27958122
22684,CCOc1ccccc1N1CCN(c2cc(OCCC(=O)NC)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.248015
22685,CCc1cc2c(cc1OCc1cccc(OC)c1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59242845
22686,CNC(=O)OOc1ccc(OCCNCCc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.11700756
22687,COC1CCN(CCN2CCN(c3ccccc3-n3c(O)nc4cc(F)ccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7227679
22688,COC1CCN(CCN2CCN(c3ccccc3-n3nc(-c4ccccc4)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7470868
22689,COC1CCN(CCN2CCN(c3ccccc3NS(=O)(=O)c3cccc(C#N)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.60308725
22690,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc(Oc4ccc5c(c4)NC(=O)CC5)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81341016
22691,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccc(O)o1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.18681812
22692,COc1cc2c(cc1Br)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70328003
22693,COc1cc2c(cc1F)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75263894
22694,COc1cc2c(cc1O)C1Cc3cccc(Cc4cc5ccccc5[nH]4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71682715
22695,COc1cc2c(cc1O)C1Cc3cccc(OCc4cccc(F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6874543
22696,COc1cc2c(cc1OC)C1Cc3cccc(-c4cccc(O[N+](=O)[O-])c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45893735
22697,COc1cc2c(cc1OCc1ccc(C#N)cc1)C1Cc3cccc(C(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74930143
22698,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccc(O)o1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2088407
22699,COc1ccc(OCCN)cc1CCOc1ccccc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.16109335
22700,COc1ccc(OCCN2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.6684442
22701,COc1ccc(OCCNC(=O)Cc2ccc3c(c2)NC(=O)CC3)cc1N(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.06891434
22702,COc1ccc(OCCNCCc2ccc3c(c2)C(=O)CC3)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1836767
22703,COc1ccc(OCCNCc2ccc(C(=O)c3ccccc3)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.15527545
22704,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(Oc2cccc3ccccc23)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.35352194
22705,COc1cccc(-c2cccc(CN3CCN(CCCF)CC3)c2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6196888
22706,COc1cccc(CN2CCN(CCCC3(O)C(=O)Nc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.44483718
22707,COc1cccc(CN2CCN(CCCN3C(=O)CCc4ccccc4C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.79454154
22708,COc1cccc2c1CN1CCc3cc(-c4cccc5ncccc45)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63056487
22709,COc1cccc2c1CN1CCc3cc(C(=O)Cc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4886557
22710,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(OC)CC2)cc1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3742731
22711,COc1ccccc1CCCCN1CCN(Cc2cccc(NC(=O)c3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4199245
22712,COc1ccccc1N1CCN(CCN2CCC(c3cccc(Cl)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9076257
22713,COc1ccccc1NCc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45791212
22714,CS(=O)(=O)NCCOc1ccc(OF)c(CN2CCCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3239939
22715,CSc1ccc(C2(O)CCN(CCOc3ccc(ON)c(C)c3)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.4648616
22716,C[SH](=O)(O)c1cccc(CN2CCN(CCCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65493274
22717,Cc1cc(OCCF)ccc1ONS(=O)(=O)Cc1ccc(Cl)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.061471686
22718,Cc1cc(OCCS(C)(=O)=O)ccc1OCCCc1ccccc1OC1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.2894435
22719,Cc1cc2c(cc1O)CCN1Cc3c(CCCc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6128339
22720,Cc1ccc(CCCN2CCN(Cc3cccc(-c4ccccc4)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59744287
22721,Clc1cccc(CN2CCN(CCCc3coc4ccccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.74616235
22722,O=C(CCCCN1CCN(Cc2cccc(Cl)c2)CC1)c1ccco1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6110965
22723,O=C(OCc1ccc(C(F)(F)F)cc1)c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.561475
22724,OCC1CCN(CCN2CCN(c3ccccc3COc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.663286
22725,OCC1CCN(CCN2CCN(c3ccccc3Oc3ccc4nc(O)ccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.778268
22726,Oc1cc2c(cc1O)C1Cc3cccc(COCc4cccnc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6976774
22727,CC(C)Oc1ccccc1N1CCN(CCN2CCC(Oc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8609376
22728,CCC1Cc2ccc(CC(=O)NCCOc3ccc(ONS(C)(=O)=O)c(C)c3)cc2N(C)C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.10700661
22729,CCCOc1ccc(OC)c(NS(=O)(=O)c2ccccc2C(N)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.026720846
22730,CCCOc1ccc(OC=O)c(CN2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7553696
22731,CCCOc1ccc(OF)c(N2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25795397
22732,CCCOc1ccc(ON2CCN(c3ccc(F)cc3)CC2)c(C(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13902009
22733,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(Oc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22346535
22734,CCCOc1ccc(ONS(C)(=O)=O)c(Cc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07543194
22735,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28951105
22736,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3ccc(F)cc3)CC2CF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23894438
22737,CCCOc1ccc(OSC)c(N2CCN(Cc3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.78580743
22738,CCCOc1ccc(Oc2ccc(F)cc2)c(CN2CCN(c3cccc(OC)c3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.671334
22739,CCOc1ccccc1N1CCN(COc2ccc(OCCF)cc2S(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6229582
22740,CN1CCN(CCNC(=O)c2ccc(Cl)c(-c3cccc([N+](=O)[O-])c3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.22049175
22741,CNc1cc(OCCN2CCC(C(=O)c3cccc(C(C)=O)c3)CC2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.47309446
22742,COC(=O)c1cccc2c1CN1CCc3cc(C)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4380093
22743,COC1=CN(CCCOc2ccc(OC)c(-c3ccc(F)cc3)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3829182
22744,COC1CCN(CCN2CCN(c3ccccc3Oc3ccncc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.93860644
22745,COCCCN1CCN(Cc2cccc(N3C(=O)Nc4ccccc4S3(=O)=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.504803
22746,COOc1ccc(OCCNCC2CC(=O)c3ccccc3C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.14817652
22747,COc1c(C(=O)NC2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)ccc2ccccc12,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6398764
22748,COc1cc2c(cc1O)C1Cc3cccc(CNCc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65461725
22749,COc1cc2c(cc1OC)C1Cc3cccc(SOc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.80348516
22750,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(cccc3OC(F)(F)F)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8141287
22751,COc1ccc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7929828
22752,COc1ccc(OCCCN2CCC(c3cc(C)on3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.69936424
22753,COc1ccc(OCCN)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8459203
22754,COc1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1S(=O)(=O)N(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.54721296
22755,COc1ccc(OCCN2CCC(OC3=CC=C4C=CC(CCCCC3)C4)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.475389
22756,COc1ccc(OCCN2CCCC(Cc3cccc(F)c3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4377436
22757,COc1ccc(OCCN2CCN(Cc3ccccc3)CC2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.56080526
22758,COc1ccc(OCCNC(=O)CCc2ccccc2)cc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.02987107
22759,COc1ccc(OCCNC(C)=O)cc1CCNc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.029062968
22760,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCCC(Oc2ccc(C(F)(F)F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.23799212
22761,COc1ccc(OCCS(C)(=O)=O)cc1C(C)COc1ccc(CF)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.049100988
22762,COc1ccc(OCCS(C)(=O)=O)cc1CN1CCC(Oc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.41528457
22763,COc1cccc(CN2CCN(CCCc3cc(-c4ccccc4)on3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57290924
22764,COc1cccc(Cc2cc3c(cc2Br)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60497916
22765,COc1cccc2c1CN1CCc3cc(CON)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7161299
22766,COc1ccccc1N1CCN(CCN2CCC(CNCc3ccc(O)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8192404
22767,COc1ccccc1N1CCN(CCN2CCC(c3ccc4ccc(F)nc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7081022
22768,CSOc1ccc(OCCN2CCC(Oc3ccccc3C=O)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5649982
22769,CSOc1ccc(OCCNC(=O)Cc2ccc(C3CCNC3=O)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.026539536
22770,CSc1cccc(CN2CCN(CCCC(=O)c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6279347
22771,C[N+]Cc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.84815997
22772,Cc1cc(OCCC(C)COc2ccc3c(c2)NC(=O)CC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.19484764
22773,Cc1cc(OCCN2CCN(c3ccccc3F)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.49802253
22774,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCCC(Cc2ccc(OC3CCCCC3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.13916682
22775,Cc1cc(OCCNS(C)(=O)=O)ccc1OCN1CCC(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31469098
22776,N#Cc1cc2c(cc1O)C1Cc3cccc(Oc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6857073
22777,O=C(NCc1ccccc1)Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.45014444
22778,O=C1c2cc(F)ccc2CC1C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7207489
22779,OC1CCN(CCN2CCN(c3ccccc3Nc3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.48463273
22780,Oc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(CCc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7295629
22781,C#Cc1ccccc1-c1ccc(C(=O)NCCN2CCN(C)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2848979
22782,C=CCOc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6964505
22783,C=S(C)CCOc1ccc(OC)c(N2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.45816144
22784,CC(=O)c1ccc2c(c1)CC(CCCOc1ccc(ONS(C)(=O)=O)c(C)c1)CC2=O,[*]CCOc1ccc(O[*])c([*])c1,0.1244236
22785,CCCNc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64192945
22786,CCCOc1ccc(OCCCc2ccccc2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11470463
22787,CCCOc1ccc(ON2CCCC2C(=O)OCC)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1270682
22788,CCCOc1ccc(ON2CCN(Cc3ccc(F)c(F)c3)CC2)c(N=S(C)(=O)O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3283207
22789,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)Cc2ccc(OC3CCCCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03104353
22790,CCCOc1ccc(OS(N)(=O)=O)c(N2CCCC2COc2ccc3c(c2)CCC(=O)N3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2443649
22791,CCOc1cc(CCOc2ccc(OOC)c(C)c2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.051561356
22792,CCOc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccccn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7918425
22793,CCSc1ccc(S(=O)(=O)Nc2cc(OCCCCC(=O)c3ccc(F)s3)ccc2OC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.03525919
22794,COC(=O)C1CCN(CCN2CCN(c3ccccc3-c3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7831103
22795,COC1CCN(CCN2CCN(c3ccccc3-n3ccc(C(F)(F)F)cc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.59073097
22796,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4c(O)nc(O)cc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8109762
22797,COCCCN1CCN(Cc2cccc(-c3coc(-c4ccccc4)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5076291
22798,COCCCN1CCN(Cc2cccc(C(=O)N3C(=O)Cc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56983083
22799,COCCOc1ccc(OC)c(N2CCN(c3ccccc3CCCF)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31253767
22800,COCc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77983856
22801,COOc1ccc(OCCc2ccc(F)cc2)cc1CCCn1cc(C)cn1,[*]CCOc1ccc(O[*])c([*])c1,0.13107179
22802,COc1cc2c(cc1C(=O)OCc1cccc(C#N)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42896065
22803,COc1cc2c(cc1CO)CCN1Cc3c(cccc3Oc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70496416
22804,COc1cc2c(cc1Cl)CCN1Cc3c(cccc3-c3ccc(CO)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59142613
22805,COc1cc2c(cc1O)C1Cc3cccc(Oc4ccc5c(c4)NC(=O)CC5)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6323268
22806,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6572282
22807,COc1cc2c(cc1[N+](=O)c1ccc(C#N)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5892589
22808,COc1ccc(OCCC(F)CCc2ccc3c(c2)NC(=O)CC3)cc1S(=O)(=O)C1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.28696057
22809,COc1ccc(OCCC(F)COc2ccccc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.12532297
22810,COc1ccc(OCCC2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.23936805
22811,COc1ccc(OCCCCN2CCN(c3ccccc3OC)CC2)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.89079344
22812,COc1ccc(OCCN2CC(F)CCc3ccccc32)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.32287252
22813,COc1ccc(OCCN2CCC(NC(=O)c3ccc(F)cc3)C2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.5405336
22814,COc1ccc(OCCN2CCC(OCc3ccc4c(c3)NC(=O)CC4)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.65186137
22815,COc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1N1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.23773609
22816,COc1ccc(OCCS(C)(=O)=O)cc1C1CCCC(Cc2ccc(OC3CCNC(=O)C3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.15251325
22817,COc1ccccc1NC(=O)c1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.43280643
22818,CS(=O)(=O)CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59597
22819,Cc1cc(OCCF)ccc1OCNCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.12739101
22820,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCOCC1,[*]CCOc1ccc(O[*])c([*])c1,0.07881643
22821,Cc1cc(OCCNC(=O)Cc2ccccc2)ccc1ONCC1CCSN1C,[*]CCOc1ccc(O[*])c([*])c1,0.08334823
22822,Cc1cc2c(cc1-c1cccc(C#N)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63162106
22823,Cc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc(N)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6531663
22824,ClCCCN1CCN(Cc2cccc(Oc3cccc4c3CCN4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60322124
22825,Clc1cccc(CN2CCN(CCCC3SCCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6484903
22826,Fc1ccc(-c2ccccc2N2CCN(CCN3CCC(F)CC3)CC2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7676768
22827,O=C(Nc1ccc2ccccc2c1)C1CCN(CCN2CCN(c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.49983013
22828,O=C(Oc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)C1CCc2ccc(O)cc2C1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7565957
22829,O=S(=O)(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1cc(Cl)ccc1F,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.50741047
22830,Oc1cc2c(cc1O)C1Cc3cccc(CNC4CCCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6342439
22831,Oc1cccc2c1CN1CCc3cc(CNCc4cc5ccccc5[nH]4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56546795
22832,CC(=O)OCC(C)CCOc1ccc(ONS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.013558213
22833,CC(C)c1ccccc1N1CCN(CCN2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68872637
22834,CC1CCN(CCN2CCN(c3ccccc3NC(=O)c3cnn4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.3764636
22835,CC1Cc2ccccc2N1c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6365256
22836,CCCCc1ccc(Oc2cc(OCCC)ccc2ONS(C)(=O)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06990108
22837,CCCOc1ccc(OC(C)=O)c(N2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16489068
22838,CCCOc1ccc(OC)c(CN2CCCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7818352
22839,CCCOc1ccc(OF)c(CN2CCC(Oc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.58208627
22840,CCCOc1ccc(ON2CCC(c3ccc(F)cc3)CC2)c(C(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19236289
22841,CCCOc1ccc(OS(=O)(=O)O)c(NCCc2ccc(OC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.056799196
22842,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3cc(F)ccc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2883257
22843,CCCOc1ccc(OS(C)(=O)=O)c(NCCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08880427
22844,CCCOc1ccc(OSC)c(N2CCC(NC(=O)c3cccc(C(C)=O)c3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16307487
22845,COC(CCc1ccc2c(c1)NC(=O)CC2)Oc1ccc(OCCN=S(C)(=O)O)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.14918773
22846,COC1CCN(CCN2CCN(c3ccccc3-c3nc4ccc3C=CC=C4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5707359
22847,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3ccc4cccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7301642
22848,COC1CCN(CCN2CCN(c3ccccc3COc3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7041863
22849,COC1CCN(CCN2CCN(c3ccccc3Nc3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5067698
22850,COC1CCN(CCN2CCN(c3ccccc3Oc3cc4ccc(O)cn4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79795617
22851,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4c(c3)NC(=O)CO4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79742765
22852,COCCOc1ccc(OC)c(CCOc2ccccc2C(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15626849
22853,COc1cc2c(cc1-c1ccccc1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6805153
22854,COc1cc2c(cc1C#Cc1ccccc1)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63643193
22855,COc1cc2c(cc1CNC(C)=O)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4481627
22856,COc1cc2c(cc1O)C1Cc3cccc(OS(C)(=O)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77741
22857,COc1cc2c(cc1OC)C1Cc3cccc(-c4c(OC)cccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7485765
22858,COc1cc2c(cc1OCc1ccc(CO)cc1)C1Cc3cccc(N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6034614
22859,COc1ccc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.80113095
22860,COc1ccc(-c2cc3c(cc2OC)CCN2Cc4c(C)cccc4CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7159469
22861,COc1ccc(COC(=O)c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5678987
22862,COc1ccc(OCCCNC(C)=O)cc1CCC(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.09881885
22863,COc1ccc(OCCF)cc1N1CCC(C(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.262043
22864,COc1ccc(OCCN2CCC(Oc3ccc4c(c3)NC(=O)CCC4)CC2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.62933475
22865,COc1ccc(OCCN2CCC(c3ccc(OC4CCCC4)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.58543295
22866,COc1ccc(OCCN2CCCN(c3ccccc3OC)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.7381153
22867,COc1ccc(OCCNC(C)c2ccc(F)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.06691709
22868,COc1ccc(OCCNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.029356712
22869,COc1ccc(OCCSC)cc1OC1CCc2ccc(C(C)=O)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.2510794
22870,COc1ccc2[nH]cc(Cc3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)c2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7303503
22871,COc1ccc2cc(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)ncc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6901092
22872,COc1cccc(CN2CCN(CCCN3CS(=O)(=O)N(c4ccccc4)C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5259061
22873,COc1cccc2c1CN1CCc3cc(-c4ccn(C)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7203093
22874,COc1ccccc1N1CCN(CCN2CCC(Cc3ccc4nccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7814566
22875,CSOc1ccc(OCCN2CCC(C(=O)N3C(=O)CCc4ccccc43)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.40606442
22876,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)CC(=O)CC4)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.59496266
22877,Cc1ccc(O)nc1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69190145
22878,Cc1cccc(C(=O)Nc2cccc(CN3CCN(CCCCl)CC3)c2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.29789987
22879,Cc1ccccc1N1CCN(CCN2CCC(C(=O)NCc3ccncc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5945844
22880,O=C(Cc1cccc(CN2CCN(CCCF)CC2)c1)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63385427
22881,O=C1c2ccccc2C(=O)N1c1cccc(CN2CCN(CCCO)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6274427
22882,O=S(=O)(CCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53881437
22883,O=S(=O)(NCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)c1ccc(F)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39806354
22884,O=[N+]([O-])c1ccccc1N1CCN(CCN2CCC(c3ccccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.60310644
22885,Oc1cc2c(cc1CNc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5105001
22886,Oc1cc2c(cc1Nc1c(Cl)cccc1Cl)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5935489
22887,Oc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(Br)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76691604
22888,CC(=O)Cc1ccc2c(c1)NC(=O)CC2COc1ccc(OCCNS(C)(=O)=O)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.077964015
22889,CCCOc1ccc(OCOCC)c(CN2CCC(c3cccc(OC)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7247183
22890,CCCOc1ccc(OF)c(CN2CCCN(c3cccc(C(F)(F)F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6428881
22891,CCCOc1ccc(ON)c(N2CCN(c3cccc(F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37422392
22892,CCCOc1ccc(ON2CCN(c3ccccc3OC)CC2)c(C(=O)OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18948658
22893,CCCOc1ccc(ONCCc2ccc(F)cc2)c(NC=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0836365
22894,CCCOc1ccc(ONCCc2ccccc2)c(C=NO)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08256558
22895,CCCOc1ccc(OOC)c(Cc2cccs2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13039091
22896,CCN(Cc1ccccc1)c1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7305309
22897,CCOc1cc(OCCN2CCC(c3ccc(F)cc3)CC2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.79082644
22898,CCOc1ccc(C)cc1S(=O)(=O)NOc1ccc(OCCF)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.050563373
22899,CNC(=O)Oc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4163238
22900,COC(=O)c1cccc2c1CN1CCc3cc(-c4ccc(C#N)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48133427
22901,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3cccs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.44162646
22902,COCCCN1CCN(Cc2cccc(-c3cccc4oc(=O)ccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.50215805
22903,COCCOc1ccc(OC)c(N2CCN(c3ccccn3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34263557
22904,COCCOc1ccc(ON2CCN(c3cccc(Cl)c3Cl)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3986911
22905,COCCOc1ccc(ON2CCN(c3ccccc3OCCF)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34948194
22906,CON1CCN(CCNC(=O)c2ccc(OC(C)=O)c(-c3cccc(Cl)c3Cl)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29197666
22907,CON=C(CCCN1CCN(Cc2cccc(F)c2)CC1)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59667194
22908,COOc1ccc(OCCNC(=O)CCc2ccc3c(c2)CCCC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.052707925
22909,COOc1ccc(OCCNC(=O)CCc2ccc3ccccc3c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.028192658
22910,COc1cc2c(cc1-c1ccccc1)C1Cc3cccc(C(C)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49233824
22911,COc1cc2c(cc1C)CCN1Cc3c(cccc3OCc3ccc(CO)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.596064
22912,COc1cc2c(cc1Cc1ccc(N(C)C)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7730461
22913,COc1cc2c(cc1O)C1Cc3cccc(C[O-])c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7759563
22914,COc1cc2c(cc1O)CCN1Cc3c(Cc4cccc(C)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6749705
22915,COc1cc2c(cc1OCc1ccc(CO)cc1)C1Cc3cccc(-c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54537225
22916,COc1ccc(OCCC(N)=O)cc1N1CCCC(Cc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.22036706
22917,COc1ccc(OCCN=S(C)(=O)O)cc1N1CC(Cc2ccc(F)cc2)CS1(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10609826
22918,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(Oc2ccc3c(c2)NC(=O)CCS3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3070754
22919,COc1ccc(OCCS(C)(=O)=O)cc1CC(C)COc1ccc2c(c1)CCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.19732751
22920,COc1ccc2[nH]cc(Cc3cccc4c3CN3CCc5cc(OC)c(OC)cc5C3C4)c2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72093624
22921,COc1ccc2c(c1)C(=O)N(C1CCN(CCN3CCN(c4ccccc4C)CC3)CC1)CC2,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69907695
22922,COc1cccc(C(=O)c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c1OC,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7577138
22923,COc1cccc(CN2CCN(CCCc3cc4cccc(OC)c4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66324323
22924,COc1cccc(Cc2cc3c(cc2OC)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68051356
22925,COc1ccccc1-c1cc(C(=O)NCCN2CCN(C(F)(F)F)CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30670232
22926,COc1ccccc1-c1cc(C(=O)NCCN2CCN(SC)CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35227948
22927,COc1ccccc1CN1CCN(CCCOc2ccc(OC)c(SC)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6573712
22928,Cc1cc(OCCC(O)COc2ccccc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.037611287
22929,Cc1cc(OCCCCCc2ccc3c(c2)NC(=O)CC3)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.20176995
22930,Cc1cc(OCCCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.71503186
22931,Cc1cc(OCCN2CCC(Oc3ccc(F)cc3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.61902493
22932,Cc1cc(OCCN2CCCC(Cc3ccc(OC4CCC(=O)NC4)cc3)C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.37911052
22933,Cc1cc(OCCNCc2ccccc2)ccc1OS(=O)(=O)[O-],[*]CCOc1ccc(O[*])c([*])c1,0.22918952
22934,Cc1cc(OCCOS(C)(=O)=O)ccc1ONCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.085768916
22935,Cc1cc(OCCSO)ccc1ON1CCC(c2ccccc2C=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20773903
22936,Cc1cccc(CN2CCN(CCCC3CCC(NC(=O)C4CCCCC4)CC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46410242
22937,Cc1cnn(C2CCN(CCN3CCN(c4ccccc4OC(C)C)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83941656
22938,FC(F)(F)CCCN1CCN(Cc2cccc(-c3nc4ccccc4s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5791241
22939,O=C1NCCCN1c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48296267
22940,Oc1cccc2c1CN1CCc3cc(Oc4ccccc4)c(Br)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78662646
22941,C=S(=O)(O)Oc1ccc(OCCC)cc1N1CCC(Cc2cc3c(cc2OC)CC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31769305
22942,CC(=O)NOc1ccc(OCCNC(=O)c2cc3c(s2)CCC(=O)N3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.046858355
22943,CC(=O)c1cccc(CN2CCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3034137
22944,CCCOc1ccc(ON2CCN(C(C)c3ccc(F)cc3)CC2)c(COC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27870044
22945,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(Oc3ccc(OC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20596987
22946,CCCOc1ccc(OS(C)(=O)=O)c(-c2cccc(CCCN)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11252956
22947,CCCOc1ccccc1N1CCN(Oc2ccc(OCCC(=O)NC)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1855345
22948,CCc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5486642
22949,CCc1cc2c(cc1Oc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6978454
22950,CCc1ccc(S(=O)(=O)NCCOc2ccc(OC)c(N=S(C)(=O)O)c2)s1,[*]CCOc1ccc(O[*])c([*])c1,0.05619969
22951,COC1CCN(CCN2CCN(c3ccccc3S(=O)(=O)Oc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7480031
22952,COCCCN1CCN(Cc2cccc(C3NCCc4cc(OC)ccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6603942
22953,COOc1ccc(OCCC(O)Cc2ccc3c(c2)CCCC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.18144923
22954,COOc1ccc(OCCN2CCN(Cc3cccc4ccccc34)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.50999165
22955,COOc1ccc(OCCNCc2cc3ccccc3o2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.17826241
22956,COc1cc2c(cc1-c1ccc3ccccc3c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7435374
22957,COc1cc2c(cc1C(=O)OCc1ccc(C#N)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4319879
22958,COc1cc2c(cc1C1CC1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76541924
22959,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(NC(C)=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.33787712
22960,COc1cc2c(cc1O)CCN1Cc3c(Cc4cc(C)ccc4OC)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6855699
22961,COc1cc2c(cc1OC)C1Cc3cccc(OC4CCC(NC(C)(C)C)CC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7021685
22962,COc1ccc(OCCC=Cc2ccc(OC3CCNCC3)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2168573
22963,COc1ccc(OCCCCNC(=O)c2cccc(SC)c2)cc1Br,[*]CCOc1ccc(O[*])c([*])c1,0.055954967
22964,COc1ccc(OCCN2CCC(Cc3ccc4oc(=O)ccc4c3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.57131934
22965,COc1ccc(OCCN=S(C)(=O)O)cc1C(O)CCc1ccc2c(c1)CCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.1390422
22966,COc1ccc(OCCS(N)(=O)=O)cc1N1CCCC(OCc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.24291623
22967,COc1ccc(OCCS(N)(=O)=O)cc1N1CCCS1(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.23979957
22968,COc1ccc(OCCS(N)(=O)=O)cc1NCCCC1CCCCc2ccccc2O1,[*]CCOc1ccc(O[*])c([*])c1,0.22361983
22969,COc1ccc2cc(C(=O)NCc3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)ccc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6782296
22970,COc1ccc2ccc(OC3CCN(c4cc(OCCS(C)(=O)=O)ccc4OC)CC3)cc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.27504376
22971,COc1cccc(CN2CCN(CCCC3Nc4ccccc4C(=O)N3c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5220396
22972,COc1cccc2c1CC(CNCOc1ccc(OCCF)cc1C)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.42776218
22973,COc1ccccc1CCCCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66307807
22974,COc1ccccc1N1CCN(CCN2CCC(c3cccc(C#Cc4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8824433
22975,Cc1cc(CCCCN2CCN(Cc3cccc(F)c3)CC2)oc(=O)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64955145
22976,Cc1cc(OCCCCSc2ccccc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07773124
22977,Cc1cc(OCCCN2CCCC(Cc3ccccc3)C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.41118306
22978,Cc1cc(OCCN2CCCC(Oc3ccc(CC4CCCCC4)cc3)C2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.39798057
22979,Cc1cc(OCCN2CCN(C)CC2)ccc1ONC(=O)c1ccc(C=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.19235127
22980,Cc1cc(OCCN2CCN(Cc3cccc(OC(C)C)c3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.35374945
22981,Cc1cc(OCCN=S(C)(=O)O)ccc1ONCCOc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.17154594
22982,Cc1cc(OCCNC(=O)COc2ccc3c(c2)NC(=O)CC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.046407606
22983,Cc1ccc(-c2cc(C(=O)NCCN3CCN(Cl)CC3)ccc2C)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.15158504
22984,Cc1cccc(-c2cc(C(=O)NCCN3CCN(Cl)CC3)ccc2C)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26271057
22985,Nc1cc(F)cc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7308962
22986,O=C1CCc2ccccc2N1CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.77653986
22987,O=[N+]([O-])C1CCN(CCN2CCN(c3ccccc3-n3cc(-c4ccccc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5583467
22988,OCc1cccc(Cc2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7665196
22989,Oc1cccc2c1CN1CCc3cc(C=NCc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65866554
22990,C=S(O)(O)=NOc1ccc(OCCNCc2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.14039737
22991,CC(=O)c1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccc4)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6854074
22992,CCCCNc1cc(OCCC)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06437655
22993,CCCOc1ccc(OC(=O)NS(C)(=O)=O)c(CCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.039835233
22994,CCCOc1ccc(OCN2CCC(C(=O)c3ccc(F)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.43618068
22995,CCCOc1ccc(OCN2CCC(C(=O)c3ccc(F)cc3)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4489054
22996,CCCOc1ccc(ON)c(CC(=O)Nc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.005895041
22997,CCCOc1ccc(ONC(C)=O)c(NCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.040210083
22998,CCCOc1ccc(OS(C)(=O)=O)c(S(=O)(=O)Nc2ccc(C3CCCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13563558
22999,CCCc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7471258
23000,CNC(=O)c1cccc(C2CCN(CCCOc3ccc(OC)c(S(C)(=O)=O)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6275566
23001,COCC1CCCN1c1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66973865
23002,COCCCN1CCN(Cc2cccc(C(=O)C3CCCCC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4627051
23003,COCCOc1ccc(OC)c(CN2CCN(c3cc(F)ccc3F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.69979304
23004,COCCOc1ccc(ONCC2CCc3ccccc3C2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3590117
23005,CON1CCN(CCNC(=O)c2ccc(O)c(-c3ccccc3Cl)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.41366276
23006,COc1cc2c(cc1C(=O)Nc1cccc(C)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32263952
23007,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc([N+](=O)OC)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63519907
23008,COc1cc2c(cc1O)CCN1Cc3c(CNCc4cccc5ccccc45)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.648192
23009,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc([N+](=O)O)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69378483
23010,COc1cc2c(cc1O)CCN1Cc3c(cccc3C[N+](=O)c3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5144596
23011,COc1cc2c(cc1O)CCN1Cc3c(cccc3NOCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49629554
23012,COc1cc2c(cc1OC)C1Cc3cccc(CC=Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75561094
23013,COc1cc2c(cc1OC)C1Cc3cccc(OC(C)(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8213243
23014,COc1cc2c(cc1Oc1cccc(C)c1)CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67770594
23015,COc1ccc(C2CCN(CCOc3ccc(OSC)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.63141716
23016,COc1ccc(CCCN2CCN(Cc3cccc(N4C(=O)c5ccccc5C4=O)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5570127
23017,COc1ccc(OCCC(N)=O)cc1N1CCCC(CCc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.23276281
23018,COc1ccc(OCCC(N)=O)cc1N1CCN(c2ccccc2OCCF)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2852365
23019,COc1ccc(OCCCCCc2ccc3c(c2)NC(=O)CCC3)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.26274928
23020,COc1ccc(OCCN2CCC(C(C)c3ccccc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.7138948
23021,COc1ccc(OCCN2CCC(c3ccc(OC4CCCCC4)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5837921
23022,COc1ccc(OCCN2CCCCC2)cc1S(=O)(=O)N(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.2913985
23023,COc1ccc(OCCNC2CCN(Cc3ccc(F)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3282633
23024,COc1ccc(OCCS(C)(=O)=O)cc1CCCc1ccc2c(c1)CCC(=O)N2,[*]CCOc1ccc(O[*])c([*])c1,0.19079207
23025,COc1ccc2cc(C(=O)Nc3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)ccc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.40875962
23026,COc1cccc(CN2CCN(CCCCNC(=O)C3(C)CCCC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46145666
23027,COc1cccc(CN2CCN(CCCc3cccc4[nH]ccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6372699
23028,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(C=O)CC2)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33342865
23029,COc1ccccc1CCCN1CCN(Cc2cccc(OCCF)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6178711
23030,CSOc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCS4)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.548355
23031,CSOc1ccc(OCCNC(=O)CCc2ccc3c(c2)CC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.059101626
23032,CSc1ccc(CC2CCN(Oc3ccc(OCCOS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.17344223
23033,Cc1cc(OCCCCSc2ccc(F)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.07242114
23034,Cc1cc(OCCN2CCN(Cc3ccc(F)cc3F)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.34914884
23035,Cc1cc(OCCN2Cc3ccccc3CC(C)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.35864553
23036,Clc1ccccc1N1CCN(CCN2CCC(c3ccncc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8743685
23037,FCCCN1CCN(Cc2cccc(Nc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5778639
23038,Fc1ccc(-c2ccc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)cc2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7664142
23039,Fc1ccc(-c2cn(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)nn2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75657016
23040,N#Cc1cc2c(cc1Cl)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72835857
23041,O=C(Nc1ccc(Cl)cc1Cl)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.37903616
23042,O=C1COc2cc(Cc3cccc(CN4CCN(CCCF)CC4)c3)ccc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64476
23043,Oc1ccc2ccc(C3CCN(CCN4CCN(c5ccccc5Cl)CC4)CC3)cc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8242592
23044,C=Cc1ccc(Cc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7177413
23045,C=S(O)(O)=CCc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70261574
23046,CC(=O)NCCOc1ccc(ONC(=O)Cc2ccc3c(c2)NC(=O)CC3)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05011639
23047,CC(=O)Oc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1ccccc1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3295763
23048,CC(C)C1CCN(CCN2CCN(c3ccccc3-c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84626555
23049,CC(C)c1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5801999
23050,CC1=Cc2cc(S(=O)(=O)NOc3ccc(OCCF)cc3C)ccc2N(CC(F)(F)F)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.14132826
23051,CC1CCN(CCN2CCN(c3ccccc3Oc3ccc4nc(O)[nH]c4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71140194
23052,CCCC(=O)Oc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5450448
23053,CCCCN1CCN(Cc2cccc(CNC(=O)c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.42256206
23054,CCCCc1ccc(N2CCN(CCOc3ccc(OOC)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.6275169
23055,CCCOc1ccc(OC(C)=O)c(NCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03677552
23056,CCCOc1ccc(OCN2CCCN(c3ccccc3OC)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7497501
23057,CCCOc1ccc(OCN2CCN(c3ccccc3OCC)CC2)c(C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.66783506
23058,CCCOc1ccc(OCS(N)(=O)=O)c(NCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07443901
23059,CCCOc1ccc(ON2CCN(c3ccc(F)cc3)CC2)c(C(N)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16180284
23060,CCCc1ccc(C(=O)NCCOc2ccc(ONS(C)(=O)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.024479022
23061,CCOc1ccccc1N1CCN(CCN2CCC(c3cc4ccccc4nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76730233
23062,CN1CCN(CCNC(=O)c2ccc(N)c(-c3cccc(C#N)c3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2927929
23063,CNc1ccccc1OCCc1cc(OCCOC)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.09514807
23064,COC1CCN(CCN2CCN(c3ccccc3-c3ccc4ccc(C(N)=O)cc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7218904
23065,COCCOc1ccc(OC)c(CCCn2ccc(C(F)(F)F)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12879868
23066,COCCOc1ccc(ONCC2Cc3ccccc3C2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.251068
23067,COc1cc2c(cc1C)CCN1Cc3c(Cc4ccccc4C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7259142
23068,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(OCc5ccncc5)c(C)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5362731
23069,COc1ccc(OCCC(C)=O)cc1N1CCN(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2007711
23070,COc1ccc(OCCC(N)=O)cc1N1CCC(C(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24757275
23071,COc1ccc(OCCN2CCC(NC(=O)c3cccc(C(C)C)c3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.412518
23072,COc1ccc(OCCN2CCC(c3ccccc3OC)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.7092483
23073,COc1ccc(OCCNS(C)(=O)=O)cc1N1C(=O)CCc2cc(CC3CCC3)ccc21,[*]CCOc1ccc(O[*])c([*])c1,0.2077762
23074,COc1ccc(OCCc2ccccc2SCC(F)(F)F)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10478782
23075,COc1cccc(CN2CCN(CCCC(=O)Nc3ccccc3OC)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.19456115
23076,COc1cccc(CN2CCN(CCCCn3c(=O)sc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6193932
23077,COc1ccccc1N1CCN(CCCOc2ccc(OOS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.849165
23078,COc1ccccc1N1CCN(CCN2CCC(COc3ccc4nc(O)ccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75492877
23079,COc1ccccc1N1CCN(CCN2CCC(N(C)c3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8466344
23080,COc1ccccc1N1CCN(CCN2CCC(Nc3ccccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.58715945
23081,COc1ccccc1N1CCN(CCN2CCC(c3ccc([O-])nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.853097
23082,COc1cnc2ccc(Oc3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)cc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7563544
23083,Cc1cc(OCCCCCCc2ccc3c(c2)NC(=O)CC3)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.19678114
23084,Cc1cc(OCCCCCc2ccccc2)ccc1ON=S(=O)(O)O,[*]CCOc1ccc(O[*])c([*])c1,0.06706327
23085,Cc1cc(OCCF)ccc1OCN1CCC(Oc2ccc(C(N)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29348898
23086,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC(=O)N4)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.49388862
23087,Cc1cc(OCCN2CCC(c3ccc(F)cc3)CC2)ccc1O[SH]=O,[*]CCOc1ccc(O[*])c([*])c1,0.65071476
23088,Cc1cc(OCCNC(=O)COc2ccccc2C(C)C)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.018075814
23089,Cc1cc(OCCNCc2ccccc2)ccc1OOC1CCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.27539673
23090,Cc1cc(OCCOS(C)(=O)=O)ccc1ONC(=O)Cc1ccc2c(c1)CC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.04908375
23091,ClC1CCN(CCN2CCN(c3ccccc3Oc3ccc(Br)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83332986
23092,FC(F)(F)CCCN1CCN(Cc2cccc(Nc3cc(-c4ccccc4)cs3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4837275
23093,FC(F)(F)Oc1ccccc1N1CCN(CCN2CCC(Nc3cccnn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7822422
23094,O=[N+]([O-])C1CCN(CCN2CCN(c3ccccc3-n3c(O)nc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6141488
23095,Oc1cc2c(cc1C1CC1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65761924
23096,C=CCOc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75924945
23097,C=S(=O)(O)Oc1ccc(OCCC)cc1NCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.05988841
23098,CCCCN1CCN(Cc2cccc(-c3cccs3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5599738
23099,CCCON=Cc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.670905
23100,CCCOc1ccc(OO)c(N2CCC(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29983854
23101,CCCOc1ccc(OOC2CCN(Cc3ccccc3OC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.562815
23102,CCCOc1ccc(OS(C)(=O)=O)c(-c2ccc(CCC)c(OC3CCCNC3)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1949574
23103,CCOc1ccccc1N1CCN(CCN2CCC(n3ccc(-c4ccc(F)cc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82835543
23104,CC[SH](=O)(O)Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47953668
23105,CCc1ccc(OCC(=O)NCCOc2ccc(ONS(C)(=O)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.016112454
23106,CN1c2ccccc2CC(c2cccc(CN3CCN(CCCCl)CC3)c2)S1(=O)=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7204992
23107,COC1CCN(CCN2CCN(c3ccccc3-c3cc(Cl)ccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78834414
23108,COC1CCN(CCN2CCN(c3ccccc3-c3cc4cccnc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70168185
23109,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(O)c(O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82802546
23110,COCCOc1ccc(Oc2ccc(OC)c(C(C)C)n2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07450862
23111,CONCCCOc1ccc(OCN2CCN(c3ccccc3OC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.68838847
23112,COOc1ccc(OCCNCc2ccc(OC)c(OC)c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.117878705
23113,CO[N+](=O)c1cc2c(cc1OCc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6513716
23114,COc1cc(C(=O)NCCN2CCN(C)CC2)ccc1-c1cccc([N+](=O)[O-])c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.17805438
23115,COc1cc2c(cc1O)CCN1Cc3c(cccc3O[N+](C)=O)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.748412
23116,COc1ccc(Br)cc1-c1cc(O)nc(-c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75238204
23117,COc1ccc(C(=O)NCCN2CCN(c3ccccc3)CC2)cc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.7792528
23118,COc1ccc(C)cc1S(=O)(=O)NCCOc1ccc(OOC2CCNCC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11502843
23119,COc1ccc(OCCC(C)=O)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7163752
23120,COc1ccc(OCCCS(N)(=O)=O)cc1N1C(=O)CCc2ccc(OCC3CCC3)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.24761303
23121,COc1ccc(OCCN2CC=C(c3ccc(F)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.45177838
23122,COc1ccc(OCCN2CCC(Oc3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6962072
23123,COc1ccc(OCCN2CCN(c3ccccc3C(F)(F)F)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.8287819
23124,COc1ccc(OCCN=S(C)(=O)O)cc1CCCc1ccc2c(c1)CC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.2110757
23125,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(COc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3555222
23126,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCC(Cc2ccc(OC3CNC(=O)C3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.11560384
23127,COc1ccc(OCCNCc2ccc(Cl)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.15940277
23128,COc1ccc(OCCS(=O)(=O)Cc2ccc(C(C)C)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.046065573
23129,COc1ccc(OCCS(N)(=O)=O)cc1N1CCC(CCc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.37169093
23130,COc1cccc2c1CN1CCc3cc(C)c(C(=O)N(C)Cc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41683167
23131,COc1cccc2c1CN1CCc3cc(CNC(C)=O)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46904695
23132,COc1cccc2c1CN1CCc3cc(OC(=O)Nc4cccc(C#N)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36302236
23133,COc1ccccc1-c1cc(C(=O)NCCN2CCN(F)CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3657942
23134,CS(=O)(O)=Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6343993
23135,Cc1cc(OCCCCSc2ccc(C(F)(F)F)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06489675
23136,Cc1cc(OCCNCc2ccc(OS(C)(=O)=O)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1513495
23137,Cc1cc(OCCOC2CCN(Cc3ccc(F)cc3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.5713536
23138,Cc1ccccc1N1CCN(CCN2CCC(c3cnccc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6940548
23139,Cc1ccccc1N1CCN(CCN2CCC(n3cc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7019698
23140,ClC1CCN(CCN2CCN(c3ccccc3Oc3cnc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8108556
23141,Fc1ccc(OC2CCN(CCN3CCN(c4ccccc4F)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68727255
23142,Fc1cccc(CN2CCN(CCCc3cc(C=Cc4ccccc4)no3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68528795
23143,O=C(NCCN1CCN(O)CC1)c1ccc([N+](=O)[O-])c(-c2ccccc2)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3507435
23144,Oc1ccc2ccc(-c3cccc(CN4CCN(CCCF)CC4)c3)cc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6710164
23145,Oc1ccc2ccc(C3CCN(CCN4CCN(c5ccccc5C(F)(F)F)CC4)CC3)cc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77896684
23146,Oc1cccc2c1CN1CCc3cc(OCc4ccncc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66449386
23147,Oc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccccn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7266563
23148,CC(=O)C1Cc2ccccc2N1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69931054
23149,CC(=O)NOc1ccc(OCCN2CCN(c3cccc(OCC(F)(F)F)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.602039
23150,CC1CCN(CCN2CCN(c3ccccc3-c3cccc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74533117
23151,CC1CCN(CCN2CCN(c3ccccc3-n3ccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7487201
23152,CCCNC1CCC(c2cc(OCCC)ccc2OS(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23582847
23153,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(c3ccc(OCC(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31789473
23154,CCCOc1ccc(OOC)c(N2CCN(C(=O)c3cccs3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09518689
23155,CCCOc1ccc(OS(C)(=O)=O)c(NCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.066558845
23156,CCCOc1ccc(OS(N)(=O)=O)c(NCCc2c(OCC)ccc3c2CCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18949273
23157,CCCOc1ccc(On2cccc2)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.79454005
23158,CCOC(=O)c1ccccc1N1CCN(CCN2CCC(C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.51528984
23159,CCOC1CCN(CCN2CCN(c3ccccc3NC(=O)c3cc4ccccc4nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4337223
23160,COC1CCN(CCN2CCN(c3ccccc3-c3cc(C(F)(F)F)cc4ccc(O)cc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74817216
23161,COC1CCN(CCN2CCN(c3ccccc3-c3cc4ccccc4c(O)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75192726
23162,COC1CCN(CCN2CCN(c3ccccc3C(=O)OCc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65633607
23163,COC1CCN(CCN2CCN(c3ccccc3N3C(=O)CCc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76469857
23164,COCCCN1CCN(Cc2cccc(-c3ccc4c(c3)Cc3cc(C(N)=O)ccc3-4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.45773575
23165,COCCCN1CCN(Cc2cccc(Sc3ccc4c(c3)NC(=O)CC4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66448015
23166,COc1cc(C(=O)NCCN2CCN(Cl)CC2)ccc1-c1ccc(O)o1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.18323748
23167,COc1cc2c(cc1CCc1ccc(C#N)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8236727
23168,COc1cc2c(cc1O)C1Cc3cccc(Cc4cccc(O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77906114
23169,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)NOCc4ccc(C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40051016
23170,COc1cc2c(cc1OC)C1Cc3cccc(NCCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46279353
23171,COc1ccc(C(=O)C2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77989095
23172,COc1ccc(C(=O)NOc2ccc(OCCF)cc2C)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.030586392
23173,COc1ccc(CCOc2ccc(OC)c(N3CCN(C)CC3)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.50274384
23174,COc1ccc(OCCC(N)=O)cc1Cc1ccc(Cl)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.026890535
23175,COc1ccc(OCCC2CCN(C(CCC(N)=O)c3ccc4c(c3)CCC4=O)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.15943179
23176,COc1ccc(OCCCNC(=O)C=Cc2ccccc2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.07848886
23177,COc1ccc(OCCCNS(=O)(=O)c2cccc(F)c2)cc1CC1CNCCO1,[*]CCOc1ccc(O[*])c([*])c1,0.20742065
23178,COc1ccc(OCCCc2cccc(F)c2)cc1CN1CCC(C(=O)O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.45896876
23179,COc1ccc(OCCN=S(C)(=O)O)cc1C(O)CCc1ccc2c(c1)CCC(=O)N2,[*]CCOc1ccc(O[*])c([*])c1,0.13440053
23180,COc1ccc(OCCN=S(C)(=O)O)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.61539006
23181,COc1ccc(OCCN=S(C)(=O)O)cc1NCc1ccccc1OC1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.116862275
23182,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.259079
23183,COc1ccc2c(COc3cccc4c3CN3CCc5cc(OC)c(OC)cc5C3C4)cccc2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7632162
23184,CSOc1ccc(OCCNS(=O)(=O)c2cccc(C(N)=O)c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.04212162
23185,Cc1cc(OCCN2CCC(Cc3ccc(OC4CCCC4)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.54755896
23186,Cc1cc(OCCN2CCC(OC(=O)Cc3ccc(F)cc3)CC2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.45551717
23187,Cc1cc(OCCNC(=O)Sc2ccc(F)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.025707524
23188,Cc1cc(OCCNC2CCC(Oc3ccc(F)cc3)C2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.23290834
23189,Cc1cc(OCCNCCc2ccccc2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.22145355
23190,Cc1cc(OCCNCc2ccccc2)ccc1ON1CCNC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.23907286
23191,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1C(=O)CCc2ccc(CCC3CCCCC3)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.19211912
23192,Cc1cc(OCCO)ccc1ON1CCC(Cc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.32788923
23193,Cc1cc(OCCOS(C)(=O)=O)ccc1ON1CCCC(CCc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.23986645
23194,Cc1cccc(CN2CCN(CCCC#N)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64551175
23195,Cc1ccccc1-c1cc(C(=O)NCCN2CCN([N+](=O)[O-])CC2)ccc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.24203596
23196,Cc1ccccc1N1CCN(CCN2CCC(N(C(=O)c3ccccc3)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65477395
23197,Fc1ccc(CCCN2CCN(Cc3cccc(-c4cc5ccccc5o4)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7575343
23198,O=C(c1cccc(CN2CCN(CCCOC(F)(F)F)CC2)c1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6334196
23199,O=c1ccc(F)cn1C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8082519
23200,Oc1cc2c(cc1Br)CCN1Cc3c(cccc3Oc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72354573
23201,CC(C)c1ccccc1N1CCN(CCN2CCC(Oc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74064344
23202,CCC(C)c1ccccc1N1CCN(c2cc(OCCOC)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.34536156
23203,CCCOc1ccc(OCOc2cccc(F)c2)c(NC(=O)OCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.061623424
23204,CCCOc1ccc(ON2CCN(c3ccccc3OC)CC2)c(-c2coc(CF)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30382958
23205,CCCOc1ccc(OOS(C)(=O)=O)c(CN2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.57283014
23206,CCCOc1ccc(OOS(C)(=O)=O)c(NCCC2CCc3ccc(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38234806
23207,CCCOc1ccc(OS(C)(=O)=O)c(C2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2240124
23208,CCCOc1ccc(OS(N)(=O)=O)c(NC(=O)Cc2ccc3c(c2)CC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.069438405
23209,CCOc1cc2c(cc1OC)C1Cc3cccc(-c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6573221
23210,CN(C)C(=O)NCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48419306
23211,COC(=O)C1CCCCN1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3622768
23212,COC(=O)C1CCN(C=Cc2cc(OCCNC(=O)c3cccs3)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.09057062
23213,COC(=O)CCOc1ccc(OC)c(-c2cc(F)ccc2CC(F)(F)F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.038997836
23214,COC(=O)Nc1ccc(C2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5624035
23215,COC(=O)c1cc(OCCN2CCCC(CCc3ccc(F)cc3)C2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.28886357
23216,COC1CCN(CCN2CCN(c3ccccc3-c3cc(O)ccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77626765
23217,COC1CCN(CCN2CCN(c3ccccc3-c3nncn3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7235484
23218,COCCCN1CCN(Cc2cccc(-c3ccc(C(C)(C)C)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5474618
23219,COCCCN1CCN(Cc2cccc(-c3oc(=O)cc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5336312
23220,COCCCN1CCN(Cc2cccc(CNC(=O)N3CCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4573004
23221,COCCOc1ccc(OC)c(-c2ccc(C(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08813148
23222,COCCOc1ccc(OC)c(CCNc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04398373
23223,COc1cc2c(cc1-c1cccc(C)c1)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6312382
23224,COc1cc2c(cc1-c1ccccc1)CCN1Cc3c(cccc3SC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69874275
23225,COc1cc2c(cc1CCN)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7898018
23226,COc1cc2c(cc1Cc1ccco1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7456988
23227,COc1cc2c(cc1OC)C1Cc3cccc(-c4cc5ccccc5cc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67397404
23228,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc5c(c4)CCCC(=O)N5)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.527158
23229,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccccc4CO)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62784547
23230,COc1ccc(C=CC(=O)NC2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8171003
23231,COc1ccc(OCCCN2CCC(c3ccccc3CCF)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6637372
23232,COc1ccc(OCCCS(=O)(=O)c2cc(C(C)C)ccc2F)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.054740794
23233,COc1ccc(OCCCS(=O)(=O)c2ccc(F)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.08536065
23234,COc1ccc(OCCN2CCCC(Cc3ccc(F)cc3)C2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.42166042
23235,COc1ccc(OCCN=C(C)O)cc1CN1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.576863
23236,COc1ccc(OCCNC(=O)CCc2ccccc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.045562465
23237,COc1ccc(OCCNC(C)=O)cc1N1CCC(Cc2ccc3c(c2)CNC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2788552
23238,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(CCc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.39752182
23239,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3532051
23240,COc1cccc(CN2CCN(CCCC(=O)N3CCCC3c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49011016
23241,COc1cccc(CN2CCN(CCCC3=CCc4ccccc4C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6098194
23242,COc1cccc2c1CN1CCc3cc(C)c(OCc4cccs4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7280234
23243,COc1ccccc1N1CCN(CCCOc2ccc(OOCCF)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8616137
23244,COc1ccccc1N1CCN(CCN2CCC(N(C)Cc3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.90464336
23245,COc1ccccc1N1CCN(CCN2CCC(Oc3ccc4ccc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8396921
23246,COc1ccccc1N1CCN(COc2ccc(OCCCCc3ccccc3F)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.64576155
23247,CSc1ccc(C(=O)NCCOc2ccc(ON3CCN(C)CC3)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.10068989
23248,Cc1cc(OCCN=S(C)(=O)O)ccc1OCCCc1ccc(OC2CCCCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.122728854
23249,Cc1cc(OCCNC(=O)CCc2ccc3c(c2)NC(=O)CC3)ccc1ON1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.089829355
23250,N#CC1CCN(CCN2CCN(c3ccccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8041091
23251,O=C(NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)c1ccncc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8326082
23252,O=C(Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2)Nc1c(Cl)cccc1Cl,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41387883
23253,O=C1Nc2ccccc2CC1CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5367393
23254,Oc1cccc2c1CN1CCc3cc(Cc4ccc[nH]4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7263214
23255,Oc1ccccc1N1CCN(CCN2CCC(n3cnc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7150291
23256,Oc1nc2cccc(F)c2n1C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82683873
23257,CC(C)(C)c1cc2c(cc1O)CCN1Cc3c(CCc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70711184
23258,CCCOc1ccc(ON)c(N2CCC(N(C(C)=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18792276
23259,CCCOc1ccc(ON)c(N2CCC(c3ccccc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30418268
23260,CCCOc1ccc(ONS(C)(=O)=O)c(NC(=O)COc2ccc(C(F)(F)F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0065165176
23261,CCCOc1ccc(OSC)c(NCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13362935
23262,CCN(C(C)=O)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5188742
23263,CCS(=O)(=O)Oc1ccc(OCCCc2ccc(S(C)(=O)=O)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.04575975
23264,COC1CCN(CCN2CCN(c3ccccc3Cc3nccc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6944057
23265,COCCCN1CCN(Cc2cccc(C3C(=O)Nc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5674032
23266,COCCCN1CCN(Cc2cccc(NC(=O)c3ccc4ccccc4c3OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.33646786
23267,COCCOc1ccc(OC)c(Nc2ccccc2OCC(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.100505024
23268,COCCOc1ccc(OCN2CCN(c3ccccc3C(C)C)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5753688
23269,CON=COc1ccc(OCCC=Cc2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.12103957
23270,COc1cc2c(cc1C(O)C1CC1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7440889
23271,COc1cc2c(cc1NC(=O)Nc1c(Cl)cccc1Cl)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35396644
23272,COc1cc2c(cc1O)C1Cc3cccc(CCN4CCCCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5898275
23273,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(OCc5ccccc5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6148368
23274,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)NC(C)c4ccc5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41630712
23275,COc1cc2c(cc1OC)C1Cc3cccc(OC(=O)NCc4cccc(C(F)(F)F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34198785
23276,COc1cc2c(cc1OC)C1Cc3cccc([N+](=O)C(C)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4999359
23277,COc1cc2c(cc1S(=O)(=O)NOc1ccc(OCCF)cc1C)CCC(N(C)C)C2,[*]CCOc1ccc(O[*])c([*])c1,0.30424255
23278,COc1ccc(C(=O)NCCN2CCN(c3cccc(C)c3)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.6168854
23279,COc1ccc(CCC(=O)Nc2cc(OCCN=S(C)(=O)O)ccc2OC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.010856575
23280,COc1ccc(OCCC(N)=O)cc1N1CCCC(Nc2ccccc2OCCF)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.10176938
23281,COc1ccc(OCCCCN)cc1N1CCC(C(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29584962
23282,COc1ccc(OCCCS(=O)(=O)Cc2ccccc2)cc1NC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.048597977
23283,COc1ccc(OCCN)cc1CCN1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.82583183
23284,COc1ccc(OCCNC(=O)Cc2cccc(F)c2)cc1C(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.02016473
23285,COc1ccc(OCCNS(C)(=O)=O)cc1C(=O)CCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.13792092
23286,COc1ccc(OCCNS(C)(=O)=O)cc1C(O)CCc1ccc2c(c1)NC(C)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.29681844
23287,COc1ccc(OCCNS(C)(=O)=O)cc1CSCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.10866897
23288,COc1ccc(OCCS(C)(=O)=O)cc1Oc1ccc(CC2CCCNC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.15681916
23289,COc1cccc(CN2CCN(CCCC3=C(Nc4ccccc4)CCCC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46254885
23290,COc1cccc(CN2CCN(CCCCNC(=O)c3ccc4ccccc4c3OC)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5837604
23291,CSOc1ccc(OCCN2CCN(c3ccc(Cl)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.7434302
23292,Cc1cc(OCCN2CCC(Oc3ccc(CC4CCCCC4)cc3)CC2)ccc1OBr,[*]CCOc1ccc(O[*])c([*])c1,0.49344587
23293,Cc1cc(OCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.77566826
23294,Cc1cc(OCCNC(=O)c2ccc(F)cc2)ccc1OOCC1CCCN1,[*]CCOc1ccc(O[*])c([*])c1,0.050608378
23295,Cc1cc(OCCNCCc2ccc(OC3CCCCC3)cc2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.14965008
23296,Cc1cc(OCCNS(=O)(=O)c2ccc(F)cc2)ccc1OCN(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.05498775
23297,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1c2cc(OC3CCCCC3)ccc2CCCC1C,[*]CCOc1ccc(O[*])c([*])c1,0.19935557
23298,Cc1cccc(CN2CCN(CCCC(=O)N3CCCCC3c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.42631537
23299,Cc1cccc2c1CN1CCc3cc(O)c(OS(C)(=O)=O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.579704
23300,Fc1ccn(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8057942
23301,O=C(Cc1ccccc1)Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4058508
23302,O=C(NCCN1CCN(Cl)CC1)c1ccc(Br)c(-c2ccccc2)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.38901854
23303,O=C(Nc1cccc(CN2CCN(CCCCl)CC2)c1)c1cc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3791743
23304,O=C(c1cccc(CN2CCN(CCCCl)CC2)c1)c1nc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.601069
23305,O=C(c1cccc(CN2CCN(CCCc3ccccc3)CC2)c1)c1cc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51221514
23306,O=C(c1cnc2ccccc2n1)c1ccccc1N1CCN(CCN2CCC(O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.61953884
23307,O=S1(=O)Cc2ccccc2CN1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7635278
23308,O=S1(=O)c2ccccc2CC1CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70117396
23309,Oc1ccc2cn(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)c(O)c2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6469039
23310,Oc1cccc2c1CN1CCc3cc(-c4ccns4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62886596
23311,CC(C)c1ccccc1N1CCN(CCN2CCC(Nc3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76877946
23312,CC1CCN(CCN2CCN(c3ccccc3-c3cc(-c4ccccc4)no3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7250156
23313,CCCOc1ccc(OC(=O)COc2ccccc2)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5325554
23314,CCCOc1ccc(OCNC(=O)c2ccccn2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.041743502
23315,CCCOc1ccc(OOC)c(N2CCC(Oc3ccccc3CC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32895413
23316,CCCOc1ccc(OOC)c(N2CCCC(c3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40470725
23317,CCOc1cccc2c1CCC(NCCOc1ccc(ON=S(C)(=O)O)c(C)c1)C2,[*]CCOc1ccc(O[*])c([*])c1,0.5142521
23318,CCOc1ccccc1N1CCN(CCCOc2ccc(ONC)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7943737
23319,CCc1ccc(OC2CCN(Oc3ccc(OCCS(N)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.20366648
23320,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccccc4)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82641435
23321,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4505587
23322,COCCCN1CCN(Cc2cccc(CNC(=O)c3cc4cccc(OC)c4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.39377344
23323,CON1CCN(CCNC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])c(S(C)(=O)=O)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30627623
23324,COOc1ccc(OCCN2CCC(c3ccccc3OC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6843165
23325,COc1cc2c(cc1OC)CC(CNCCOc1ccc(OS(N)(=O)=O)c(C)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.25433862
23326,COc1cc2c(cc1Oc1ccccc1)CCN1Cc3c(cccc3[N+](=O)c3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65946954
23327,COc1ccc(C2CCN(CCOc3ccc(OC)c(S(C)(=O)=O)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.5983704
23328,COc1ccc(OCCC(N)=O)cc1CCc1ccccc1N1CCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.13738461
23329,COc1ccc(OCCN)cc1CC(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.05414792
23330,COc1ccc(OCCN2CCC(Cc3ccco3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.43610018
23331,COc1ccc(OCCN2CCN(C3CCc4ccc(F)cc4C3)CC2)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.65231854
23332,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCC(Cc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29897478
23333,COc1ccc(OCCNCCc2ccc(F)cc2)cc1NS(=O)(=O)c1ccccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.19231531
23334,COc1ccc(OCCS(=O)(=O)Cc2ccc(F)cc2)cc1N1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.21387163
23335,COc1ccc(OCCS(C)(=O)=O)cc1CCNc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.050131597
23336,COc1ccc(OCCS(C)(=O)=O)cc1CCOc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.09129292
23337,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(COc2ccc3c(c2)NC(=O)CC3C)C1,[*]CCOc1ccc(O[*])c([*])c1,0.31146643
23338,COc1ccc(OCCS(C)(=O)=O)cc1Oc1ccc(CC(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07614852
23339,COc1cccc(CN2CCN(CCCCc3coc(S)n3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64414406
23340,COc1cccc(CN2CCN(CCCCc3nc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7333742
23341,COc1cccc(CN2CCN(CCCOc3ccc4oc(=O)ccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58662206
23342,COc1cccc(COCc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75420666
23343,COc1cccc(Cc2cccc3c2CN2CCc4cc(Cl)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5450253
23344,COc1ccccc1-c1cc(C(=O)NCCN2CCN(Cl)CC2)ccc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3896019
23345,COc1ccccc1CC1CCN(CCCOc2ccc(OS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.58712137
23346,COc1ccccc1N1CCN(CCN2CCC(C(=O)Nc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64896184
23347,CSc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7427347
23348,CSc1ccccc1N1CCN(CCN2CCC(C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74822944
23349,CSc1ccccc1N1CCN(CCN2CCC(c3cc(O)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8036733
23350,Cc1cc(OCCCF)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.058797233
23351,Cc1cc(OCCCS(N)(=O)=O)ccc1OCCOc1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.086235456
23352,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCC4)SC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.58345926
23353,Cc1cc(OCCN2CCC(c3ccc(OC4CCC4)c(CC(=O)O)c3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.50548
23354,Cc1cc(OCCN=S(C)(=O)O)ccc1ONC(=O)Cc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.06815753
23355,Cc1cc(OCCNC(=O)COc2ccc3c(c2)NC(=O)CC3)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.05097342
23356,Cc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39194578
23357,Cc1cccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2S(C)(=O)=O)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29498982
23358,Cc1cccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6315672
23359,ClC1CCN(CCN2CCN(c3ccccc3-c3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81301165
23360,O=C(c1cccc(CN2CCN(CCCCl)CC2)c1)c1ccc2ccccc2n1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63186663
23361,O=C1C(=O)N(CCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58685875
23362,O=C1c2ccccc2C(=O)N1C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80622655
23363,Oc1ccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)s1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7112179
23364,Oc1ccc(Br)c(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7629585
23365,Oc1ccc(C2CCN(CCN3CCN(c4ccccc4O)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7738734
23366,C#COc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.725832
23367,C#Cc1cc2c(cc1CO)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5945713
23368,CC(=O)c1ccc(CN2CCN(Oc3ccc(OCCF)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.33415565
23369,CC(C)c1ccccc1N1CCN(CCN2CCC(c3cccc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7250327
23370,CCC(=O)c1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5093469
23371,CCCCc1ccc(OC)cc1-c1cc(OCCC)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.032920398
23372,CCCOc1ccc(ON2CCN(C=O)CC2)c(-c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25165084
23373,CCCOc1ccc(ONS(C)(=O)=O)c(NCCc2ccc3c(c2)CCC(=O)N3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12013979
23374,CCCOc1ccc(OOC)c(-c2ccc(C(C)=O)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.028602703
23375,CCCOc1ccc(OS(C)(=O)=O)c(CCCc2cccc(CC)c2OC2CCCN2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19078922
23376,CCN=S(O)(O)=Cc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6180985
23377,CCOc1ccccc1NC(=O)NCCOc1ccc(OSC)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.006605934
23378,CNC(=O)CCOc1ccc(OC)c(NCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.017432464
23379,COC1CCN(CCN2CCN(c3ccccc3-c3cccc(-c4ccno4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8063332
23380,COOc1ccc(OCCNCCc2cccc(OC)c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.24964365
23381,COc1cc2c(cc1Cc1cccc([N+](=O)C(F)(F)F)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5764298
23382,COc1cc2c(cc1Cl)CCN1Cc3c(CNc4cccc(C)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46916038
23383,COc1cc2c(cc1O)C1Cc3cccc(C(=O)Nc4ccc(C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3298956
23384,COc1cc2c(cc1OC)C1Cc3cccc(Cc4c(O)ccc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6984213
23385,COc1ccc(CC2CCN(Cc3cc(OCCF)ccc3ONS(C)(=O)=O)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.3986412
23386,COc1ccc(OCCC(O)CCc2ccc3ccccc3c2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.07495389
23387,COc1ccc(OCCC=O)cc1CC(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.033286918
23388,COc1ccc(OCCCN2CCC(c3coc4cc(F)ccc34)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.7648631
23389,COc1ccc(OCCN2CCC(=O)Nc3cc(CC(F)(F)F)ccc32)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.28059447
23390,COc1ccc(OCCNCCc2cccc3c2NC(=O)CC3)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.21515863
23391,COc1ccc(OCCNS(=O)(=O)c2ccccc2C(C)C)cc1CC1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.12811762
23392,COc1ccc(OCCOC(=O)CCc2ccc(F)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.044897236
23393,COc1ccc(OCCS(C)(=O)=O)cc1NCCc1cc2ccccc2s1,[*]CCOc1ccc(O[*])c([*])c1,0.09778573
23394,COc1ccc(OCCS(C)(=O)=O)cc1OC1CCC(Nc2ccc(C(C)C)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.09045847
23395,COc1cccc(CN2CCN(CCCCCC(=O)NC3CCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49231327
23396,COc1cccc(CN2CCN(CCCN3Cc4ccccc4C3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7722757
23397,COc1cccc(N2CCN(Oc3ccc(OCCF)cc3C)CC2)c1OC,[*]CCOc1ccc(O[*])c([*])c1,0.37457588
23398,COc1cccc2c1CN1CCc3cc(C(=O)Nc4ccccc4Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34876412
23399,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(OC)CC2)cc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3630094
23400,COc1ccccc1C1CCN(CCCOc2ccc(OO)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6804007
23401,COc1ccccc1C1CCN(Oc2ccc(OCCSC)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.37405393
23402,COc1ccccc1N1CCN(CCN2CCC(NC(=O)Nc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6787125
23403,CS(=O)(=O)Nc1cccc(CCCN2CCN(Cc3cccc(Cl)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.44411853
23404,CSCN1CCN(Oc2ccc(OCCNC(=O)Cc3ccccc3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.07044424
23405,CSOc1ccc(OCCN2CCC(NC(=O)c3cccs3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.52809703
23406,Cc1cc(OCCC(=O)COc2ccc3c(c2)NC(=O)CC3)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13310081
23407,Cc1cc(OCCCF)ccc1OCN1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.5384567
23408,Cc1cc(OCCN2CCCC(c3ccccc3)C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.39849445
23409,Cc1cc(OCCN2CCOC(CCc3ccc(F)cc3)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.36253813
23410,Cc1cccc(NC(=O)c2cc3c(cc2C)CCN2Cc4c(O)cccc4CC32)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.27743015
23411,FCCCN1CCN(Cc2cccc(C3CC3c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7560695
23412,N#Cc1ccccc1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8384489
23413,O=C(O)C1(c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)CCCCC1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54047346
23414,O=C(c1ccc(F)cc1)c1ccccc1N1CCN(CCN2CCC(O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6690553
23415,Oc1ccc2cc(Oc3ccccc3N3CCN(CCN4CCC(F)CC4)CC3)ccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75020325
23416,Oc1cccc2c1CN1CCc3cc(CNCc4ccc(F)cc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6235597
23417,Oc1nccc(C2CCN(CCN3CCN(c4ccccc4CC(F)(F)F)CC3)CC2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7072371
23418,CC(=O)NC1(CCCN2CCN(Cc3cccc(Cl)c3)CC2)CCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.40984634
23419,CC(=O)c1ccc(C(=O)NCCOc2ccc(ON=S(C)(=O)O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.024989055
23420,CCCOc1ccc(OC(=O)OC)c(N2CCN(Cc3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31107715
23421,CCCOc1ccc(OCCN2CCC(c3ccccc3)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.68686354
23422,CCCOc1ccc(OCN2CCN(C3C=CC=C(C)CC3)C2=O)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26299226
23423,CCCOc1ccc(ON2CCC(c3ccccc3OC)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.48025072
23424,CCCOc1ccc(ONCCc2ccc(F)cc2)c([N+](=O)[O-])c1,[*]CCOc1ccc(O[*])c([*])c1,0.049582966
23425,CCCOc1ccc(OS(C)(=O)=O)c(NCc2ccccn2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06202584
23426,CCCc1cccc(-c2cc3c(cc2OC)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77459174
23427,CCOC(=O)C1CCN(CCN2CCN(c3ccccc3-n3c(O)cc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.46075448
23428,CCOC(=O)c1cc(OCCN2CCC(Cc3ccc(F)cc3)CC2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.40842202
23429,CCOc1cccc2c1CN1CCc3cc(Cl)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.723149
23430,CCOc1ccccc1NCCCOc1ccc(ON)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.070643365
23431,CCc1cc2c(cc1OC)C1Cc3cccc(COC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7423489
23432,CCc1cc2c(cc1OCc1ccc3ccccc3c1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64147496
23433,CCc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8204731
23434,COC(=O)CCOc1ccc(OC)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03323504
23435,COC(=O)CCOc1ccc(OC)c(N2CCCC(CCc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17362145
23436,COC1CCN(CCN2CCN(c3ccccc3-n3cc(-c4ccc(Br)cc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7448936
23437,COCCCN1CCN(Cc2cccc(CN3CCC3c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6047308
23438,COCCCN1CCN(Cc2cccc(Cc3cnc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53930116
23439,COCCOc1ccc(OC)c(CNCC2CCc3ccc(C(N)=O)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26093784
23440,COc1cc(C(=O)NCCN2CCN(c3ccccc3[N+](=O)[O-])CC2)ccc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.6615264
23441,COc1ccc(OCCC(N)=O)cc1CCN1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.63224256
23442,COc1ccc(OCCCF)cc1N1CCC(C(=O)Sc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20016879
23443,COc1ccc(OCCCSC2C(=O)CCc3ccc(CC(F)(F)F)cc32)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.281095
23444,COc1ccc(OCCF)cc1CC1CC(NC(C)=O)CCO1,[*]CCOc1ccc(O[*])c([*])c1,0.09293299
23445,COc1ccc(OCCN2CCN(c3ccccc3OC(C)C)CC2)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.9033882
23446,COc1ccc(OCCN=S(C)(=O)O)cc1NCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.060058944
23447,COc1ccc(OCCNS(C)(=O)=O)cc1NCC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.30089992
23448,COc1cccc2c(CCCN3CCN(Cc4cccc(Cl)c4)CC3)cccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6291906
23449,COc1cccc2c1CCCC2CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6563414
23450,COc1ccccc1N1CCN(CCCOc2ccc(ONC(C)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.88875645
23451,COc1ccccc1N1CCN(CCN2CCC(Cn3nc(-c4ccccc4)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7943903
23452,COc1ccccc1N1CCN(CCN2CCC(c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9052934
23453,COc1ccccc1NC1CCN(CCOc2ccc(OS(C)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.52640796
23454,CSOc1ccc(OCCCN2CCC(Cc3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.64005977
23455,CSOc1ccc(OCCN2CCCC(c3ccc(OCC(F)(F)F)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.50512826
23456,CSOc1ccc(OCCSCCCc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.20298761
23457,CSc1ccccc1N1CCN(CCN2CCC(Cc3cc4ccccn4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71169555
23458,Cc1cc(OCCCNS(C)(=O)=O)ccc1ONC(=O)Cc1ccc2c(c1)CC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.064212956
23459,Cc1cc(OCCNC(=O)C2(C)Cc3ccccc3C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.032612614
23460,Cc1cc(OCCNCC=Cc2ccccc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10397407
23461,Cc1cc(OCCNCCOC2CCc3ccc(F)cc3CNS2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.23065491
23462,Cc1cc(OCCNS(C)(=O)=O)ccc1OC=CCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.109796844
23463,Cc1cc(OCCS(C)(=O)=O)ccc1OCc1ccc(OCCF)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.058614194
23464,Cc1cccc2c1CN1CCc3cc(-c4cccc(CO)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5585816
23465,Cc1cccc2c1CN1CCc3cc(CNOCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48261416
23466,ClC1CCN(CCN2CCN(c3ccccc3-c3cn(Br)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7968509
23467,FC(F)(F)CCCN1CCN(Cc2cccc(Cc3ccccc3-c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5620277
23468,Fc1cccc(CN2CCN(CCCc3nc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66114426
23469,N#Cc1ccccc1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72612697
23470,O=C(O)Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.33816057
23471,O=C(c1ccc(O)cc1)c1ccccc1N1CCN(CCN2CCC(O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64210594
23472,O=C1CCc2ccccc2N1c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7747649
23473,Oc1cc2c(cc1O)C1Cc3cccc(Cc4ccncc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6839996
23474,C#Cc1cccc(-c2ccc(C(=O)NCCN3CCN(OC)CC3)cc2OC)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.24064253
23475,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3cc(C#N)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8341063
23476,CCC1CCN(CCOc2ccc(OC)c(S(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5465555
23477,CCCOc1ccc(OC)c(NC(=O)c2cc3ccccc3s2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04159883
23478,CCCOc1ccc(OC[SH](C)(=O)O)c(N2CCC(c3ccc(CC(C)=O)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14091508
23479,CCCOc1ccc(ON2CCN(CCc3ccccc3)CC2)c(C(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4541946
23480,CCCOc1ccc(ON2CCN(Cc3ccccc3OC)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.56077445
23481,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(COc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35294685
23482,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(Oc3ccc(CCC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28647634
23483,CCCOc1ccc(OOCC)c(N2CCCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23872133
23484,CCCOc1ccc(OS(C)(=O)=O)c(C2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35291737
23485,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3cccc4c3NC(=O)CCC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37402517
23486,CCCc1ccc(OCCOc2ccc(OCCNS(C)(=O)=O)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.085413374
23487,CCOc1ccc(N2CCN(Oc3ccc(OCCCF)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.1916564
23488,CCOc1cccc2c1CN1CCc3cc(OC)c([N+](=O)c4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6066021
23489,CCOc1ccccc1N1CCN(CCN2CCC(n3cc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8654127
23490,CCOc1ccccc1N1CCN(c2cc(OCCSC)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31843284
23491,COC1CCN(CCN2CCN(c3ccccc3-c3ccnc(-c4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79410195
23492,COCCCN1CCN(Cc2cccc(CNC(=O)c3ccc4c(c3)-c3ccccc3CC4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5663288
23493,COOc1ccc(OCCN2CCC(Oc3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6519339
23494,COc1cc(Oc2ccc(OCCN=S(C)(=O)O)cc2C)ccc1CCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.06767519
23495,COc1cc2c(cc1O)C1Cc3cccc(C4(O)CCC(NC(=O)c5cc6ccccc6[nH]5)C4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52152514
23496,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(F)cc3F)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6964298
23497,COc1cc2c(cc1OC)C1Cc3cccc(OC(F)(F)F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8514626
23498,COc1cc2c(cc1OCc1ccc(CO)cc1)CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60840833
23499,COc1ccc(CC2CCN(CCOc3ccc(ON=S(C)(=O)O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.5173601
23500,COc1ccc(N2CCN(Oc3ccc(OCCF)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.28265342
23501,COc1ccc(OCC=S(C)(=O)O)cc1C(F)COc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.068162255
23502,COc1ccc(OCCCCNC(=O)c2ccc(C(C)C)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.025718575
23503,COc1ccc(OCCN2CCC(NC(C)=O)C2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4256125
23504,COc1ccc(OCCN2CCN(Cc3cccs3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.60584974
23505,COc1ccc(OCCN2CCN(c3ccc(CS(C)(=O)=O)cc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.7599618
23506,COc1ccc(OCCNC(=O)C=O)cc1N1CCCC(CCc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.1599522
23507,COc1ccc(OCCNC(=O)Cc2cccs2)cc1N1CC(C)CN(C)C1,[*]CCOc1ccc(O[*])c([*])c1,0.11753786
23508,COc1ccc2sc(C(=O)Nc3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)cc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.3985659
23509,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(C)CC2)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30046657
23510,COc1ccccc1N1CCN(Oc2ccc(OCCc3ccc(C(C)O)cc3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27264214
23511,Cc1cc(OCCF)ccc1ON1CCN(c2ccccc2OC(C)C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4079285
23512,Cc1cc(OCCN2CCCC(Oc3ccc(Cl)cc3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.575525
23513,Cc1cc(OCCNS(=O)(=O)c2ccc3ccccc3c2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.05463999
23514,Cc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cccc(CO)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47361743
23515,Cc1ccccc1N1CCN(CCN2CCC(N(C(=O)c3ccccc3)c3cccc(C#Cc4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6993167
23516,Cc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccc(F)cc4)ccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7175263
23517,Clc1cccc(CN2CCN(CCCN3CCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.75876576
23518,Clc1ccccc1N1CCN(CCN2CCC(Cc3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8043702
23519,Fc1cnn(C2CCN(CCN3CCN(c4ccccc4OC(F)(F)F)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8909216
23520,N#Cc1cccc(COc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6196638
23521,O=C([O-])c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41994604
23522,O=S1(=O)Cc2ccccc2C1NCc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46123278
23523,OCc1cc2c(cc1-c1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5752407
23524,Oc1cc2c(cc1O)C1Cc3cccc(Cc4ccc5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6804758
23525,CC(=O)NOc1ccc(OCCCN2CCN(c3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.68550575
23526,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.86088556
23527,CCCOc1ccc(OC=NC)c(N2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34197414
23528,CCCOc1ccc(ON)c(CNc2ccccc2OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08856508
23529,CCCOc1ccc(ON2C=C(C[SH]=O)CCC2)c(N2CCCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.120457985
23530,CCCOc1ccc(ON=S(C)(=O)O)c(N2Cc3ccccc3CC2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11631978
23531,CCCOc1ccc(OOC)c(CN2CCC(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.68381435
23532,CCCOc1ccc(OS(C)(=O)=O)c(Cc2ccc(OCC(F)(F)F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.096611395
23533,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC3(CC(=O)C(c4ccccc4)=CC3=O)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19042794
23534,CCCc1ccc(-c2cc(OCCS(C)(=O)=O)ccc2OC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.0899502
23535,CCOc1ccccc1C1CCCN(CCOc2ccc(OC)c(OS(C)(=O)=O)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.62281984
23536,CCc1ccc(CC(=O)NCCOc2ccc(ON=S(C)(=O)O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.023031933
23537,CN(C)c1ccc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76365805
23538,COC(=O)OCc1ccc(Cc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39199677
23539,COC1CCN(CCN2CCN(c3ccccc3-c3cnn4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7170961
23540,COC1CCN(CCN2CCN(c3ccccc3-n3cnc4ccccc4c3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65959513
23541,COC1CCN(CCN2CCN(c3ccccc3Cc3cc4ccccc4nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67902416
23542,COCCOc1ccc(ON2CCN(c3ccc(C)c(F)c3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27319252
23543,CON1CCN(CCNC(=O)c2ccc(-c3ccccc3[O-])c(C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3083852
23544,COc1cc2c(cc1CCc1ccccc1)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78156585
23545,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)O)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6426988
23546,COc1ccc(OCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.8602551
23547,COc1ccc(OCCN2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)cc1OC(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.623426
23548,COc1ccc(OCCN2CCN(c3ccccc3OCCF)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.81580794
23549,COc1ccc(OCCNC2CCN(Cc3ccccc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4255844
23550,COc1ccc(OCCNC=S(=O)(O)O)cc1N1CCC(Cc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.32058597
23551,COc1ccc(OCCS(C)(=O)=O)cc1-c1ccc(CCc2ccc(F)cc2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07660452
23552,COc1cccc(CCNOc2ccc(OCCOS(=O)(=O)C(F)(F)F)cc2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11335189
23553,COc1cccc(CN2CCN(CCCC(=O)C(=O)NC3CCCCC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.43289924
23554,COc1cccc(CN2CCN(CCCC3(C)CC(=O)Nc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4547642
23555,COc1cccc(CO)c1-c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6267913
23556,COc1ccccc1-c1cc(C(=O)NCCN2CCN(N)CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35455483
23557,COc1ccccc1CC1CCN(CCOc2ccc(OOS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5809195
23558,COc1ccccc1N1CCN(CCN2CCC(Cc3ccc4cccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81927127
23559,CSc1ccc(C2CCN(COc3ccc(OCCNS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.38586488
23560,CSc1ccc(CS(=O)(=O)Oc2ccc(OCCN)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.053332433
23561,Cc1cc(OCCN2CCC(Cc3ccccc3N3CCCCC3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.40636
23562,Cc1cc(OCCN2CCOC(CCc3ccc(F)cc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.46037668
23563,Cc1cc(OCCNC(=O)Cc2ccc(F)cc2)ccc1ON1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.08615643
23564,Cc1ccc(CCCCN2CCN(Cc3cccc(Cl)c3)CC2)o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67197317
23565,FCCCN1CCN(Cc2cccc(-c3ncc(-c4ccccc4)s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.609428
23566,NC(=O)NCCc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5074411
23567,O=C(NCCCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1)C1(c2ccccc2)CCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5957625
23568,O=C(NO)c1ccc(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8013226
23569,O=Cc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1Cl,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6522421
23570,O=c1ccc2c(CCCCN3CCN(Cc4cccc(Cl)c4)CC3)cccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6489192
23571,OCCON=Cc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6299793
23572,Oc1ccc2ccc(OCC3CCN(CCN4CCN(c5ccccc5Cl)CC4)CC3)cc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7679336
23573,Oc1cccc2c1CN1CCc3cc(-c4ccc(Oc5ccccc5)cc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6826865
23574,Oc1cccn1-c1ccccc1N1CCN(CCN2CCC(C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69979024
23575,CC(O)c1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7193188
23576,CC=S(=O)(O)Oc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49513784
23577,CCCOc1ccc(OCN2CCC(C(=O)c3ccc(S(C)(=O)=O)cc3)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3454462
23578,CCCOc1ccc(ON)c(N2CCN(c3ccccc3C(C)C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31957233
23579,CCCOc1ccc(ON2CCN(C)CC2)c(-c2ccc(NC(C)=O)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14118564
23580,CCCOc1ccc(ON2CCN(Cc3cccc(OC)c3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5733169
23581,CCCOc1ccc(ON=S(C)(=O)O)c(Nc2ccc(CCC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.063126
23582,CCCOc1ccc(ONC(=O)c2ccc(F)cc2)c(OCCN2CCCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2544096
23583,CCCOc1ccc(OS(=O)(=O)c2ccccc2)c(N2CCC(C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28630644
23584,CCCOc1ccc(OS(N)(=O)=O)c(CNC2Cc3cc(CC)c(OCC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38756374
23585,CN1CCN(CCNC(=O)c2ccc(Cl)c(-c3ccccc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3528857
23586,CNC(=O)Oc1ccc(OCCSCc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.0321224
23587,COCCCN1CCN(Cc2cccc(C(=O)c3ccccc3N(C)C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49481195
23588,COCCOc1ccc(OCN2CCN(c3ccc(C(C)=O)cn3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21890144
23589,COCCOc1ccc(ON2CCC(c3cc(CCF)on3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28104964
23590,COc1cc2c(cc1C(=O)Nc1ccc(C)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.29869857
23591,COc1cc2c(cc1CN(C)OCc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7109681
23592,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccc(CNC(C)=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5230136
23593,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)OCc4ccc(CNC(C)=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41739845
23594,COc1cc2c(cc1Oc1cccc(CO)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60808975
23595,COc1ccc(-c2cc(C(=O)NCCN3CCN(OC)CC3)ccc2C)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.21215887
23596,COc1ccc(OCCC(N)=O)cc1N1CCN(c2cccc(C(F)(F)F)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22836255
23597,COc1ccc(OCCCN2CCC(Cc3ccc4ccccc4c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.586554
23598,COc1ccc(OCCN2CCC(Nc3ccccc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.54279596
23599,COc1ccc(OCCN2CCCC(C(=O)c3ccc(F)cc3)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.3279276
23600,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(Cc2ccc(OC3CCC(=O)NC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21317549
23601,COc1ccc(OCCN=S(C)(=O)O)cc1NCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.063318744
23602,COc1ccc(OCCS(C)(=O)=O)cc1CC(C)Cc1ccc(OC2CCCCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.12933144
23603,COc1ccc(OCCSCCCc2ccc3c(c2)NC(=O)CCC3)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.21241505
23604,COc1ccc2cc(C(=O)c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)ccc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6368223
23605,COc1ccc2ccc(CC3CCN(CCOc4ccc(OC)c(OS(C)(=O)=O)c4)CC3)cc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.50317323
23606,COc1cccc(-c2ccc(C(=O)NCCN3CCN(O)CC3)cc2OC)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26121792
23607,COc1cccc(CN2CCN(CCCC(=O)c3ccc4ccccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5837646
23608,CSOc1ccc(OCCN2CCCN(c3ccc(Cl)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.71182215
23609,CSc1ccc(CS(=O)(=O)Oc2ccc(OCCNS(=O)(=O)Cc3ccc(F)cc3)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.08624925
23610,Cc1cc(OCCC(=O)COc2ccccc2)ccc1ON1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.08700555
23611,Cc1cc(OCCCCOc2ccc(C(F)(F)F)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.06841236
23612,Cc1cc(OCCNS(=O)(=O)c2cccc(C(C)C)c2)ccc1ON1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2881998
23613,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCN(CCc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.36028206
23614,Cc1cc(OCCOc2ccccc2C(C)C)ccc1ON1CCN(S(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20482203
23615,Cc1ccccc1N1CCN(CCN2CCC(COc3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64741194
23616,FC(F)(F)OCCCN1CCN(Cc2cccc(-c3ccc4ncccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6259395
23617,FCCCN1CCN(Cc2cccc(N3CCCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65975875
23618,N#Cc1cccc(CNCc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5877001
23619,NC(=O)c1cccc(CCCN2CCN(Cc3cccc(Cl)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5860335
23620,Nc1ccc2c(-c3cccc(CN4CCN(CCCF)CC4)c3)cccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6395591
23621,O=C(Cc1cccc(CN2CCN(CCCCl)CC2)c1)OCc1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5522953
23622,O=S(=O)(Nc1cccc(CN2CCN(CCCF)CC2)c1)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49894318
23623,Oc1cc(OCc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c2ccccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6459542
23624,Oc1cc2c(cc1NC=CCc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49573678
23625,Oc1cccc2c1CN1CCc3cc(-c4ccc(Oc5ccc(F)c(F)c5)cc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5973234
23626,Oc1cccc2c1CN1CCc3cc(Cl)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8178208
23627,CC(C)(C)OC(=O)Nc1ccc(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6312293
23628,CC(C)c1ccccc1N1CCN(CCN2CCC(NC(=O)Nc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5633075
23629,CC1CCN(CCN2CCN(c3ccccc3NC(=O)c3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.40945643
23630,CCCOc1ccc(ON)c(C(=O)COc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11224304
23631,CCCOc1ccc(ON2CCN(C(C)=O)CC2)c(CCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.087638274
23632,CCCOc1ccc(ON=S(C)(=O)O)c(NCc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19986697
23633,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3ccc(CCC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30485308
23634,CCCOc1ccc(OSC)c(CCOc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19903575
23635,CCCOc1ccc(OSC)c(N2CCC(c3ccc4ccccc4c3)C(=O)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24678096
23636,CCCOc1ccc(OSC)c(N2CCCC(Cc3ccc(OC4CCC(=O)NC4)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2135899
23637,CCNC(=O)Nc1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34255645
23638,CCNc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5239009
23639,CCc1ccccc1N1CCN(CCN2CCC(c3cc4ccc3NC(=O)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77788746
23640,COCCOc1ccc(OC)c(N2CCN(c3ccc(OCC(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30453026
23641,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccc(O)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3130823
23642,COc1cc2c(cc1-c1cccc([N+](=O)[O-])c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46548146
23643,COc1cc2c(cc1C(C)OCc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7104627
23644,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)OCc3ccncc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53866243
23645,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc5cccc(C)c5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5071662
23646,COc1ccc(CC2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)cc1OC,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78026307
23647,COc1ccc(OCCC(C)C)cc1CNS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.0695565
23648,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.60202605
23649,COc1ccc(OCCNC(=O)c2cccc(C(F)(F)F)c2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.018187894
23650,COc1ccc(OCCNC(=O)c2ccccc2)cc1CN1CCC(S(=O)(=O)c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27067643
23651,COc1ccc(OCCNCCc2ccc(F)cc2)cc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.17408523
23652,COc1cccc(CN2CCN(CCCCC(=O)N3CCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5068568
23653,COc1cccc(CN2CCN(CCCc3cccc4c3NC(=O)C(C)(C)C4)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6874565
23654,COc1ccccc1N1CCN(CCN2CCC(c3cccc(C#N)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8835285
23655,COc1ccccc1N1CCN(CCN2CCC(c3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8915054
23656,COc1ccccc1N1CCN(CCN2CCC(c3ccn4nccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8281799
23657,COc1ccccc1N1CCN(CCN2CCC(c3ncc(-c4cccs4)o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8258245
23658,CSOc1ccc(OCCNC2CCN(Cc3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.4970212
23659,CSc1ccc(CN2CCN(Oc3ccc(OCCOC(C)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.33501315
23660,Cc1cc(OCCNC(=O)COc2ccc3c(c2)CC(=O)CC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.058182046
23661,Cc1cc(OCCNC(=O)c2ccc3ccccc3c2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.0116925975
23662,Cc1cc(OCCNCCc2ccc3ccccc3c2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.19264486
23663,Cc1cc(OCCNS(=O)(=O)c2cccc(Cl)c2)ccc1OOC1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.14052889
23664,Cc1cc(OCCO)ccc1ON1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.26998296
23665,Cc1ccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2Cl)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.1539322
23666,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70655197
23667,Cc1cn(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c(-c2ccccc2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6683431
23668,FC(F)(F)Oc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccccc4)no3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8212188
23669,Fc1cccc(CN2CCN(CCCC3Cc4ccccc4C3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7168583
23670,O=C(NCC1CCN(CCN2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1)c1ccc2ccccc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6243471
23671,O=C(NCCCCN1CCN(Cc2cccc(Cl)c2)CC1)c1ccoc1-c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6426167
23672,O=C1CCc2ccc(Oc3cccc(CN4CCN(CCCOCCF)CC4)c3)cc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7552449
23673,O=C1Cc2ccccc2N1CCCN1CCN(Cc2cccc(CO)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7525352
23674,O=C1Cc2ccccc2NC1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6892058
23675,Oc1cc(-c2cccc(CN3CCN(CCCCl)CC3)c2)cc(C=Cc2ccccc2)n1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60858935
23676,Oc1cc2c(cc1CNc1cccc(Cl)c1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.511778
23677,Oc1cc2c(cc1O)C1Cc3cccc(-c4ccc(OC(F)(F)F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69981295
23678,Oc1cccc2c1CN1CCc3cc(NOC=Cc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5937527
23679,C=Cc1cccc(C(=O)NCCCCN2CCN(Cc3cccc(OC)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5823665
23680,CC1CCN(CCN2CCN(c3ccccc3-c3ncco3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76893586
23681,CCC(O)=Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.651595
23682,CCCOc1ccc(OC=[SH]O)c(CCOc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21665482
23683,CCCOc1ccc(OCCF)c(CNC(=O)CN2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21779996
23684,CCCOc1ccc(ON2CCC(C(=O)c3ccc(SC)cc3)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14294139
23685,CCCOc1ccc(ON2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3247492
23686,CCCOc1ccc(OS(=O)(=O)O)c(N2CCC(Oc3ccc(C(C)C)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24650708
23687,CCCOc1cccc(CCOc2ccc(OC)c(NS(C)(=O)=O)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11307457
23688,CCOCCOc1ccc(OC)c(NS(=O)(=O)c2ccc(C(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.066985436
23689,CCOc1cccc(CN2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5351401
23690,CNOc1ccc(OCCNC(=O)Cc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.03710235
23691,CNc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5128867
23692,CNc1ccc(C(=O)c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6576338
23693,COC1CCN(CCN2CCN(c3ccccc3-c3cc(O)nc4ccc(CO)cc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73256546
23694,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccc(F)cc4)[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8261207
23695,COC1CCN(CCN2CCN(c3ccccc3-c3ccncc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8343346
23696,COCCCN1CCN(Cc2cccc(Cc3cccc(OC)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6113812
23697,COCCOc1ccc(OC)c(C2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22587901
23698,COOc1ccc(OCCN2CCC(Cc3ccc(F)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5399297
23699,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3cccs3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7640977
23700,COc1cc2c(cc1OC)C1Cc3cccc(C4CCCN(OCc5ccc(C)cc5)C4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5288555
23701,COc1ccc(C(=O)c2cc3c(cc2OC)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5254719
23702,COc1ccc(C2CCN(CCN3CCN(c4ccccc4C(C)O)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67073244
23703,COc1ccc(OCCC(N)=O)cc1NCC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.19249605
23704,COc1ccc(OCCCS(N)(=O)=O)cc1N1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31824875
23705,COc1ccc(OCCN2CCC(CCc3ccc4c(c3)NC(=O)CC4)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.67720735
23706,COc1ccc(OCCN2CCCC(Cc3ccccc3)C2)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.35392207
23707,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCC(COc2ccc3c(c2)NC(=O)CC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.29537752
23708,COc1ccc(OCCN=S(C)(=O)O)cc1NC(=O)Cc1ccc(C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.006814887
23709,COc1ccc(OCCNCCc2ccccc2)cc1S(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.1733953
23710,COc1ccc(OCCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.05600841
23711,COc1ccc(OCCNS(C)(=O)=O)cc1CCCc1ccsc1,[*]CCOc1ccc(O[*])c([*])c1,0.104019664
23712,COc1cccc(CN2CCN(CCCc3ccc4ccc(C(N)=O)cc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48730174
23713,COc1cccc2c1CN1CCc3cc(C(OC)c4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63950455
23714,COc1ccccc1-c1cc(C(=O)NCCN2CCN(C=O)CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.41152737
23715,COc1ccccc1CN1CCC(CCOc2ccc(OC)c(S(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.44384092
23716,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cnc(O)c4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8249287
23717,COc1ccccc1N1CCN(CCN2CCC(Oc3cccc(F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8909962
23718,COc1ccccc1N1CCN(CCN2CCC(c3cc(O)nc4cc(F)ccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8005383
23719,CSOc1ccc(OCCN2CCc3cc(C(C)=O)ccc3C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.3391743
23720,Cc1cc(O)ccc1-c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64952374
23721,Cc1cc(OCCN2CCC(Cc3ccc(OC4CCCCN4)cc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.52979606
23722,Cc1cc2c(cc1COCc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64187443
23723,Cc1cccc(-c2cc(C(=O)NCCN3CCN(Cl)CC3)ccc2O)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.28543195
23724,ClC1CCN(CCN2CCN(c3ccccc3COc3ccnc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74837965
23725,O=C(CCCN1CCN(Cc2cccc(-c3ccccc3)c2)CC1)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65692663
23726,O=C(c1cccc(CN2CCN(CCCCl)CC2)c1)c1cc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5197969
23727,O=S(=O)(NCCCCN1CCN(Cc2cccc(Cl)c2)CC1)c1cc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6898017
23728,Oc1cc2c(cc1C1=CCCCC1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6718459
23729,Oc1cc2c(cc1O)C1Cc3cccc(CNc4ccc5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5052293
23730,Oc1nc(-c2ccccc2)cn1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74224544
23731,CCCOc1ccc(OF)c(CN2CCN(C(=O)c3ccc(OC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07313637
23732,CCCOc1ccc(ON2CCC(c3ccc(OCC)cc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3882474
23733,CCCOc1ccc(ON2CCN(CCc3ccccc3OC)CC2)c(NS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.442312
23734,CCCOc1ccc(ON2CCN(c3ccc(Cl)cc3)CC2)c(NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13977341
23735,CCCOc1ccc(ON=S(C)(=O)O)c(C(=O)COc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23781507
23736,CCCOc1ccc(OS(C)(=O)=O)c(CCCc2ccc(SC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08953517
23737,CCCOc1ccc(OSC)c(N2CCCC(C(=O)c3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19274862
23738,CCOc1ccccc1C1CCN(CCOc2ccc(OC)c(S(C)(=O)=O)c2)C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.34472078
23739,COC1CCCN1c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6801332
23740,COC1CCN(CCN2CCN(c3ccccc3-c3c(O)[nH]c4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72944045
23741,COCCCN1CCN(Cc2cccc(-c3ccc4c(C)cc(=O)oc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5470874
23742,COCCCN1CCN(Cc2cccc(C(=O)N3Cc4ccccc4C3C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60353416
23743,COOc1ccc(OCCCN2CCC(c3cccc(C(C)=O)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6699619
23744,COc1cc2c(cc1-c1c(OC)cccc1OC)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7718792
23745,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc(C(C)OC)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6575719
23746,COc1cc2c(cc1O)CCN1Cc3c(cccc3OC(F)(F)F)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.86017025
23747,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)Nc4ccc5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35362124
23748,COc1ccc(Cc2cccc3c2CN2CCc4cc(OC)c(OCc5ccccc5)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65155447
23749,COc1ccc(NCc2cc3c(cc2OC)CCN2Cc4c(cccc4OC)CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41960323
23750,COc1ccc(OCCNC(C)=O)cc1CNc1ccccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.01380755
23751,COc1ccc(OCCNC(C)=O)cc1Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.03360486
23752,COc1ccc(OCCNC(C)=O)cc1N1CCCC(CCc2ccc3c(c2)CCC(=O)N3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.13624299
23753,COc1ccc(OCCS(=O)(=O)O)cc1CCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07375396
23754,COc1ccc(OCCS(C)(=O)=O)cc1CCCc1ccc(C2CNC(=O)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.13365944
23755,COc1ccc(OCCSC)cc1CNC(=O)COc1ccc(C(F)(F)F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.0124661075
23756,COc1ccc(S(=O)(=O)c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6076426
23757,COc1ccc2cnc(C(=O)c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)cc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.62210494
23758,COc1cccc(CN2CCN(CCCCC(=O)N3C(=O)Cc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6540161
23759,COc1cccc(CN2CCN(CCCCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6991236
23760,COc1cccc(CN2CCN(CCCCO)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6334758
23761,COc1cccc2c1CN1CCc3cc(-c4ccc(N(C)C)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7685623
23762,COc1ccccc1N1CCN(CCN2CCC(c3ccc([N+](=O)[O-])cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7769316
23763,COc1ccccc1N1CCN(COc2ccc(OCCNCCc3ccno3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5719908
23764,COc1ccccc1N1CCN(Oc2ccc(OCCc3ccc(F)cc3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3252996
23765,CSc1ccc(C(=O)CN2CCN(COc3ccc(OCCF)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.12157672
23766,Cc1cc(OCCF)ccc1ONCc1ccccc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08788893
23767,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5409579
23768,Cc1cc(OCCN2CCC(Cc3ccccc3)CC2)ccc1OCN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.36120656
23769,Cc1cc(OCCN=S(C)(=O)O)ccc1ONC1CCC(Oc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.09613611
23770,Cc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6266613
23771,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6021192
23772,FC(F)(F)c1cccc(CN2CCN(CCCC3CCc4ccccc4C3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7059849
23773,N#Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7435169
23774,O=C(NC1CCC(CCCN2CCN(Cc3cccc(Cl)c3)CC2)CC1)c1cccs1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54613346
23775,O=C(NC1CCN(CCN2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1)c1cnc2ccccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5658063
23776,O=C(NCc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2)C1CC1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42814833
23777,O=C1CCc2ccc(Cc3cccc(CN4CCN(CCCC(F)(F)F)CC4)c3)cc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66072035
23778,O=C1c2ccccc2Cc2c(CCCN3CCN(Cc4cccc(Cl)c4)CC3)cccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6374461
23779,O=S(=O)(NCc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1)c1ccc(F)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.531042
23780,O=S(=O)(O)c1cccc(CN2CCN(CCCCN3CCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62468517
23781,O=S(=O)(O)c1ccccc1N1CCN(CCN2CCC(c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7609567
23782,OC1c2ccccc2C=CC1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61258084
23783,Oc1cc2c(cc1-c1cncc(F)c1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5644725
23784,Oc1cc2c(cc1O)C1Cc3cccc(OC4CCCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7247553
23785,CC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccc(O)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6471629
23786,CC=S(O)(O)=Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7147372
23787,CCC=Nc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73393214
23788,CCCCN1CCN(Cc2cccc(S(C)(=O)=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4999378
23789,CCCOc1ccc(OCCOc2ccc(F)cc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11746134
23790,CCCOc1ccc(OF)c(NCC(=O)c2ccc(NC=O)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.031888712
23791,CCCOc1ccc(ON=S(C)(=O)O)c(CCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.059552364
23792,CCCOc1ccc(ON=S(C)(=O)O)c(NS(=O)(=O)Cc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05385057
23793,CCCOc1ccc(OOC)c(NC(=O)COc2ccc(C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.010586083
23794,CCCOc1ccc(OS(N)(=O)=O)c(CCCc2ccco2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09602986
23795,CCCc1ccc(OC2CCN(Oc3ccc(OCCN=S(C)(=O)O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.16012177
23796,CCN(C(=O)CCCN1CCN(Cc2cccc(Cl)c2)CC1)C1CCc2ccccc2C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6575755
23797,CCOC(=O)NOc1ccc(OCCCOc2cccc(F)c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.04267464
23798,COCCCN1CCN(Cc2cccc(-c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6324245
23799,COCCOc1ccc(OC)c(-c2cccc(OCCF)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1293739
23800,COCCOc1ccc(OC)c(COc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17451635
23801,COCCOc1ccc(OC)c(N2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.42521954
23802,CON1CCN(CCNC(=O)c2ccc(SC)c(-c3ccccc3Cl)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.36575785
23803,COOc1ccc(OCCNCCc2ccc3c(c2)CCC(=O)S3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.16201554
23804,COc1cc2c(cc1Cc1ccccc1C#N)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7794053
23805,COc1cc2c(cc1O)C1Cc3cccc(-c4c(CO[O-])cccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59710884
23806,COc1cc2c(cc1O)CCN1Cc3c(cccc3S(C)(=O)=O)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6909814
23807,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1cccc(C)c1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.23429707
23808,COc1ccc(COc2cc3c(cc2CO)CCN2Cc4c(O)cccc4CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78689647
23809,COc1ccc(OCCC(C)Cc2ccccc2)cc1N1CCNC(=O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2611639
23810,COc1ccc(OCCCS(=O)(=O)c2cc(F)ccc2C(C)=O)cc1CN(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.050077576
23811,COc1ccc(OCCF)cc1C=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.055148512
23812,COc1ccc(OCCF)cc1CN1CCN(C(=O)C=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1479353
23813,COc1ccc(OCCN2CCC(NC(=O)c3ccc(F)c(F)c3)C2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.39402837
23814,COc1ccc(OCCN2CCCC(c3ccccc3OC)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.68328774
23815,COc1ccc(OCCN=S(C)(=O)O)cc1N1C(=O)CCc2cccc(CC3CCCCC3)c21,[*]CCOc1ccc(O[*])c([*])c1,0.16973305
23816,COc1ccc(OCCSC)cc1CNC(=O)c1ccc(CCCF)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.030271977
23817,COc1ccc(OCC[SH](C)C)cc1N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24779987
23818,COc1cccc(-c2cc(C(=O)NCCN3CCN(N)CC3)ccc2OC)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29346433
23819,COc1cccc(CN2CCN(CCCN3C(=O)CC4(CCCCC4)C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.47866353
23820,COc1ccccc1N1CCN(CCN2CCC(Oc3ccc(C)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7777029
23821,COc1ccccc1N1CCN(CCN2CCC(c3cnccc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87783736
23822,COc1ccccc1N1CCN(CCN2CCC(n3ccc(N)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8785422
23823,COc1ccccc1NC1CCN(CCN2CCN(c3ccccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.55932593
23824,CSc1ccc(OC2CCN(CCOc3ccc(ON=S(C)(=O)O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.4190536
23825,Cc1cc(OCCCCCc2ccc(F)cc2)ccc1OOS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.0822657
23826,Cc1cc(OCCCN2CCC(Oc3ccc(CCF)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5330081
23827,Cc1cc(OCCN2CCC(c3ccccc3OC3CCCC3)C2)ccc1OS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.45833927
23828,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(Cc2ccc(OC3CCCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.14173211
23829,Cc1ccccc1-c1cc(C(=O)NCCN2CCN(F)CC2)ccc1F,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33688477
23830,Cc1ccccc1N1CCN(CCN2CCC(n3cc(Br)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7115618
23831,Clc1ccccc1N1CCN(CCN2CCC(Oc3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82387376
23832,O=C(Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)c1ccccc1Cl,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3907061
23833,O=C(O)Nc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3487862
23834,O=C1c2ccccc2N(CCCN2CCN(Cc3cccc(F)c3)CC2)CN1c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61206067
23835,O=S(=O)(NCc1cccc(CN2CCN(CCCOC(F)(F)F)CC2)c1)c1ccc(F)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5000351
23836,O=[N+](Oc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2)c1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6968167
23837,O=[N+]([O-])c1ccccc1N1CCN(CCN2CCC(COc3ccc4ccc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.55081296
23838,Oc1cc2c(cc1O)C1Cc3cccc(Cc4ccc5[nH]ccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6647458
23839,Oc1nc2ccccc2n1C1CCN(CCN2CCN(c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6226661
23840,CC1CCN(CCN2CCN(c3ccccc3-n3cc(F)cnc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5390534
23841,CC1CCN(CCN2CCN(c3ccccc3-n3cccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.730417
23842,CCCOc1ccc(OCCOc2ccccc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12243024
23843,CCCOc1ccc(OF)c(CNCC2C=CC=C(OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2596753
23844,CCCOc1ccc(ON2CCN(Cc3ccccc3OCC)CC2)c(N)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5873024
23845,CCCOc1ccc(OOC)c(CNC(=O)c2ccc(N(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03504294
23846,CCCOc1ccc(OOC)c(N2CCC(CC(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31699654
23847,CCCOc1ccc(OS(C)(=O)=O)c(NCC2Cc3ccccc3CC2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30243745
23848,CCCc1ccc(OCC(=O)c2cc(OCCS(N)(=O)=O)ccc2OC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.072112106
23849,CCOC(=O)c1cc(OCCCCc2ccccc2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.043420937
23850,CCOCCOc1ccc(OC)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.833773
23851,CCOc1cc2c(cc1N)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73892534
23852,CCOc1cccc(CN2CCN(CCCCN3C(=O)COc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58127356
23853,COC(=O)NCCc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45354587
23854,COC1CCN(CCN2CCN(c3ccccc3-c3nc(-c4ccc(F)cc4)cs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64068234
23855,COCCOc1ccc(OC)c(CCCc2noc3cc(F)ccc23)c1,[*]CCOc1ccc(O[*])c([*])c1,0.099470444
23856,COc1cc2c(cc1C)CCN1Cc3c(Cc4ccc(CO)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59750897
23857,COc1cc2c(cc1OC)C1Cc3cccc(N4CCC(OCc5ccccc5)CC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6352308
23858,COc1ccc(C(=O)NCCN2CCN(c3cccc(OC)c3OC)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.75451785
23859,COc1ccc(OCCC(=O)CCc2ccc3c(c2)CC(=O)CC3)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10860077
23860,COc1ccc(OCCC(C)=O)cc1N1CCC(Cc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28636232
23861,COc1ccc(OCCC(C)=O)cc1N1CCCC(Cc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.24807593
23862,COc1ccc(OCCCN2CCC(Cc3ccccc3)C2=O)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.3908402
23863,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(c2ccccn2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2296343
23864,COc1ccc(OCCN=S(C)(=O)O)cc1NC(=O)C1CCCN(Cc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.14115055
23865,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1OC1CCN(S(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.08893294
23866,COc1ccc(OCCNC(C)=O)cc1CN1CCC(c2coc3ccc(F)cc23)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.38830203
23867,COc1ccc(OCCSC)cc1N1CCC(c2cccc(C(F)(F)F)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31637236
23868,COc1ccc2c(-c3ccc(C(=O)NCCN4CCN(OC)CC4)cc3OC)cccc2c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26782662
23869,COc1cccc2c1CN1CCc3cc(-c4cnccc4C#N)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6473086
23870,COc1ccccc1-c1cc(C(=O)NCCN2CCN(S(=O)(=O)O)CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27117676
23871,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(O)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7966683
23872,COc1ccccc1N1CCN(COc2ccc(OCCc3ccc(F)cc3)cc2C)C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.21758044
23873,Cc1cc(OCCF)ccc1OCN1CCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5525718
23874,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)ccc1O[SH](C)(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.65055084
23875,Cc1cc(OCCN2CCC(NS(=O)(=O)c3cccc(C(F)(F)F)c3)C2)ccc1OC(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.61166894
23876,Cc1cc(OCCNS(=O)(=O)c2ccc(F)cc2)ccc1ON1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.15993795
23877,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cc4ccc3CCc3ccc(cc3)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67847973
23878,Cc1ccccc1N1CCN(CCN2CCC(c3ccc(C#N)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6821136
23879,Clc1cccc(CN2CCN(CCCc3ccc(-c4ccccc4)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.661841
23880,FCCCN1CCN(Cc2cccc(Cc3cnc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65538657
23881,Fc1cccc(C(F)(F)F)c1C1CCN(CCN2CCN(c3ccccc3OC(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80828226
23882,N#Cc1ccccc1-c1cccc2c1CN1CCc3cc(Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59206575
23883,O=C(NC1CCCCC1)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7245639
23884,O=C(NCc1ccccc1F)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47000825
23885,O=C(c1cccc(CN2CCN(CCCCl)CC2)c1)C1Cc2ccccc2C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5768411
23886,O=C(c1ccccc1)c1cccc(CN2CCN(CCC[N+](=O)[O-])CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.45947847
23887,O=C1C(=O)N(CCCN2CCN(Cc3cccc(F)c3)CC2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65240103
23888,O=C1CN(c2cccc(CN3CCN(CCCCl)CC3)c2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66949564
23889,O=S(=O)(CCCN1CCN(Cc2cccc(F)c2)CC1)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57944596
23890,O=S(=O)(O)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68480355
23891,ON=Cc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6125402
23892,Oc1ccccc1N1CCN(CCN2CCC(OC(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76592875
23893,C=CSNc1cc(OCCC(=O)COc2ccccc2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.020763904
23894,CC(=O)c1cccc(CNCCOc2ccc(OS(C)(=O)=O)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08240018
23895,CCCNC1c2ccccc2CCC1c1cc(OCCN=S(C)(=O)O)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.23623882
23896,CCCOc1ccc(OC(=O)NSC)c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11193813
23897,CCCOc1ccc(OC)c(C(=O)C2CCc3cc(OC)c(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27933884
23898,CCCOc1ccc(OC=CCc2ccccc2OC2CCNC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36904284
23899,CCCOc1ccc(OCF)c(CN2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8365817
23900,CCCOc1ccc(OCN2CCN(c3ccc(F)cc3)CC2)c(SC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5728277
23901,CCCOc1ccc(OCl)c(NS(=O)(=O)c2cc3ccccc3cc2OCC(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09176631
23902,CCCOc1ccc(OF)c(CN2CCCC(Cc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.43137738
23903,CCCOc1ccc(ON)c(N2CCC(O)(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30696574
23904,CCCOc1ccc(ON2C=CN(C(C)=O)CC2)c(-c2ccc(C(F)(F)F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11399283
23905,CCCOc1ccc(ON2CCC(c3ccccc3OC3CC3)CC2)c(C(N)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.285576
23906,CCCOc1ccc(OS(C)(=O)=O)c(CNCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0947901
23907,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(COc3ccc4c(c3)NC(=O)CCC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40239894
23908,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3392698
23909,CCCOc1ccc(OSC)c(CCCc2cccc3ccccc23)c1,[*]CCOc1ccc(O[*])c([*])c1,0.099632815
23910,CCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65737736
23911,CCc1ccc(OCC(=O)OCCOc2ccc(OS(C)(=O)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.020832933
23912,CCc1ccccc1C1CCN(CCOc2ccc(ON)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6523215
23913,CNOc1ccc(OCCN2CCC(Cc3ccccc3OC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.52875453
23914,COCCCN1CCN(Cc2cccc(-c3cc4ccccc4[nH]c3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5370189
23915,COCCOc1ccc(OC)c(CNc2ccccc2OCCF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0948816
23916,COCCOc1ccc(ON2CCN(c3ccccc3C(C)C)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30886486
23917,CON1CCN(CCNC(=O)c2ccc(F)c(-c3ccc(Cl)cc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3150546
23918,COc1cc(OCCc2cc(F)ccc2F)ccc1OCNCC1CCc2ccccc2O1,[*]CCOc1ccc(O[*])c([*])c1,0.56448394
23919,COc1cc2c(cc1CNCc1ccc(CO)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6366248
23920,COc1cc2c(cc1O)C1Cc3cccc(OCc4c[nH]c5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7301006
23921,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccc(C(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68513083
23922,COc1cc2c(cc1O)CCN1Cc3c(cccc3OC(=O)c3ccco3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5358133
23923,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)Nc4cccc5cccc(OC)c45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.23666479
23924,COc1cc2c(cc1OC)C1Cc3cccc(OCc4cc(CO)c5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50075233
23925,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(-c4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6002071
23926,COc1ccc(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1-c1ccccc1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27950883
23927,COc1ccc(OCCCS(=O)(=O)Cc2ccc(S(C)(=O)=O)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.054148786
23928,COc1ccc(OCCN2CCC(C)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.49197543
23929,COc1ccc(OCCN2CCC(Oc3ccc4coc(=O)cc4c3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5520726
23930,COc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1N1CCCC(S(=O)(=O)c2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.0948102
23931,COc1ccc(OCCS(C)(=O)=O)cc1N1CC2CCCCC(CC2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.23623788
23932,COc1cccc(CN2CCN(CCCCc3ccc4occc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67647296
23933,COc1cccc(CN2CCN(CCCCc3ncco3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68170047
23934,COc1cccc(CN2CCN(CCCc3cccc(C(F)(F)F)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6201897
23935,COc1cccc(NC(=O)Oc2cc3c(cc2OC)CCN2Cc4c(cccc4OC)CC32)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34276798
23936,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(C=O)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.36886042
23937,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cnc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83361965
23938,CS(=O)(=O)c1ccccc1N1CCN(CCN2CCC(n3ccc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71493834
23939,Cc1cc(OCCN2CCC(Oc3ccc(F)cc3)CC2)ccc1OSO,[*]CCOc1ccc(O[*])c([*])c1,0.5695887
23940,Cc1cc(OCCN=S(C)(N)=O)ccc1ON1CCCC(Cc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.22535871
23941,Cc1cc(OCCOCCOc2ccc3c(c2)NC(=O)CC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.17648299
23942,Cc1ccccc1N1CCN(CCN2CCC(C(=O)NC3CCCc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6283622
23943,O=C(N=CC1COc2ccccc2N1)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55225205
23944,O=C(Nc1ccc(Cl)cc1)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3293526
23945,Oc1ccc(C(F)c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)nn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6664415
23946,CC(C)(C)CCCN1CCN(Cc2cccc(N3CCc4ccccc4C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72603905
23947,CCCN1CCN(c2cc(OCCOC)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.75636584
23948,CCCOc1ccc(OCF)c(CCN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8793987
23949,CCCOc1ccc(ON=S(C)(=O)O)c(NC(=O)CCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.007994339
23950,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(Cc3ccc4c(c3)NC(=O)CCC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38011974
23951,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(CCc3ccc4c(c3)NC(=O)CC4C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26197308
23952,CCCOc1ccc(OSC)c(N2CCC(Cc3ccc4ccc(OC)cc4c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32066447
23953,CCOc1ccccc1N1CCN(CCN2CCC(c3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82092947
23954,CN=S(=O)(O)CCOc1ccc(OC)c(N2CCC(C(O)(F)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22316888
23955,CNC(=O)CCOc1ccc(OC)c(N2C(=O)CCc3ccc(CC4CCC4)cc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10515324
23956,COC1CCN(CCN2CCN(c3ccccc3-c3c(O)oc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7022914
23957,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(Br)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.813536
23958,COC1CCN(CCN2CCN(c3ccccc3Oc3cccc(-c4ccccn4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8338204
23959,COc1cc(OCCF)ccc1OCN1CCC(C(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5033838
23960,COc1cc2c(cc1-c1ccc3cccc(CO)c3c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5797335
23961,COc1cc2c(cc1O)C1Cc3cccc(CNOCc4ccc([N+](=O)[O-])cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47942263
23962,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccccc4CO)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7732494
23963,COc1ccc(Cc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1OC,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70150095
23964,COc1ccc(OCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)cc1C(=O)NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.86745906
23965,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCC(Cc2ccc(C)cn2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.12457402
23966,COc1ccc(OCCNC(=O)Cc2ccc3c(c2)CCOC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.05846094
23967,COc1ccc(OCCNC(=O)Cc2ccncc2)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.57964677
23968,COc1ccc(OCCS(=O)(=O)O)cc1N1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.26638132
23969,COc1ccc(OCCS(C)(=O)=O)cc1CCCc1ccc(SC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.08733902
23970,COc1ccc(OCCc2ccc(SC)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.074969806
23971,COc1cccc2c1CN1CCc3cc(-c4ccon4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7091963
23972,COc1cccc2c1CN1CCc3cc(O)c(N(C)C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7279138
23973,COc1ccccc1-c1cc(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27590263
23974,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(SC)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32469678
23975,COc1ccccc1N1CCCN(CCOc2ccc(OS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.703345
23976,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3cc(O)nc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75298816
23977,COc1ccccc1N1CCN(CCNC(=O)c2ccc(C)c(C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.8876249
23978,COc1ccccc1N1CCN(COc2ccc(OCCCF)cc2S(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6873404
23979,CSOc1ccc(OCCCN2CCC(c3ccc(F)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6585103
23980,CSc1ccc(C(=O)C2CCN(CCc3cc(OCCF)ccc3ONS(C)(=O)=O)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.55686706
23981,Cc1cc(OCCN2CCCC(CCc3ccc4c(c3)NC(=O)CC4)C2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.4777447
23982,Cc1cc(OCCN2CCN(c3ccc(OCC(F)(F)F)cc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.53277653
23983,Cc1cc(OCCN=S(C)(=O)O)ccc1ONCc1ccc(OC2CCNCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.114904344
23984,Cc1cc(OCCNCc2ccccc2)ccc1OS(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.27045608
23985,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(Oc2ccc(CC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21543857
23986,Cc1cc(OCCS(N)(=O)=O)ccc1ON1CCC(Oc2ccc(Br)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22225438
23987,FCCOc1ccccc1N1CCN(CCN2CCC(n3cc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8547977
23988,N#Cc1cccc(-c2cc(C(=O)NCCN3CCN(Cl)CC3)ccc2Cl)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.34941596
23989,N#Cc1ccccc1-c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62511075
23990,O=C(Cc1ccccc1)Nc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.22198614
23991,O=C(O)C1Cc2ccccc2N1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5615161
23992,O=C([O-])c1ccc(Cc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4326377
23993,O=C1c2ccccc2S(=O)(=O)N1c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58020544
23994,O=c1c2ccccc2[nH]c2c(-c3cccc(CN4CCN(CCCCl)CC4)c3)cccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5908691
23995,Oc1cccc2c1CN1CCc3cc(CNc4c(Cl)cccc4Cl)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6477178
23996,Oc1cccc2c1CN1CCc3cc(Oc4ccncc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6864191
23997,C=Cc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65982527
23998,CC#Cc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77201563
23999,CC(C)C(=O)Nc1cccc(CCCN2CCN(Cc3cccc(Cl)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.33924618
24000,CC(O)c1ccccc1N1CCN(CCN2CCC(c3cccc(C(F)(F)F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5988977
24001,CC1(C)Cc2ccccc2N1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67770594
24002,CCCC1CCCN(CCOc2ccc(ONS(C)(=O)=O)c(C)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.37920165
24003,CCCOc1ccc(OCC2C=CNC(=O)C2)c(Cc2ccc(CCC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16615148
24004,CCCOc1ccc(OCN2CCN(c3ccccc3OC)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.80473304
24005,CCCOc1ccc(ONC=O)c(NCC(=O)c2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0530805
24006,CCCOc1ccc(OS(C)(=O)=O)c(C(C)CCc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23623629
24007,CCCOc1ccc(OS(C)(=O)=O)c(Cc2ccc(NC(C)=O)c(OC)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.042275786
24008,CCCOc1ccc(OS(C)(=O)=O)c(NCCc2cc3c(cc2OC)CCC(=O)C3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13774696
24009,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(Oc3ccc(CC4CCC4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25900418
24010,CCCOc1ccc(OS(N)(=O)=O)c(NC2CCc3ccc(OCC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.45833746
24011,CCOC(=O)Oc1ccc(OCCN2CCN(c3ccccc3OCC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.52190065
24012,CCOOc1ccc(OCCN2CCN(c3cc(F)ccc3F)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6345642
24013,COC(=O)c1cc2c(cc1OC)C1Cc3cccc(CO)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49045736
24014,COCCCN1CCN(Cc2cccc(-c3ccc4c(c3)CCOC4=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62846124
24015,COCCCN1CCN(Cc2cccc(CCNC(=O)c3ccccc3O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.44526047
24016,COCCOc1ccc(OC)c(N2CCCC(CCc3cc4c(c(=O)[nH]3)CCC(=O)C4)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30012992
24017,CON1CCN(CCNC(=O)c2ccc(C)c(-c3ccc(F)cc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27690774
24018,COc1cc2c(cc1CN(C)C)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7525407
24019,COc1ccc(-c2cccc3c2CN2CCc4cc(OCc5ccccc5)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64368147
24020,COc1ccc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)cc1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.9568579
24021,COc1ccc(C(O)c2cc3c(cc2OC)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5294567
24022,COc1ccc(CC2CCN(Oc3ccc(OCCCNS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.18810451
24023,COc1ccc(Cl)cc1C(=O)NC1CCN(CCN2CCN(c3ccccc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6779738
24024,COc1ccc(OCCC(C)C)cc1NC(=O)C1CCCN(Cc2ccc(Cl)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.15710631
24025,COc1ccc(OCCC2CCN(C)CC2)cc1-c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.56624144
24026,COc1ccc(OCCF)cc1CN1CCC(S(=O)(=O)N2c3ccccc3CC2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.48000166
24027,COc1ccc(OCCN2CCCC(Cc3ccc(OC4CCCCC4)cc3)C2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.35626927
24028,COc1ccc(OCCN2CCN(c3ccccc3OC)CC2)cc1SC(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.8279321
24029,COc1ccc(OCCN=S(C)(=O)O)cc1NCC1Cc2ccccc2CO1,[*]CCOc1ccc(O[*])c([*])c1,0.18248205
24030,COc1ccc(OCCNC(=O)Cc2ccc3c(c2)NC(=O)CC3)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.06814016
24031,COc1ccc(OCCNCC2CCC(F)CC2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13649271
24032,COc1ccc(OCCNS(C)(=O)=O)cc1-c1ccc(CC(C)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.02878427
24033,COc1ccc(OCCS(C)(=O)=O)cc1C(F)COc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.08539749
24034,COc1cccc(CN2CCN(CCCCNS(=O)(=O)c3cccc4cc(OC)ccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5749774
24035,COc1cccc2c1CN1CCc3cc(Cn4cccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7456463
24036,COc1ccccc1NC1CCN(CCOc2ccc(OS(N)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.54037833
24037,COc1oc(CCCN2CCN(Cc3cccc(Cl)c3)CC2)cc1-c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6360255
24038,CSc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccc(F)cc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7245797
24039,Cc1cc(OCCCN2CCC(C(=O)O)=Cc3ccccc32)ccc1OF,[*]CCOc1ccc(O[*])c([*])c1,0.17932075
24040,Cc1cc(OCCN2CC(Cc3ccc(F)cc3)CC3CCC(=O)N32)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.20452112
24041,Cc1cc(OCCN2CCC(c3ccccc3C=O)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6123896
24042,Cc1cc(OCCN=S(C)(=O)O)ccc1OS(=O)(=O)Cc1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.04692223
24043,Cc1cc(OCCOS(=O)(=O)C(F)(F)F)ccc1ON1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.26711044
24044,O=C1Cc2ccccc2N1Cc1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60505337
24045,O=Cc1ccc(-c2cccc(CN3CCN(CCCCl)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63955367
24046,O=S(=O)(Nc1cccc(CN2CCN(CCCCl)CC2)c1)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.50557333
24047,Oc1cccc2c1CN1CCc3cc(OCc4ccco4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6639569
24048,CC(C)c1ccc(S(=O)(=O)NOc2ccc(OCCF)cc2C=CCN2CCC3CC(CC3=O)C2=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.18091638
24049,CCC(=O)NC1=CCC(CCCN2CCN(Cc3cccc(Cl)c3)CC2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.33763248
24050,CCCCN1CCN(Cc2cccc(-c3cc4ccccc4[nH]3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5895511
24051,CCCOc1ccc(OCN)c(CN2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.82385683
24052,CCCOc1ccc(ON)c(-c2ccccc2OCCF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13810535
24053,CCCOc1ccc(ON2CCC(C)Cc3ccccc32)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5415313
24054,CCCOc1ccc(ON2CCCN(c3ccccc3OC)CC2)c(C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28770646
24055,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCCC(CCc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18719445
24056,CCCOc1ccc(OOC)c(CC2CCCCN2c2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31264904
24057,CCCOc1ccc(OS(C)(=O)=O)c(CNCc2ccc(OCC(F)(F)F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08766383
24058,CCCOc1ccc(OS(N)(=O)=O)c(CN2CCC(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5378104
24059,CCc1ccccc1N1CCN(CCN2CCC(C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7592646
24060,CNC(=O)CCOc1ccc(OC)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6851332
24061,CNC(=O)c1ccc(OC2CCN(CCOc3ccc(OC)c(SC)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.40631846
24062,COC1CCN(CCN2CCN(c3ccccc3COCC#Cc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76649535
24063,COCCCN1CCN(Cc2cccc(NC(=O)c3ccccc3OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.27014545
24064,CON1CCN(CCNC(=O)c2ccc(S(C)(=O)=O)c(-c3ccc(O)o3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.19472478
24065,COc1cc2c(cc1C(=O)Nc1cccc(C)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.29309317
24066,COc1cc2c(cc1O)C1Cc3cccc(OC4CCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8388184
24067,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccc(C[N+](=O)[O-])cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48500392
24068,COc1cc2c(cc1O)CCN1Cc3c(COc4cccc(C)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7216997
24069,COc1cc2c(cc1OC(=O)Nc1cccc(C)c1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.29210296
24070,COc1cc2c(cc1OC)C1Cc3cccc(COOCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7855038
24071,COc1cc2c(cc1OC)C1Cc3cccc(OC(=O)c4ccc(F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45342952
24072,COc1cc2c(cc1OCc1cccc(CO)c1)C1Cc3cccc(C(C)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45483133
24073,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(cccc3SC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76364326
24074,COc1ccc(CNC(=O)c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7050209
24075,COc1ccc(OCCC(N)=O)cc1CN1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5089525
24076,COc1ccc(OCCF)cc1N1CCN(CC(=O)c2cccc(S(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4338473
24077,COc1ccc(OCCN=S(C)(=O)O)cc1CC1CC(=O)c2ccc(CC3CCCCC3)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.1557952
24078,COc1ccc(OCCN=S(C)(=O)O)cc1NC1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.110861
24079,COc1ccc(OCCOS(=O)(=O)C(F)(F)F)cc1N1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.35671523
24080,COc1ccc(OCCOS(C)(=O)=O)cc1NCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.08258809
24081,COc1ccc(OCCS(C)(=O)=O)cc1CCOc1ccccc1C,[*]CCOc1ccc(O[*])c([*])c1,0.09045079
24082,COc1ccc(OCCS(C)(=O)=O)cc1Cc1ccc(Cl)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.08579695
24083,COc1ccc(OCCS(C)(=O)=O)cc1OC(C)Cc1ccc2c(c1)NC(=O)CO2,[*]CCOc1ccc(O[*])c([*])c1,0.07973014
24084,COc1ccccc1-c1cc(C(=O)NCCN2CCN(F)CC2)ccc1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.37954155
24085,COc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccc(F)cc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.869363
24086,CSc1ccc(C2CCN(CCOc3ccc(ON)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.6917255
24087,CSc1ccc(CC2CCCN(Cc3cc(OCCF)ccc3OS(N)(=O)=O)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.24754123
24088,CSc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccccc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74219215
24089,Cc1cc(OCCCN2CCN(c3cc(F)ccc3F)CC2)ccc1ON=O,[*]CCOc1ccc(O[*])c([*])c1,0.7704369
24090,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCO4)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4943445
24091,Cc1cc(OCCN2CCC(Cc3ccc4ccccc4c3)C2)ccc1ONS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.46775472
24092,Cc1cc(OCCNC=Cc2ccccc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1069734
24093,Cc1cc(OCCOC(=O)COc2ccc3c(c2)CC(=O)CC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06832781
24094,Cc1cc(OCCc2ccc(OCCF)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.06150445
24095,Cc1ccccc1-c1cc(C(=O)NCCN2CCN(C)CC2)ccc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29337558
24096,Cc1ccccc1N1CCN(CCN2CCC(N=CC3Nc4ccccc4C(=O)N3c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.63924086
24097,Clc1ccc(-c2ccc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)o2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7571869
24098,O=S1(=O)C=Cc2cc(F)ccc2N1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66952544
24099,CC(=O)c1cccc(OCC(=O)NCCOc2ccc(ON=S(C)(=O)O)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0337898
24100,CC(C)Oc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72338355
24101,CCCOc1ccc(OCCOc2ccccc2C(C)C)c(N(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18209329
24102,CCCOc1ccc(ONC(C)=O)c(N2CCCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19152798
24103,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(S(=O)c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26505673
24104,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)COc2ccc(CC3CCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.033974476
24105,CCOc1ccccc1N1CCCN(c2cc(OCCSC)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27061093
24106,CNC(=O)CCOc1ccc(OC)c(N2CCC(CCc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20062444
24107,COC(=O)C(=O)N1c2ccccc2CC1c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63327193
24108,COCCOc1ccc(OC)c(-c2ccccc2C(=O)C2CCCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05603783
24109,COCCOc1ccc(OC)c(C(=O)Cc2ccc(OC3CCCCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06778539
24110,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1cccc(OC)c1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.19955944
24111,COc1cc2c(cc1C1CCCCC1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6297309
24112,COc1cc2c(cc1C=NOc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72347486
24113,COc1cc2c(cc1CNC(=O)OCc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41906872
24114,COc1cc2c(cc1O)C1Cc3cccc(-c4ccn(C)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7139034
24115,COc1cc2c(cc1O)CCN1Cc3c(Br)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8656349
24116,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(C)(C)C)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8426817
24117,COc1cc2c(cc1OC)C1Cc3cccc(Cc4cccc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75695765
24118,COc1cc2c(cc1OC)C1Cc3cccc(NC(=O)COc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.23931016
24119,COc1ccc(OCCCCNC(=O)c2cc3ccccc3o2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.0558939
24120,COc1ccc(OCCN2CCCC(c3ccccc3)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5931299
24121,COc1ccc(OCCN2CCN(c3ccc(Cl)cc3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.81148225
24122,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28045398
24123,COc1ccc2cnc(O)cc2c1-c1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77314246
24124,COc1cccc(-c2cc3c(cc2C)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64670277
24125,COc1cccc(COc2cccc(-c3cccc4c3CN3CCc5cc(OC)c(O)cc5C3C4)c2)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5074244
24126,COc1ccccc1N1CCN(CCN2CCC(n3cc(Br)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8433901
24127,COc1ccccc1N1CCN(CCN2CCC(n3ccc(F)cc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8783603
24128,COc1ccccc1N1CCN(Oc2ccc(OCCF)cc2SC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.397016
24129,CS(=O)(=O)c1cc(OCCF)ccc1ON1CCC(Cc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3661379
24130,CSc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7919781
24131,Cc1cc(OCCN2CCC(NS(=O)(=O)c3ccc(F)c(F)c3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6254019
24132,Cc1cc(OCCN2CCCC(Cc3ccc(F)cc3)C2)ccc1OC=O,[*]CCOc1ccc(O[*])c([*])c1,0.40948966
24133,Cc1cc(OCCNC(=O)CCc2ccc3c(c2)OC(=O)CC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.06424378
24134,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)CCN(C)C3)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.12199298
24135,Cc1cc(OCCNS(C)(=O)=O)ccc1OCN1CCC(c2ccc(OC(C)C)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.37855572
24136,Cc1cc(OCCNS(C)(=O)=O)ccc1ONCCc1ccc2c(c1)OC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.14949502
24137,Cc1cc(OCCNS(C)(=O)=O)ccc1ONCc1ccsc1,[*]CCOc1ccc(O[*])c([*])c1,0.06531595
24138,Cc1ccc(OC2CCN(CCCOc3ccc(OS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.4984542
24139,Cc1ccc(OC2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.57527494
24140,Cc1cccc2c1CN1CCc3cc(CO)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64999163
24141,Cc1cccc2c1CN1CCc3cc(NOCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48874742
24142,ClCCCN1CCN(Cc2cccc(-c3nc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6237861
24143,Clc1cccc(CN2CCN(CCCC3=CCc4ccccc4N3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7787939
24144,Clc1cccc(CN2CCN(CCCC3CCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7812528
24145,FC(F)(F)C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.89791304
24146,N#Cc1ccc(OCc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78699404
24147,O=C(NCCN1CCN(Cl)CC1)c1ccc(O)c(-c2cccc(Cl)c2Cl)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.34244883
24148,O=C(Nc1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1)C1Cc2ccccc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4186373
24149,Oc1cc2ccccc2n1-c1ccccc1N1CCN(CCN2CCC(Br)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71959203
24150,Oc1cccc2c1CN1CCc3cc(Cc4ccccc4)c(Br)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71878445
24151,Oc1ccccc1N1CCN(CCN2CCC(c3cccc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76172775
24152,CCCOc1ccc(OC=O)c(CN2CCC(O)(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.57071716
24153,CCCOc1ccc(OCN)c(CN2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.70459086
24154,CCCOc1ccc(ON(C)Cc2ccccc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10539018
24155,CCCOc1ccc(OOC)c(CNC(=O)c2ccccc2N2CCN(C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.358411
24156,CCCOc1ccc(OS(C)(=O)=O)c(CC(COc2ccc3c(c2)NC(=O)CC3)OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27624747
24157,CCCOc1ccc(OS(C)(=O)=O)c(CCCc2ccc3c(c2)CCCC(=O)C3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23810177
24158,CCCOc1ccc(OS(C)(=O)=O)c(OC(C)Cc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25340065
24159,CCOc1cccc(CN2CCN(CCCCNC(=O)c3cc4ccccc4s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5610997
24160,CCOc1ccccc1OCCCOc1ccc(OS(N)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08823661
24161,CCc1ccccc1N1CCN(CCN2CCC(c3cc(C)ccc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6415537
24162,COC1CCN(CCN2CCN(c3ccccc3-c3cc(-c4ccccc4)on3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67821383
24163,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccc4ccncc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.53167266
24164,COCCCN1CCN(Cc2cccc(Cn3ccc4ccccc4c3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4719026
24165,COCCCN1CCN(Cc2cccc(S(=O)c3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4659549
24166,CON1CCN(CCNC(=O)c2ccc(-c3ccc(Cl)cc3)c([N+](=O)[O-])c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.24896188
24167,CON1CCN(CCNC(=O)c2ccc(O)c(-c3ccccc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.41539475
24168,COc1cc2c(cc1-c1cccc(C#N)c1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60964465
24169,COc1cc2c(cc1-c1cccc(C#N)c1)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.602828
24170,COc1cc2c(cc1Cc1cccc(Cl)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65096813
24171,COc1cc2c(cc1Cc1ccccc1)CCN1Cc3c(C=O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72030437
24172,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(COC(F)(F)F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7172641
24173,COc1cc2c(cc1O)C1Cc3cccc(C(=O)Nc4ccccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.37133813
24174,COc1cc2c(cc1O)C1Cc3cccc(C(=O)OCc4ccc(F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58978295
24175,COc1cc2c(cc1O)C1Cc3cccc([N+](=O)C(C)c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58116865
24176,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)NCc4ccc(C[N+](=O)[O-])cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35919172
24177,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)Nc4nccc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.31865218
24178,COc1cc2c(cc1OC)C1Cc3cccc(C(O)c4ccc(Cl)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71129626
24179,COc1ccc(COc2cc3c(cc2Cl)CCN2Cc4c(C)cccc4CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5619471
24180,COc1ccc(OCCC=O)cc1NC(=O)CCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.011342762
24181,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(Oc2ccc(CC3CCC(=O)NC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24232167
24182,COc1ccc(OCCNC2CCC(c3ccc(F)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.2553374
24183,COc1ccc(OCCS(C)(=O)=O)cc1CCCc1ccc(C2CCCCN2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.18853919
24184,COc1ccc(OCCS(C)(=O)=O)cc1CCCn1ccc(-c2ccccc2)c1C,[*]CCOc1ccc(O[*])c([*])c1,0.10123573
24185,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(Cc2cccnc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.20493065
24186,COc1cccc(-c2cccc(C3CCN(CCN4CCN(c5ccccc5OC)CC4)CC3)c2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.89007694
24187,COc1cccc(CN2CCN(CCCN3CCc4ccccc4C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.81328773
24188,COc1cccc(CN2CCN(CCCn3c(=O)n(-c4ccccc4)c(=O)c4ccc(C)cc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4904559
24189,COc1cccc(CNCc2cccc3c2CN2CCc4cc(CO)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55615324
24190,COc1cccc(Cc2ccccc2N2CCN(CCN3CCC(C)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70407873
24191,COc1cccc2c1CN1CCc3cc(CNc4cccc(C)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51923966
24192,COc1ccccc1N1CCN(CCN2CCC(CNc3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8389109
24193,COc1ccccc1N1CCN(c2cc(OCCOC(C)=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20800923
24194,CSOc1ccc(OCCNC2CCC(OCc3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.18073994
24195,Cc1cc(OCCCN2CCCC(Oc3ccc(CC4CCCCC4)cc3)C2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.4464108
24196,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC(C)C4)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.56412303
24197,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)CCCC3)ccc1ON(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.025695829
24198,Cc1cc(OCCNC(=O)Cc2ccccc2)ccc1ON1CC(O)CN1,[*]CCOc1ccc(O[*])c([*])c1,0.0356754
24199,Cc1ccccc1-c1cc(C(=O)NCCN2CCN(C)CC2)ccc1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29919645
24200,Nc1cccc(CN2CCN(CCCCNC(=O)c3ccc4ccccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.738877
24201,O=C1C=C(c2ccccc2)C(=O)N1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61570364
24202,OC(c1ccccc1)C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81097364
24203,c1ccc(-c2cccc(CN3CCN(CCCN4CCCCC4)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65516084
24204,C=CCc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8412847
24205,CC1Cc2ccccc2N1C(=O)CCCN1CCN(Cc2cccc(S(C)(=O)=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.637623
24206,CCCOc1ccc(OC)c(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4384453
24207,CCCOc1ccc(OCN2CCN(c3ccccc3OC)CC2)c(SC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7472391
24208,CCCOc1ccc(ON2CCN(C(=O)OC)CC2)c(Cc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.059943985
24209,CCCOc1ccc(ONS(C)(=O)=O)c(NC(=O)COc2ccc(CCF)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.005761518
24210,CCCOc1ccc(OS(C)(=O)=O)c(C(CCC2CCC2Cc2ccc3c(c2)CCC3)OC(F)(F)F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30126435
24211,CCCOc1ccc(OS(C)(=O)=O)c(C(O)CCc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19242458
24212,CCCOc1ccc(OS(C)(=O)=O)c(CC(=O)Nc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0072926283
24213,CCOc1cc(C)ccc1OCCCOc1ccc(OOS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.085829124
24214,CNC(=O)CCOc1ccc(ON2CCC(c3ccccc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09192216
24215,COC(=O)Nc1ccc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.37801415
24216,COCCCN1CCN(Cc2cccc(-c3ccc(SC)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5619632
24217,COCCOc1ccc(OC)c(CN2CCN(C(C)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.41306967
24218,COCc1cccc(Cc2cc3c(cc2OC)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6924295
24219,COc1cc2c(cc1C)CCN1Cc3c(cccc3-c3ccc(C#N)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65802616
24220,COc1cc2c(cc1OC)C1Cc3cccc(-c4cccc(OC(C)C)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4706762
24221,COc1ccc(C(=O)NCCN2CCN(c3cc(C)ccc3C)CC2)cc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.49801898
24222,COc1ccc(OCCCN2CCN(C=O)C2)cc1Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.3882577
24223,COc1ccc(OCCF)cc1CN1CCC(NS(=O)(=O)c2ccccc2C(F)(F)F)C1,[*]CCOc1ccc(O[*])c([*])c1,0.5674087
24224,COc1ccc(OCCN2CCC(C(=O)c3ccccc3)CC2)cc1NC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.38196716
24225,COc1ccc(OCCN2CCC(COc3ccc4c(c3)NC(=O)CC4)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.6649897
24226,COc1ccc(OCCN2CCC(F)CC2)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.60543674
24227,COc1ccc(OCCN2CCCC(c3ccc(Cl)cc3)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5178079
24228,COc1ccc(OCCN=S(C)O)cc1N1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.30483904
24229,COc1ccc(OCCNC(=O)c2ccc3ccccc3c2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.026551154
24230,COc1ccc(OCCS(C)(=O)=O)cc1CC(=O)Cc1ccc2c(c1)C(=O)CCC2,[*]CCOc1ccc(O[*])c([*])c1,0.09776123
24231,COc1ccc(OCCS(C)(=O)=O)cc1NCc1ccc(Cl)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06536856
24232,COc1ccc(OCCS(C)(=O)=O)cc1OC1CCCc2ccc(CC3CCCCC3)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.2721346
24233,COc1ccc2c(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)cc(O)nc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6519733
24234,COc1cccc(CN2CCN(CCCc3cccc4cc[nH]c34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64527696
24235,COc1cccc(Oc2cccc3c2CN2CCc4cc(C)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7204427
24236,COc1cccc2c1CN1CCc3cc(Oc4cccc(CO)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.646261
24237,COc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3ccc(O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8183187
24238,COc1ccccc1N1CCN(COc2ccc(OCCC(C)=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.570359
24239,CSC1CCN(CCN2CCN(c3ccccc3-n3ccc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6315301
24240,Cc1cc(OCCCCCc2ccccc2)ccc1OCN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.27612883
24241,Cc1cc(OCCF)ccc1ONCC1CCN(S(C)(=O)=O)c2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.23462152
24242,Cc1cc(OCCN2CCC(NS(=O)(=O)c3cccc(C(C)C)c3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6782623
24243,Cc1cc(OCCNC(=O)Cc2ccccc2)ccc1ON=CN1CCC(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.058012735
24244,Cc1cc(OCCNCCc2ccc3c(c2)C(=O)CC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.16557416
24245,Cc1cccc(-c2cc(C(=O)NCCN3CCN(Cl)CC3)ccc2Cl)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2667228
24246,Cc1ccccc1-c1cccc2c1CN1CCc3cc(O)c(CO)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4939538
24247,Cc1ccn(CCCCN2CCN(Cc3cccc(Cl)c3)CC2)c(=O)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63422656
24248,Fc1ccccc1N1CCN(CCN2CCC(n3cccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7224998
24249,Nc1cccc2c1CN1CCc3cc(-c4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7023366
24250,O=C(NCCCCN1CCN(Cc2cccc(Cl)c2)CC1)C1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6394767
24251,O=C(OCc1ccccc1)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4556753
24252,O=[N+]([O-])C1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6405763
24253,O=c1sc2ccccc2n1Cc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61504096
24254,OCCc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7692521
24255,Oc1cc2c(cc1O)C1Cc3cccc(C(O)c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6574828
24256,C=S(O)(O)=Nc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6960741
24257,CC(C)C1CCN(CCN2CCN(c3ccccc3-n3ccnc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73249227
24258,CC(C)c1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccc(F)cc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6605127
24259,CCC(=O)Nc1cc2c(cc1O)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.24727514
24260,CCCOc1ccc(ON=S(C)(=O)O)c(-c2ccc(CCC)nc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06631856
24261,CCCOc1ccc(ONS(C)(=O)=O)c(CCC2CCc3ccccc3C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21133044
24262,CCCOc1ccc(OOC)c(N2CCC(c3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.41111955
24263,CCOc1ccccc1C1CCN(CCOc2ccc(OS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.627383
24264,CCSc1ccc(C(=O)Nc2cc(OCCF)ccc2OC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.028935451
24265,CN(C)c1ccc(C(=O)c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6371682
24266,CNC(=O)CCOc1ccc(ON2CC=C(c3ccccc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06619088
24267,COC1CCN(CCN2CCN(c3ccccc3[SH](O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7251318
24268,COCCCN1CCN(Cc2cccc(CNS(=O)(=O)c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4493474
24269,COCCOc1ccc(OCN2CCN(c3cccc(C)n3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.45757157
24270,COCCOc1ccc(ON2CCC(CCc3ccccc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37488526
24271,CON1CCN(CCNC(=O)c2ccc(Cl)c(-c3cccc(C#N)c3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33991542
24272,COc1cc(CO)ccc1-c1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7965979
24273,COc1cc2c(cc1O)C1Cc3cccc(-c4cc5ccccc5[nH]4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71393096
24274,COc1cc2c(cc1O)C1Cc3cccc(C(COc4ccccc4)N4CCCCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5513304
24275,COc1cc2c(cc1O)C1Cc3cccc(Cc4cccc(OC)c4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79326206
24276,COc1cc2c(cc1O)C1Cc3cccc(Oc4cccc(OC)c4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.83478343
24277,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cccnc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6277171
24278,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)NCc3ccc(F)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52048326
24279,COc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cn1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5985789
24280,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccc2ccccc2c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.37138218
24281,COc1ccc(OCCC(C)=O)cc1CC(=O)Nc1ccccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.005601295
24282,COc1ccc(OCCC=O)cc1-c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.09015509
24283,COc1ccc(OCCF)cc1S(=O)(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.102636956
24284,COc1ccc(OCCN2CCC(c3ccccc3OC3CCCC3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.59691477
24285,COc1ccc(OCCS(C)(=O)=O)cc1CCCc1ccccc1OC1CCNC1,[*]CCOc1ccc(O[*])c([*])c1,0.32659936
24286,COc1ccc(OCCS(C)(=O)=O)cc1CN1CCC(Cc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4967098
24287,COc1cccc(CN2CCN(CCCC3Cc4ccccc4NC3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49907297
24288,COc1cccc(CN2CCN(CCCNS(=O)(=O)c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46176475
24289,COc1ccccc1C(=O)NCC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7534305
24290,COc1ccccc1N1CCN(CCN2CCC(c3nc4cccccc-4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7878494
24291,COc1ccccc1N1CCN(CCN2CCC(c3nccc(N)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8128058
24292,COc1ccccc1N1CCN(CCN2CCC(n3cc(C(F)(F)F)nc3C(C)=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7381234
24293,CSOc1ccc(OCCNCc2cc3ccccc3cn2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.16984306
24294,Cc1cc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.6656215
24295,Cc1cc(OCCN2CCCCC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.28601986
24296,Cc1cc(OCCNC(=O)C2CCCN2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06706604
24297,Cc1cc(OCCNC(=O)Cc2ccc(F)nc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.014384834
24298,Cc1cc(OCCS(C)(=O)=O)ccc1ONCCC1COC2=CC=C(C3CCC(=O)N3)CCCC1=C2,[*]CCOc1ccc(O[*])c([*])c1,0.11541999
24299,Cc1ccc(C)c(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6673829
24300,Cc1cccc2c1CN1CCc3cc(Cc4ccc(-c5ccccc5)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55738425
24301,Clc1cccc(CN2CCN(CCCc3cccc(-c4cc5ccccc5o4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7279601
24302,N#Cc1ccc(NC(=O)c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3384228
24303,O=C(Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)C1CCC1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41857818
24304,O=C(Nc1ccccc1Cl)Oc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3511347
24305,O=S1(=O)CCc2ccccc2N1c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7854707
24306,Oc1cc2c(cc1-c1cccc(OC(F)(F)F)c1)CCN1Cc3c(Br)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62139845
24307,Oc1cccc2c1CN1CCc3cc(-c4ccnc5ccccc45)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5657882
24308,C=CCOCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72085434
24309,CC(=O)c1ccc(CN2CCC(C(=O)NOc3ccc(OCCF)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.29492012
24310,CCCCc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7073507
24311,CCCOc1ccc(OOC(C)=O)c(CNc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.029669996
24312,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(CCc3ccc4c(c3)CCCC(=O)N4)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3061665
24313,CCNc1ccccc1NC(=O)c1cc(OCCOC)ccc1OCF,[*]CCOc1ccc(O[*])c([*])c1,0.017291676
24314,CCOC(=O)CCCOc1ccc(ON2CCC(Cc3ccc(F)cc3)CC2)c(OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.093888834
24315,CCOC1CCN(CCN2CCN(c3ccccc3Oc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8719394
24316,CCOc1ccc(-c2cc3c(cc2OC)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68754196
24317,CCc1ccc(COc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.708278
24318,CN1CCN(CCNC(=O)c2ccc(Br)c(-c3ccccc3C#N)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33097237
24319,COC(=O)OCc1cccc(-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42627215
24320,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4ncccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82132983
24321,COCCCN1CCN(Cc2cccc(CC=NC(=O)c3ccc(-c4ccccc4)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5191073
24322,COCCCN1CCN(Cc2cccc(CN3C=C(c4ccccc4)C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5925587
24323,COCCCN1CCN(Cc2cccc(N3C(=O)Cc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7132414
24324,COCCOc1ccc(OC)c(N2CCN(c3ccccc3F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3527005
24325,COc1cc(C(=O)NCCN2CCN(Oc3ccccc3)CC2)ccc1S(C)(=O)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.36385164
24326,COc1cc2c(cc1C)CCN1Cc3c(cccc3C(=O)Nc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.2946149
24327,COc1cc2c(cc1CN)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8611899
24328,COc1cc2c(cc1O)CCN1Cc3c(CNC(C)c4cc(C#N)cc5ccccc45)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5755553
24329,COc1ccc(N2CCN(CCNC(=O)c3ccc(OC)c(OC)c3)CC2)c(OC)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.62996423
24330,COc1ccc(OCCC(C)C)cc1NS(=O)(=O)c1ccccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.08248581
24331,COc1ccc(OCCC(N)=O)cc1CCCC(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.116415866
24332,COc1ccc(OCCCOS(C)(=O)=O)cc1N1CCC(NS(=O)(=O)c2ccccc2C#N)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.26897064
24333,COc1ccc(OCCN2CCc3ccccc3C2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.63981324
24334,COc1ccc(OCCN=S(C)(=O)O)cc1OCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.17946047
24335,COc1ccc(OCCNC(=O)c2ccc(SC)cc2)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.026064623
24336,COc1ccc(OCCNC(C)=O)cc1NCCCc1cccs1,[*]CCOc1ccc(O[*])c([*])c1,0.03630108
24337,COc1ccc(OCCNS(=O)(=O)c2cc(F)ccc2C(C)=O)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.02363602
24338,COc1ccc(OCCS(C)(=O)=O)cc1NC(=O)COc1ccc2c(c1)CCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.039789844
24339,COc1ccc(OCC[SH](C)(=O)O)cc1N1CCC(Oc2ccc(CC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24871661
24340,COc1cccc(C(=O)Nc2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35057428
24341,COc1cccc(CN2CCN(CCCC3OCOc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5497344
24342,COc1cccc(Oc2cccc(-c3cccc4c3CN3CCc5cc(OC)c(OC)cc5C3C4)c2)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.570672
24343,COc1cccc2c1CN1CCc3cc(CCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7576326
24344,COc1ccccc1C1=CCN(CCOc2ccc(OS(=O)(=O)O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.38907588
24345,COc1ccccc1N1CCN(Oc2ccc(OCC[N+](=O)[O-])cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.43283626
24346,CSOc1ccc(OCCN2CCC(NS(=O)(=O)c3cc(F)ccc3F)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.62854916
24347,Cc1cc(OCCNCC2Cc3ccccc3CO2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2008958
24348,Cc1cc(OCCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.041888546
24349,Cc1cc(OCCOS(C)(=O)=O)ccc1OC(=O)COc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.025303293
24350,Cc1ccc(C(=O)NCCOc2ccc(OCN3CCC(C)CC3)c(OS(C)(=O)=O)c2)s1,[*]CCOc1ccc(O[*])c([*])c1,0.14077014
24351,Cc1ccccc1N1CCN(CCN2CCC(C(=O)NCc3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6074644
24352,ClCCCN1CCN(Cc2cccc(-c3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.73883927
24353,FC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccccn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7442659
24354,N#Cc1ccc(O)c(-c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6499755
24355,O=c1ccc(C(F)(F)F)cn1-c1ccccc1N1CCN(CCN2CCC(C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6759121
24356,Oc1cnc(C2CCN(CCN3CCN(c4ccccc4-c4ncccn4)CC3)CC2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.696148
24357,CC(=O)NCCc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43929744
24358,CCCCN1CCN(Cc2cccc(-c3cc4ccccc4cc3O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5952623
24359,CCCOc1ccc(OC)c(CN2CCC(S(=O)(=O)c3cccc(Cl)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.524778
24360,CCCOc1ccc(OC)c(CN2CCC(c3ccccc3NC=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35405543
24361,CCCOc1ccc(OCN2CCN(c3ccc(Cl)cc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6291649
24362,CCCOc1ccc(OS(C)(=O)=O)c(CCN2CCC(c3ccc(OC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7021403
24363,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3c(C)c(=O)oc4ccccc34)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15911648
24364,CCCOc1ccc(OSC)c(CCCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.086928755
24365,CCN(Cc1ccccc1)C(=O)C1CCN(CCN2CCN(c3ccccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82063514
24366,CCOC(=O)c1cccc(N2CCN(Oc3ccc(OCCOC)cc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07181663
24367,CCOc1ccccc1OCCCOc1ccc(OS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07702131
24368,CCSc1ccc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72850823
24369,CN(C)C(=O)c1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50426614
24370,CN(C)Cc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7098938
24371,COC(=O)c1cccc2c1CN1CCc3cc(O)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48549566
24372,COC1CCN(CCN2CCN(c3ccccc3COc3ccc4ccc(F)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68322307
24373,COCCCN1CCN(Cc2cccc(N3CCN(c4cccc(Cl)c4)C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5539707
24374,CONCCCOc1ccc(OF)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08472505
24375,COOc1ccc(OCCCN2CCN(c3cc(F)ccc3OC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.7155545
24376,COc1cc2c(cc1NC(OC)c1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61451924
24377,COc1cc2c(cc1O)C1Cc3cccc(-c4cc(C#N)ccc4CO)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62969214
24378,COc1cc2c(cc1O)CCN1Cc3c(Cc4c[nH]c5ccccc45)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75843865
24379,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(C#N)cc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.716321
24380,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)OCc3cccc(C(F)(F)F)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53416485
24381,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)c3cc(C#N)cc4ccccc34)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55719775
24382,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3ccc[nH]3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78731245
24383,COc1cc2c(cc1OC)C1Cc3cccc(CCF)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.879986
24384,COc1ccc(CNCOc2ccc(OCCS(C)(=O)=O)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.0713092
24385,COc1ccc(Cc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72630495
24386,COc1ccc(OCCCF)cc1N(C)S(=O)(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.13781478
24387,COc1ccc(OCCN2CCC(Oc3ccc(C(C)=O)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.438571
24388,COc1ccc(OCCN2CCC(Oc3ccc(CC4CCCCC4)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5617166
24389,COc1ccc(OCCN2CCC(c3ccccc3OC3CC3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.75410295
24390,COc1ccc(OCCN2CCCC(C)Oc3ccccc3C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4575531
24391,COc1ccc(OCCNC(=O)CCc2ccccc2)cc1NS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.022644728
24392,COc1ccc(OCCNS(C)(=O)=O)cc1CCOc1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07791348
24393,COc1ccc(OCCS(C)(=O)=NO)cc1N1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19225161
24394,COc1ccc(OCCS(C)(=O)=O)cc1N1CC=C(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.379647
24395,COc1cccc(CN2CCN(CCCCNC(=O)C3c4ccccc4-c4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6019828
24396,COc1cccc(OC)c1-c1ccc(C(=O)NCCN2CCN(OC)CC2)cc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.24854535
24397,COc1ccccc1N1CCN(CCN2CCC(Cc3cc4ccccn4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8464554
24398,COc1ccccc1NC(=O)CCOc1ccc(ON2CCCCC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.018781733
24399,CSc1ccccc1OCC(=O)NCCOc1ccc(ON=S(C)(=O)O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.006203953
24400,Cc1cc(OCCN2CCC(OCc3ccc(F)cc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.63689744
24401,Cc1cc(OCCN2CCC(c3ccc(OC4CCCCC4)cc3)CC2)ccc1ON=S(N)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.47665545
24402,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(CCc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31917349
24403,Cc1ccc(C)c(C(=O)c2cccc(CN3CCN(CCCCl)CC3)c2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.50988525
24404,N#Cc1cccc(NCc2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5191894
24405,Nc1ccc(Cc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65954417
24406,O=C(Nc1ccccc1N1CCN(CCN2CCC(O)CC2)CC1)c1ccc(F)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4580918
24407,O=C(c1cccnc1)C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7745162
24408,O=S(=O)(c1cccc(CN2CCN(CCCCl)CC2)c1)c1cccc2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4957073
24409,O=[N+]([O-])c1cccc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44003585
24410,CC1Cc2c(cccc2Oc2cccc(CN3CCN(CCCCl)CC3)c2)NC1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55875957
24411,CCCOc1ccc(OCCOc2ccccc2CCC)c(OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14549671
24412,CCCOc1ccc(ON2CCC(C(=O)c3ccccc3C)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12357789
24413,CCCOc1ccc(ON2CCN(c3cccc(Cl)c3)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31188965
24414,CCCOc1ccc(OOC)c(N2CCN(c3ccc(OC)c(C(C)C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27686536
24415,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3ccc(C(C)C)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26194727
24416,CCCc1ccc(C2CCN(Oc3ccc(OCCS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.24431127
24417,CCc1ccc(OC2CCN(CCOc3ccc(OC)c(SC)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.58795255
24418,COC1CCN(CCN2CCN(c3ccccc3-c3ncc(Br)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8077293
24419,COC=Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64966697
24420,COCCOc1ccc(OC)c(NC(=O)c2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07101706
24421,COCCOc1ccc(ON2CCC(Nc3ccc(F)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24206345
24422,COOc1ccc(OCCCCN2CCN(c3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.7789216
24423,COOc1ccc(OCCN2CCC(Oc3ccc(Cl)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5048158
24424,COc1cc2c(cc1-c1cccc(CC#N)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6783288
24425,COc1cc2c(cc1Cc1cccc3[nH]ccc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7902367
24426,COc1cc2c(cc1O)C1Cc3cccc(Cc4c[nH]c5ccc(C(=O)O)cc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5273687
24427,COc1cc2c(cc1O)C1Cc3cccc(Cc4c[nH]c5cccc(CO)c45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72220105
24428,COc1cc2c(cc1O)CCN1Cc3c(COCc4ccc[nH]4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.80677116
24429,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7756995
24430,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)OC(C)(C)C)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6341695
24431,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCCc3ccc(N(C)C)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7506769
24432,COc1cc2c(cc1OC)C1Cc3cccc(N4CCCC4=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5499105
24433,COc1cc2c(cc1OC)C1Cc3cccc(N4CCN(Cc5cccc([N+](=O)[O-])c5)CC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48748067
24434,COc1cc2c(cc1[N+](O)=Cc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.775503
24435,COc1ccc(-c2cccc(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)n2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76899165
24436,COc1ccc(C)cc1S(=O)(=O)NOc1ccc(OCCF)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.050563373
24437,COc1ccc(OCCF)cc1NS(=O)(=O)c1ccccc1C=O,[*]CCOc1ccc(O[*])c([*])c1,0.08281133
24438,COc1ccc(OCCN2C(=O)CCc3ccc(OCC4CCC4)cc32)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.2772519
24439,COc1ccc(OCCN2CCN(CCc3ccccc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.6410587
24440,COc1ccc(OCCN=S(C)(=O)O)cc1CC1CCc2ccc(F)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.31817386
24441,COc1ccc(OCCNC(=O)Cc2ccc3cccc(C)c3c2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.014650148
24442,COc1ccc(OCCNC2CCC(OC(C)=O)CC2)cc1NS(=O)(=O)c1ccc(Cl)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.0750913
24443,COc1ccc(OCCNS(=O)(=O)c2ccc(F)cc2)cc1C(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.027795227
24444,COc1ccc(OCCS(C)(=O)=O)cc1CN1CCC(F)(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.41509834
24445,COc1ccc(OCCS(N)(=O)=O)cc1N1CCCC(CCc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.30892316
24446,COc1cccc(CN2CCN(CCCc3cccc(-c4ccco4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54251635
24447,COc1cccc(CNCCOc2ccc(ON)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16628787
24448,COc1cccc2c1CN1CCc3cc(C(=O)NCc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44484103
24449,COc1cccc2c1CN1CCc3cc(CO)c(-c4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6679756
24450,CS(=O)(=O)c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6868427
24451,CSOc1ccc(OCCN2CCCC(Cc3ccc4c(c3)NC(=O)CCS4)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.43177885
24452,C[N+]([O-])=Cc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64484376
24453,Cc1cc(OCCN2CCC(F)([SH](=O)(F)F)C(c3ccccc3OCCF)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3848206
24454,Cc1cc(OCCN2CCC(O)(c3ccc(F)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.46282643
24455,Cc1cc(OCCNCCc2ccc3c(c2)CCCC(=O)N3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.10958297
24456,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCCC(c2ccc(OCCF)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.20473747
24457,Cc1cc2c(cc1O)C1Cc3cccc(C(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72712284
24458,O=C(NCCCCN1CCN(Cc2cccc(CF)c2)CC1)c1cc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7133234
24459,O=C1c2ccc(CCCCN3CCN(Cc4cccc(F)c4)CC3)cc2C(=O)N1c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68388844
24460,O=c1ccc2ccccc2n1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5935726
24461,Oc1nc2ccccc2n1C1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7401856
24462,CC(=O)c1ccccc1N1CCN(CCN2CCC(NC(=O)Nc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5567489
24463,CC(C)c1ccccc1N1CCN(CCN2CCC(n3nc(-c4ccccc4)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6653059
24464,CCCOc1ccc(OC)c(CN2CCN(C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.50555944
24465,CCCOc1ccc(OCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C(N)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.41170105
24466,CCCOc1ccc(OCN2CCN(c3cccc(OCC(F)(F)F)c3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5447233
24467,CCCOc1ccc(OOC)c(N2CCC(Cc3ccc4c(c3)NC(=O)CCS4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32095468
24468,CCCOc1ccc(OS(C)(=O)=O)c(CN2CCCC(c3ccc(Cl)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3943924
24469,CCCOc1cccc2c1CN1CCc3cc(Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.699312
24470,CCOc1ccccc1N1CCCN(c2cc(OCCC(C)=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18165392
24471,CNOc1ccc(OCCN2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5736844
24472,COCCCN1CCN(Cc2cccc(-c3ccc4sccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57443243
24473,COCCCN1CCN(Cc2cccc(C3CCc4ccccc4O3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72217876
24474,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(CNC(C)=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4899721
24475,COc1cc2c(cc1O)C1Cc3cccc(NC(=O)Nc4ccccc4Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3908466
24476,COc1cc2c(cc1O)CCN1Cc3c(cccc3NC3CCCCC3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43483746
24477,COc1cc2c(cc1O)CCN1Cc3c(cccc3OC(=O)Nc3ccccc3C)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.2703874
24478,COc1cc2c(cc1OC(F)(F)F)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.85794634
24479,COc1cc2c(cc1OC)C1Cc3cccc(C=[N+](O)c4ccc(CO)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67338777
24480,COc1ccc(OC)c(Oc2cc3c(cc2OC)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7529974
24481,COc1ccc(OCCC(=O)COc2ccc(C)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.01859412
24482,COc1ccc(OCCC(O)CCc2ccc3c(c2)CCC(=O)C3)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.11824998
24483,COc1ccc(OCCCCCc2ccc3c(c2)CC(=O)CC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.23256464
24484,COc1ccc(OCCCS(=O)(=O)Cc2ccc(F)c(F)c2)cc1S(=O)(=O)Cc1ccc(SC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.12035064
24485,COc1ccc(OCCF)cc1N(C1CCC(Cc2ccc(F)cc2)CN1)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1926472
24486,COc1ccc(OCCN)cc1CN1CCCN(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7191677
24487,COc1ccc(OCCN2CCC(Cc3ccc(F)cc3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.61747366
24488,COc1ccc(OCCN=S(C)(=O)O)cc1NCc1ccc(OC2CCCCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.1076881
24489,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1S(=O)(=O)Cc1cccc(N=S(C)(=O)O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.044086993
24490,COc1ccc(OCCNC(C)=O)cc1CCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.16892453
24491,COc1cccc(CN2CCN(CCCc3cccc(-c4ccccc4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.663876
24492,COc1cccc(CNCc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5706394
24493,COc1cccc2c1CN1CCc3cc(CC4CCCCC4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5574574
24494,COc1cccc2c1CN1CCc3cc(N)c(CO)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63127106
24495,COc1cccc2ccc(-c3cccc(CN4CCN(CCCF)CC4)c3)cc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5420461
24496,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(O[O-])CC2)cc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.34661347
24497,COc1ccccc1N1CCN(COc2ccc(OCCCCF)cc2F)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.80880994
24498,COc1ccccc1N1CCN(Oc2ccc(OCCNC(C)C)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27268976
24499,COc1ccccc1NCc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44663405
24500,CSOc1ccc(OCCN2CC3C=CC=C(F)CC3C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.254616
24501,CSOc1ccc(OCCN2CCC(Oc3ccc4c(c3)NC(=O)CC4)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6298455
24502,Cc1cc(OCCF)ccc1ON1CCC(C(=O)c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.15274459
24503,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCCC(Cc2ccc(OC3CCCC3=O)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.17055391
24504,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCCC(Cc2ccc(S(N)(=O)=O)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.1627587
24505,Cc1ccc(C)c(C2(O)CCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38636574
24506,N#Cc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77158076
24507,O=C(NC1CCN(CCN2CCN(c3ccccc3F)CC2)CC1)c1ccc2ccccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6138924
24508,O=C(Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2)C1CCCC1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38125235
24509,O=C(Nc1cccs1)Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3819878
24510,O=C(O)c1cc2c(cc1Br)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59937155
24511,O=C(c1ccc2c(c1)C=CC=CN2)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3654303
24512,CC(O)c1cccc(CN2CCN(CCCC(=O)N3c4ccccc4CC3C)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63962567
24513,CC1CCN(CCN2CCN(c3ccccc3Oc3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8038285
24514,CCC(C)(C)NCc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6747748
24515,CCCCc1ccc(C(=O)O)cc1-c1cc(OCCC)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.03211894
24516,CCCOc1ccc(ONC(C)=O)c(-c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.02245854
24517,CCCOc1ccc(OOS(C)(=O)=O)c(NC(C)COc2ccc3c(c2)CCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17056224
24518,CCCOc1ccc(OS(N)(=O)=O)c(CC2CCc3ccc(CC4CCCCC4)cc3C2O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29856437
24519,CCCOc1ccc(OSC)c(N2CCC(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32377517
24520,CCCOc1ccc(O[SH]=O)c(NCCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.062827684
24521,CCOc1ccc(Cc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6835912
24522,CCOc1ccccc1N1CCN(CCN2CCC(c3ccc(F)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8214721
24523,CCOc1ccccc1N1CCN(CCN2CCC(n3ccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.86114675
24524,CN(C)C(=O)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59377337
24525,CON=Cc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.688715
24526,COc1cc2c(cc1C(=O)OCc1ccccc1)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45512772
24527,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)Nc3ccc(CO)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4073518
24528,COc1cc2c(cc1OC)C1Cc3cccc(CNC(=O)c4c[nH]c5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.423324
24529,COc1ccc(-c2cccs2)c(-c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7568091
24530,COc1ccc(C(=O)NCCN2CCN(c3cccc(C)c3C)CC2)cc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.7489701
24531,COc1ccc(OCCCS(C)(=O)=O)cc1NC(=O)COc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.021890828
24532,COc1ccc(OCCF)cc1S(=O)(=O)Nc1ccc(Cl)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.056672167
24533,COc1ccc(OCCN2CCC(Cc3ccc4occc4c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.45310238
24534,COc1ccc(OCCN2CCCC3(CC2)C(=O)CCN3C(C)=O)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.35189638
24535,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCC(Oc2ccc3c(c2)NC(=O)CCC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.38197213
24536,COc1ccc(OCCNCCc2cccc3ccccc23)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.18717942
24537,COc1ccc(OCCO)cc1N1CCC(c2ccccc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29809895
24538,COc1ccc(OCCS(C)(=O)=O)cc1C(C)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.07135496
24539,COc1ccc(OCCS(N)(=O)=O)cc1CSCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.084944196
24540,COc1cccc(CN2CCN(CCCC3CC(=O)Nc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5561674
24541,COc1cccc(CN2CCN(CCCc3ccc4c(c3)C(=O)N(c3ccccc3)C4=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6264446
24542,COc1ccccc1N1CCN(CCN2CCC(CNc3ccc(F)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.799586
24543,COc1ccccc1N1CCN(CCN2CCC(Cc3cc(O)nc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7542887
24544,COc1ccccc1N1CCN(CCN2CCC(Oc3ccc(N(C)C)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7873623
24545,COc1ccccc1N1CCN(CCN2CCC(n3ccc(C)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8599839
24546,COc1ccccc1N1CCN(CCNC(=O)c2ccc(C(C)=O)c(O)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.96162486
24547,COc1ccccc1N1CCN(CCNC(=O)c2ccc(Cl)c(C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.90002376
24548,CSc1ccc(CCNCCOc2ccc(ONS(C)(=O)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.13323164
24549,CSc1cccc(CN2CCN(CCCN3C(=O)C(=O)c4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6896984
24550,Cc1cc(OCCF)ccc1OCNCC1CCc2ccc(S(C)(=O)=O)cc2CC1,[*]CCOc1ccc(O[*])c([*])c1,0.17782211
24551,Cc1cc(OCCN=S(C)(=O)O)ccc1ONC(=O)Cc1ccc(C2CCCNC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.026824448
24552,Cc1cc(OCCNCCc2ccccc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.17968822
24553,Cc1cc(OCCNS(=O)(=O)c2ccccc2C(C)C)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.075417
24554,Cc1ccccc1N1CCN(CCN2CCC(n3c(-c4ccccc4)cnc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.60966676
24555,N#Cc1ccc2oc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)cc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7562664
24556,N#Cc1cccn1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72285426
24557,O=C(c1ccc(F)nn1)C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78515786
24558,O=S(=O)(CCCN1CCN(Cc2cccc(Cl)c2)CC1)C1CCCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.74218243
24559,O=S(=O)(c1cccc(CN2CCN(CCCF)CC2)c1)c1cccs1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56316936
24560,O=[N+]([O-])Oc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55383587
24561,OCCCN1CCN(Cc2cccc(-c3ccc4occc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65748614
24562,Oc1cccn1CCCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59629947
24563,Oc1ncc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7764344
24564,CC1Cc2ccccc2N1CCCN1CCN(Cc2cccc(OC(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5928838
24565,CCCOc1ccc(OCCOc2ccccc2NC)c(C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.087033235
24566,CCCOc1ccc(OCF)c(CN2CCC(c3ccccc3CC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5646462
24567,CCCOc1ccc(OCNc2ccccc2OCC)c(N)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08821538
24568,CCCOc1ccc(OF)c(C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06905553
24569,CCCOc1ccc(ON2CCC(c3ccccc3OCC)CC2)c(N)c1,[*]CCOc1ccc(O[*])c([*])c1,0.49112436
24570,CCCOc1ccc(ON2CCN(c3ccccc3OCCC)CC2)c(NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3965678
24571,CCCOc1ccc(OS(=O)(=O)C2CCCN2)c(NCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14578296
24572,CCCOc1ccc(OS(C)(=O)=O)c(OC2CCC(CNCc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11061175
24573,CCOCCCN1CCN(Cc2cccc(Nc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.43862265
24574,CCOc1cc2c(cc1C)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66840607
24575,CCOc1cccc(CN2CCN(CCCC(=O)c3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.480541
24576,CCOc1ccccc1N1CCN(CCN2CCC(c3ccon3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8344015
24577,CN1CCN(CCNC(=O)c2ccc(Cl)c(-c3cccc(Cl)c3Cl)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33442166
24578,CNc1ccc(-c2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5854715
24579,COC1CCN(CCN2CCN(c3ccccc3-c3nsc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7435566
24580,COC1CCN(CCN2CCN(c3ccccc3C=S(O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6677835
24581,COCCCN1CCN(Cc2cccc(-c3c(O)[nH]c4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5175451
24582,COCCCN1CCN(Cc2cccc(-c3c(O)oc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58527815
24583,COCCCN1CCN(Cc2cccc(-c3ccc(S(N)(=O)=O)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48717538
24584,COOc1ccc(OCCCCCc2ccc3ccccc3c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.10348542
24585,COc1cc2c(cc1-c1ccc(OCc3ccccc3)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6675096
24586,COc1cc2c(cc1-c1ccncc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7226829
24587,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(Br)cc4CO)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.700628
24588,COc1cc2c(cc1OC)C1Cc3cccc(-c4c(C)cccc4C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6908182
24589,COc1cc2c(cc1OCc1cccc(C)c1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68364257
24590,COc1ccc(Br)cc1C(=O)Nc1ccccc1N1CCN(CCN2CCC(C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.36896625
24591,COc1ccc(COCc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7753349
24592,COc1ccc(OCCC(=O)COc2ccc3c(c2)NCC(=O)CC3)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1326342
24593,COc1ccc(OCCC(F)CCc2ccccc2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.11565825
24594,COc1ccc(OCCCN2CCN(c3ccccc3OC)CC2)cc1NC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6016999
24595,COc1ccc(OCCF)cc1CN1CCC(c2cc(C(C)=O)ccc2NS(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.36294982
24596,COc1ccc(OCCN2CCC(Cc3ccc(F)cc3)C2)cc1N,[*]CCOc1ccc(O[*])c([*])c1,0.61035764
24597,COc1ccc(OCCN2CCC(NC(C)=O)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.47088233
24598,COc1ccc(OCCN2CCC(c3cc(-c4ccc(F)cc4)no3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.68602324
24599,COc1ccc(OCCN2CCN(Cc3cccc(SC)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5387604
24600,COc1ccc(OCCNS(C)(=O)=O)cc1NS(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07932548
24601,COc1ccc(OCCS(C)(=O)=O)cc1C(F)CCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.08800933
24602,COc1cccc(CN2CCN(CCCC(=O)N3Cc4ccccc4C3C)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60099214
24603,COc1cccc(CN2CCN(CCCN3C(=O)COc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6190221
24604,COc1cccc(COc2cc3c(cc2OC)CCN2Cc4c(O)cccc4CC32)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6499344
24605,COc1cccc(O)c1CNc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6708734
24606,Cc1cc(OCCCC(=O)COc2ccc3c(c2)NC(=O)CC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.13790227
24607,Cc1cc(OCCF)ccc1ON1CCC(S(=O)(=O)N2CCCCC2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.16258001
24608,Cc1cc(OCCN2CCC(CN3CCCCC3)C2=O)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.24663186
24609,Cc1cc(OCCN2CCN(Cc3cc(C(F)(F)F)ccc3F)CC2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.38150382
24610,Cc1cc(OCCN=S(C)(=O)O)ccc1ONCC(C)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.06350106
24611,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)NC(=O)CC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.037981436
24612,Cc1cc(OCCNCC2CCc3ccccc3C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.22961654
24613,FC(F)(F)CCCN1CCN(Cc2cccc(Cc3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6864521
24614,FC(F)Oc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64923495
24615,O=C(O)c1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61557376
24616,O=C(OCc1cccc(CN2CCN(CCCCl)CC2)c1)C1CCCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61000687
24617,O=C1CCc2ccc(OC(=O)c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)cc2N1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64315957
24618,O=C1c2ccccc2CN1Cc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7532459
24619,Oc1ccc2cc(OC3CCN(CCN4CCN(c5ccccc5O)CC4)CC3)ccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6572345
24620,CC(=O)Nc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.33657402
24621,CC(C)c1ccccc1N1CCN(CCN2CCC(CNC(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7450834
24622,CC1CCN(CCN2CCN(c3ccccc3-c3cccc4nc(O)ccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76019436
24623,CCCOc1ccc(OCN2CCN(c3ccccc3C(C)=O)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4894943
24624,CCCOc1ccc(ON2CCC(Nc3ccccc3OCC)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28864422
24625,CCCOc1ccc(ON2CCCC(CCc3ccccc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.430223
24626,CCCOc1ccc(OOS(C)(=O)=O)c(CCCc2ccc3c(c2)CCC(=O)N3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19768652
24627,CCCOc1ccc(OS(C)(=O)=O)c(C(O)Cc2ccc3c(c2)CC(C)(NCC)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21016018
24628,CCCOc1ccc(OS(C)(=O)=O)c(CC(=O)Cc2ccc3c(c2)CC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13927291
24629,CCCOc1ccc(OS(C)(=O)=O)c(CCN2CCC(c3ccc(CF)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6911862
24630,CCCOc1ccc(OS(C)(=O)=O)c(CSCc2cccc3c(CCCF)cccc23)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1220968
24631,CCCOc1ccc(OS(C)(=O)=O)c(Cc2ccccc2OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.110584125
24632,CCCOc1ccc(OS(C)(=O)=O)c(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30599606
24633,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)COc2ccc(CCF)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0060328776
24634,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38532877
24635,CCNCOc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68326074
24636,CCNOC=Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6236703
24637,CCOc1cc2c(cc1OC)C1Cc3cccc(C=Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71680456
24638,CN(C)c1ccc(Cc2cccc3c2CN2CCc4cc(Cl)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7014326
24639,COC(=O)c1cccc2c1CN1CCc3cc(-c4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4601679
24640,COC(=O)c1cccc2c1CN1CCc3cc(Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54237306
24641,COC1CCN(CCN2CCN(c3ccccc3-c3ccc4cc(C#N)ccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7097054
24642,CON1CCN(CCNC(=O)c2ccc(CO)c(-c3cccc(Cl)c3Cl)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3106683
24643,COOc1ccc(OCCCCOc2ccc(F)cc2)cc1CCN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.49150577
24644,COOc1ccc(OCCCN2CCC(C(=O)Nc3cccc(OC)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.2785697
24645,COOc1ccc(OCCN2CCN(c3ccccc3C(C)C)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.65701604
24646,COc1cc2c(cc1-c1cccc3cccc(CO)c13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72079444
24647,COc1cc2c(cc1NC(=O)c1cccc(Cl)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.33169785
24648,COc1cc2c(cc1O)C1Cc3cccc(-c4cccc(C[N+](=O)C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6360544
24649,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79072213
24650,COc1cc2c(cc1O)C1Cc3cccc(Cn4ccc(CO)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71604496
24651,COc1cc2c(cc1O)CCN1Cc3c(cccc3NC(C)(C)C)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54315287
24652,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc([N+](=O)[O-])cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5419465
24653,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(CC#N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71528465
24654,COc1ccc(OCCF)cc1NS(=O)(=O)Cc1ccc(S(C)(=O)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.03964521
24655,COc1ccc(OCCN(C)CCc2ccc3ccccc3c2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.18888558
24656,COc1ccc(OCCN2CCC(c3ccc(OC4CCCC4=O)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.49165484
24657,COc1ccc(OCCN=S(C)(=O)O)cc1NCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.17479296
24658,COc1ccc(OCCS(N)(=O)=O)cc1N1CCC(Oc2ccc(CC3CCCC3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.19456834
24659,COc1ccccc1CCNCCOc1ccc(ONS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1767234
24660,COc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3cc4ccccc4nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83867556
24661,CSOc1ccc(OCCNC2CCC3=C(CC2)SC=CC=C3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.19193166
24662,CSc1ccccc1N1CCN(CCN2CCC(Oc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75267714
24663,Cc1cc(OCCCS(=O)(=O)Cc2ccc(F)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.094348565
24664,Cc1cc(OCCN2CC=C(c3ccc(F)cc3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.5289417
24665,Cc1cc(OCCN2CCC(c3cccc(S(C)(=O)=O)c3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.70495844
24666,Clc1cccc(CN2CCN(CCCCNCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6660869
24667,FC(F)(F)c1cccc(OC2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7868474
24668,Fc1ccc(SCc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6624646
24669,N#CC1CCN(CCN2CCN(c3ccccc3Oc3ccc4ccc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83710754
24670,O=C(c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)C1CCc2ccc(O)cc2C1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65014344
24671,Oc1cc2c(cc1-c1ccccc1Cl)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66265434
24672,C#Cc1cccc2c1CN1CCc3cc(OC)c(C(=O)OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4298784
24673,CC(=O)c1ccccc1S(=O)(=O)NCCOc1ccc(ON2CCNCC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08430267
24674,CC(C)OC1CCN(CCN2CCN(c3ccccc3-n3cc(C(F)(F)F)nc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6522177
24675,CCCOc1ccc(OC(N)=O)c(NC(=O)Cc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.006587229
24676,CCCOc1ccc(OF)c(NCCc2ccc(OC3CCCCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14253075
24677,CCCOc1ccc(ON(C)C)c(N2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32663566
24678,CCCOc1ccc(ON(C)S(C)(=O)=O)c(N2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29569915
24679,CCCOc1ccc(ONC(=O)c2ccccc2OCC)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6701197
24680,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCCC2c2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30592248
24681,CCCc1ccc(C(=O)NCc2cc(OCCF)ccc2OOC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.025186926
24682,CCc1ccccc1N1CCN(CCN2CCC(c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.819477
24683,CNc1ccc(OC2CCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.43564478
24684,COC(=O)NCCc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47483122
24685,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(O)nc3-c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6833783
24686,COC1CCN(CCN2CCN(c3ccccc3Cc3ccc4cccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72235346
24687,COCCCN1CCN(Cc2cccc(-c3cccc(O)n3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6058896
24688,COCCOc1ccc(OCF)c(CN2CCCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.73803675
24689,COCCOc1ccc(Oc2ccccc2OCC(F)(F)F)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11950171
24690,COc1ccc(C(=O)NCCN2CCN([N+](=O)[O-])CC2)cc1-c1ccccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.22275758
24691,COc1ccc(C)cc1-c1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73635566
24692,COc1ccc(C2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)cc1OC,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8265986
24693,COc1ccc(OCCC(=O)Cc2cccs2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.01890099
24694,COc1ccc(OCCN2CCC(NC(=O)c3ccc(F)cc3)C2)cc1C(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.55317813
24695,COc1ccc(OCCN2CCC(Oc3ccc4c(c3)CCC(=O)NC4)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6343846
24696,COc1ccc(OCCN2CCC(Oc3ccccc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5750122
24697,COc1ccc(OCCN2CCC(c3ccccc3F)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6139279
24698,COc1ccc(OCCN2CCCC(C(=O)c3ccc(F)cc3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.518084
24699,COc1ccc(OCCN=S(C)(=O)O)cc1-c1cccc2nc(CCc3ccccc3)ccc12,[*]CCOc1ccc(O[*])c([*])c1,0.04490371
24700,COc1ccc(OCCNC(=O)c2ccccc2)cc1COCc1ccc(S(C)(=O)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.03264649
24701,COc1ccc(OCCNS(=O)(=O)c2cc(F)ccc2OC)cc1N1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.38625616
24702,COc1cccc(-c2cc(C(=O)NCCN3CCN(OC)CC3)ccc2O)c1[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.316997
24703,COc1cccc(-c2cc3c(cc2C)CCN2Cc4c(cccc4OC)CC32)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63709307
24704,COc1cccc(CN2CCN(CCCC3Nc4ccccc4-c4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.623578
24705,COc1cccc(Oc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.84736353
24706,COc1cccc2c1CN1CCc3cc(C)c(Cc4ccc[nH]4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6613556
24707,CSOc1ccc(OCCNC(=O)Cc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.06894056
24708,CSc1c(CC2CCN(CCOc3ccc(ON=S(C)(=O)O)c(C)c3)CC2)ccc2ccccc12,[*]CCOc1ccc(O[*])c([*])c1,0.51787764
24709,CSc1ccc(CN2CCC(OOc3ccc(OCCF)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.5121308
24710,Cc1cc(OCCC=Nc2cc(F)ccc2F)ccc1ON=S(C)(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1068888
24711,Cc1cc(OCCF)ccc1ON1CCC(COc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.33887762
24712,Cc1cc(OCCN2CCC(c3cccc(CO)c3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.62979054
24713,Cc1cc(OCCN2CCN(c3ccc(F)cc3)CC2)ccc1OC(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.57043713
24714,Cc1ccccc1-c1cc(C(=O)NCCN2CCN(Cl)CC2)ccc1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2765398
24715,ClC1CCN(CCN2CCN(c3ccccc3-c3cnc(-c4ccccc4)s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6850167
24716,ClC1CCN(CCN2CCN(c3ccccc3-c3nc4ccccc4[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82636315
24717,Clc1cccc(CN2CCN(CCCCNc3cccs3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69449776
24718,O=C(NC1CCC(c2cccc(CN3CCN(CCCCl)CC3)c2)CC1)C1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5206458
24719,Oc1cc2c(cc1O)C1Cc3cccc(-c4ccoc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65048546
24720,Oc1ccc2cc(OCc3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)ccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6749815
24721,Oc1nc2ccccc2cc1Cc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6989969
24722,C=CC(=O)Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.388047
24723,CC(=O)c1cccc(OC2CCN(CCOc3ccc(ON)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.48832467
24724,CC=N[N+](=O)c1cccc(-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60415775
24725,CCCNc1cc(OCCC)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.06748315
24726,CCCOc1ccc(OF)c(CN2CCN(C(C)c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.42343965
24727,CCCOc1ccc(ON2CCN(CC(=O)c3ccc(F)cc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23339507
24728,CCCOc1ccc(OOC)c(CNC(=O)c2ccccc2N2CCCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.114314824
24729,CCCOc1ccc(OS(C)(=O)=O)c(CCOc2ccc(CC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0953477
24730,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)Cc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.00700543
24731,CCCOc1ccc(OSC)c(CCNC(=O)c2ccc(CF)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.018156998
24732,CCCOc1ccc(O[N+](=O)[O-])c(N2CCN(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17952852
24733,CCOC1CCN(CCN2CCN(c3ccccc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80694157
24734,CCON(C)c1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79122114
24735,CNC(=O)c1ccc2cnc(CC3CCN(CCN4CCN(c5ccccc5OC)CC4)CC3)cc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77225286
24736,COC1CCN(CCN2CCN(c3ccccc3-n3c(O)nc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6950107
24737,COC1CCN(CCN2CCN(c3ccccc3Cc3cc4ccccc4[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76810694
24738,COC1CCN(CCN2CCN(c3ccccc3S(=O)(=O)c3cccc(C#N)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7166374
24739,COCCOc1ccc(OCNC(=O)c2cc3ccccc3o2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.025082327
24740,COOc1ccc(OCCCCc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.116236456
24741,COOc1ccc(OCCNc2ccccc2OCCF)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.05323271
24742,COc1cc(C(F)(F)F)ccc1N1CCN(CCOc2ccc(ONS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6276993
24743,COc1cc(C)ccc1-c1ccc(C(=O)NCCN2CCN(O)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.16812164
24744,COc1cc2c(cc1C(=O)Nc1c(Cl)cccc1Cl)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4693709
24745,COc1cc2c(cc1C=O)CCN1Cc3c(CO)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70442784
24746,COc1cc2c(cc1O)C1Cc3cccc(O[SH](C)(=O)c4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6640889
24747,COc1cc2c(cc1O)CCN1Cc3c(CCC=O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73737216
24748,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(OC(C)C)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7373099
24749,COc1ccc(OCCC(=O)COc2ccccc2)cc1SCNC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.023362884
24750,COc1ccc(OCCC(N)=O)cc1N1CCC(c2ccccc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.16953282
24751,COc1ccc(OCCCN2CCC(c3ccccc3F)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.7477744
24752,COc1ccc(OCCCl)cc1CCCc1cc(C2CCC(F)(F)CC2)no1,[*]CCOc1ccc(O[*])c([*])c1,0.20583288
24753,COc1ccc(OCCN2CCC(OCc3ccc(F)cc3)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.6226315
24754,COc1ccc(OCCN2CCC(c3nsc4ccccc34)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6721578
24755,COc1ccc(OCCN2Cc3ccccc3CC2C)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2734294
24756,COc1ccc(OCCNCC2CCC(CF)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08615174
24757,COc1ccc(OCCOC=O)cc1N1CCN(c2cccc(C(F)(F)F)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3311658
24758,COc1ccc(OCCSC)cc1NCCC(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.027106714
24759,COc1ccc(OCC[SH](C)(C)=O)cc1N1CCCC(CCc2ccc3c(c2)NC(=O)CC3=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2451249
24760,COc1ccc(Oc2cc3c(cc2OC)C2Cc4cccc(C)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7287736
24761,COc1ccccc1C(=O)NOc1ccc(OCCF)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.044855468
24762,Cc1cc(C(=O)NCCN2CCN(C)CC2)ccc1-c1ccccc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.23169433
24763,Cc1cc(OCCCCCc2ccc3c(c2)CC(=O)CC3)ccc1ON(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.17280288
24764,Cc1cc(OCCN2CC(Cc3ccc(F)cc3)CCO2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.15847756
24765,Cc1cc(OCCN2CCC(Cc3ccccc3)CC2)ccc1OOS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.5625361
24766,Cc1cc(OCCN2CCC(c3ccc(F)cc3)CC2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6796253
24767,Cc1cc(OCCN=S(C)(=O)O)ccc1OCCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.10910644
24768,Cc1cc(OCCN=S(C)(C)=O)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.04454557
24769,Cc1cc(OCCS(N)(=O)=O)ccc1OC(O)CCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.10574756
24770,Cc1cccc(-c2cccc3c2CN2CCc4cc(C)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6128594
24771,N#Cc1ccc(Cc2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78116125
24772,Oc1ccc2cc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)ccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75067496
24773,c1ccc(OCCCN2CCN(Cc3cccc(C4CCCCC4)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72512007
24774,CC(=O)c1ccc(S(=O)(=O)C2CCN(Oc3ccc(OCCF)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.119492985
24775,CC(C)Oc1ccccc1N1CCN(CCN2CCC(n3c(O)nc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7329164
24776,CCCOc1ccc(OCN2CCN(c3ccc(F)c(OC)c3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.530762
24777,CCCOc1ccc(ONS(C)(=O)=O)c(C(=O)COc2ccc(CCO)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.075056046
24778,CCCOc1ccc(OOC)c(N2CCC(C(=O)c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1756935
24779,CCCOc1ccc(OOC)c(N2CCC(c3cc(F)ccc3NC(C)=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15277736
24780,CCCOc1ccc(OS(C)(=O)=O)c(-c2cc(CCc3ccccc3)ccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11327013
24781,CCCOc1ccc(OS(C)(=O)=O)c(CCCc2ccc(C3CCN(C)CC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40854675
24782,CCCOc1ccc(OS(N)(=O)=O)c(N2CCCC(Cc3ccc(OC4CCC(=O)NC4)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.205378
24783,CCCOc1ccc(Oc2cccc(CCC)n2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11510091
24784,CCOC(=O)c1ccccc1N1CCN(CCN2CCC(n3ccc(C(F)(F)F)cc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5453082
24785,CCOc1ccccc1N1CCN(CCN2CCC(C(=O)Nc3cccc(Cl)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6019407
24786,CNC(=O)c1cc2c(cc1O)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.37041593
24787,COC1CCN(CCN2CCN(c3ccccc3-c3ccc4oc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6703028
24788,COC1CCN(CCN2CCN(c3ccccc3-c3ncccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7685713
24789,COC1CCN(CCN2CCN(c3ccccc3C(=O)NCc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7388891
24790,COCCOc1ccc(OC)c(N2CCC(c3ccccc3OC3CCCC3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.42720243
24791,CON1CCN(CCNC(=O)c2ccc(Br)c(-c3cccs3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33871442
24792,COc1cc2c(cc1O)C1Cc3cccc(OCCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7818856
24793,COc1cc2c(cc1OC)C1Cc3cccc(OCCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7802706
24794,COc1ccc(OCCCN2CCN(Cc3ccccc3)CC2)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5921671
24795,COc1ccc(OCCCNC(=O)c2ccccn2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.05020224
24796,COc1ccc(OCCN2CCC(C(=O)c3ccccc3OC)CC2)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6216116
24797,COc1ccc(OCCN2CCC(CC(=O)c3ccc(F)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.623427
24798,COc1ccc(OCCN2CCC(c3cccc(C(C)=O)c3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.59318924
24799,COc1ccc(OCCN2CCCC(C(=O)c3ccc(F)cc3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5545417
24800,COc1ccc(OCCN2CCCC2Cc2ccc(F)cc2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.34928438
24801,COc1ccc(OCCN=CS(=O)(=O)O)cc1N1CCC(c2ccccc2F)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22143322
24802,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(c2ccc3ccccc3c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24629292
24803,COc1ccc(OCCNCCc2ccccc2)cc1C(=O)C=O,[*]CCOc1ccc(O[*])c([*])c1,0.11451398
24804,COc1ccc(OCCNCc2cc3ccccc3o2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.2105995
24805,COc1ccc(OCCS(N)(=O)=O)cc1CN1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.46137825
24806,COc1ccc(OCCS(N)(=O)=O)cc1N1CCC(COc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.38062298
24807,COc1ccc(OCCSC(C)=O)cc1N1CCCC(CCc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.18373182
24808,COc1ccc(OCCSC)cc1N1CCN(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.75897294
24809,COc1ccc2c(c1)CC(CNc1ccccc1N1CCN(CCN3CCC(OC)CC3)CC1)O2,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4014073
24810,COc1cccc(CN2CCN(CCCC3OCCc4ccc(OC)cc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6702822
24811,COc1cccc(CN2CCN(CCCC3c4ccccc4C[SH]3(C)=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6895398
24812,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc4ncc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6817086
24813,CSOc1ccc(OCCNC(=O)COc2ccc3c(c2)NCCC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.065459184
24814,Cc1cc(OCCN2CCC(Cc3ccccc3)C2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.44923255
24815,Cc1cc(OCCN2CCC(O)(c3ccc(Cl)cc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5823424
24816,Cc1cc(OCCNCCC2CCc3ccccc3C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.26044905
24817,Cc1ccc2cc1NC(=O)CCC(CCCOc1ccc(ONS(C)(=O)=O)c(C)c1)CO2,[*]CCOc1ccc(O[*])c([*])c1,0.17528123
24818,Cc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3cc4ccccc4nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.63393444
24819,Cc1ccccc1N1CCN(CCN2CCC(c3nc(C(F)(F)F)cs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6746462
24820,Fc1ccc(-c2cc(CCCN3CCN(Cc4cccc(F)c4)CC3)on2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7054395
24821,O=C(OCc1cccc(CN2CCN(CCCCl)CC2)c1)C1CCCc2ccccc2C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5671611
24822,O=C(c1cc2ccccc2[nH]1)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49519607
24823,O=Cc1ccc(CCCN2CCN(Cc3cccc(Cl)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6698416
24824,O=c1ncccn1C1CCN(CCN2CCN(c3ccccc3OC(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84087473
24825,Oc1cc(Br)cn1C1CCN(CCN2CCN(c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69961214
24826,CC(C)(C)c1ccccc1N1CCN(CCN2CCC(c3ccc4ncccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8022079
24827,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3ccc(O)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8364043
24828,CC1(C)CCOC1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6222326
24829,CC1(c2cccc(CN3CCN(CCCCl)CC3)c2)Cc2ccccc2C1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5962931
24830,CCCN1CCN(CCc2cc(OCCS(C)(=O)=O)ccc2OC)C=C1C1C=CC=C1,[*]CCOc1ccc(O[*])c([*])c1,0.32969093
24831,CCCOc1ccc(OC)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.048678096
24832,CCCOc1ccc(OCN2CCC(c3cccc(OC)c3)CC2)c(NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.51285404
24833,CCCOc1ccc(ON2CCN(c3ccccc3OCC)CC2)c(OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33354157
24834,CCCOc1ccc(ON=S(=O)([O-])O)c(N2CCCC(COc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16671073
24835,CCCOc1ccc(OOC)c(N2CCC(C(=O)OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09691866
24836,CCCOc1ccc(OOC)c(N2CCCC(c3cccc(SC)c3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40363938
24837,CCCOc1ccc(OOC)c(N2CCN(c3cccc(Cl)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34941983
24838,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33405706
24839,CCCc1ccc(OCC(=O)c2cc(OCCS(C)(=O)=O)ccc2OC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.0766236
24840,CCOc1cc2c(cc1OC)C1Cc3cccc(C(=O)OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43071392
24841,CCOc1cccc(CN2CCN(CCCCc3cccc4ccccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61274827
24842,CCOc1ccccc1N1CCN(CCN2CCC(n3cnc4ccccc4c3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7758993
24843,CCOc1ccccc1N1CCN(CCOc2ccc(ONC)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.67990804
24844,CCc1ccccc1N1CCN(CCN2CCC(c3ccc(O)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75006306
24845,CCc1ccccc1N1CCN(c2cc(OCCC(N)=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18483134
24846,COC(=O)c1cccc2c1CN1CCc3cc(OC)c(CO)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4629611
24847,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3cn4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6429394
24848,COCCOc1ccc(OC)c(CN2CCN(c3ccc(CCF)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7517879
24849,COOc1ccc(OCCF)cc1CCN1CCN(c2ccccc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.83422923
24850,COc1cc2c(cc1-c1ccc(C)cc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7047657
24851,COc1cc2c(cc1O)C1Cc3cccc(Cc4cccc([N+](C)=O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6668627
24852,COc1cc2c(cc1O)C1Cc3cccc(SCc4ccc(CO)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5796347
24853,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3c(C#N)cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.651484
24854,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(C(F)(F)F)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72093207
24855,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(C)OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77284294
24856,COc1cc2c(cc1OC)C(=O)N(CCOc1ccc(ONS(C)(=O)=O)c(C)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.3165401
24857,COc1ccc(OCCN2CCC(Cc3ccc(F)cc3)CC2)cc1S(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.5189912
24858,COc1ccc(OCCN2CCC(Cc3ccc(OC4CCCNC4)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.500835
24859,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(c2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.31003383
24860,COc1ccc2[nH]c(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)cc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.706753
24861,COc1cccc(CN2CCN(CCCC(=O)c3cccc4c3-c3ccccc3C4=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.44724968
24862,COc1cccc2c1CN1CCc3cc(Cc4cccc(OC(F)(F)F)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.637895
24863,Cc1cc(OCCC(=O)N(C)C)ccc1ON1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1392188
24864,Cc1cc(OCCC(O)CCc2ccc3c(c2)CC(=O)CC3)ccc1OS(=O)(=O)N(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.15526088
24865,Cc1cc(OCCCNCCC2CCCCc3cc(C#N)ccc3O2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.28908345
24866,Cc1cc(OCCF)ccc1ON1CCC(C(=O)N2c3ccccc3CC2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23899388
24867,Cc1cc(OCCN2CCC(Cc3ccc4ccccc4c3)NC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4809946
24868,Cc1cc(OCCNS(C)(=O)=O)ccc1OSCCCc1ccc2c(c1)NC(=O)CCC2,[*]CCOc1ccc(O[*])c([*])c1,0.21885855
24869,Cc1cc2c(cc1-c1cccc(O)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69087297
24870,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)N(C)Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.564716
24871,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cc4ccccc4s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68003124
24872,Fc1ccc(-c2ccccc2N2CCN(CCN3CCC(F)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79308486
24873,N#Cc1ccc(-c2cc3c(cc2Br)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6964648
24874,N#Cc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccncc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8240386
24875,OCc1cc2c(cc1O)C1Cc3cccc(C=NOCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71877265
24876,Oc1cc(-c2ccccc2)cn1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7782747
24877,Oc1ccc(F)cc1-c1ccccc1N1CCN(CCN2CCC(O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7503472
24878,CC(=O)NCCOc1ccc(ON2CCCC(COc3ccccc3)C2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.117508665
24879,CC(C)(C)[N+]C(=O)Nc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43813378
24880,CC1CCN(CCN2CCN(c3ccccc3-n3ccc(O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73550904
24881,CCCOc1ccc(ON)c(N2CCN(c3cccc(OCC(F)(F)F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3465543
24882,CCCOc1ccc(ON=S(C)(=O)O)c(C2CCCC(Cc3ccc4c(c3)NC(=O)CC4)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31058925
24883,CCCOc1ccc(ON=S(C)(=O)O)c(N2C(=O)CCc3ccccc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11267878
24884,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(c3ccc(CCC(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2560765
24885,CCCOc1ccc(OOC)c(CCNC(=O)c2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.036450807
24886,CCCOc1ccc(OOC)c(CCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11808442
24887,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCN(c3ccccc3OCC(C)C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3321937
24888,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)Cc2ccc3c(c2)C(OCC)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17593357
24889,CCOc1cccc(CN2CCN(CCCN3Oc4ccccc4NC3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.52616155
24890,CCSc1ccccc1N1CCN(CCN2CCC(Nc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6639806
24891,CN=S(=O)(O)CCOc1ccc(OC)c(N2CCCC(Oc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17644905
24892,COC1CCN(CCN2CCN(c3ccccc3-c3cc4ccccc4n3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7450688
24893,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8004046
24894,COCCOc1ccc(OCCNC(=O)c2ccccc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.030880485
24895,COCc1ccc(N2CCN(Cc3cc4c(cc3OC)C3Cc5cccc(O)c5CN3CC4)CC2)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70364815
24896,CON1CCN(CCNC(=O)c2ccc(O)c(-c3ccco3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27279785
24897,COOc1ccc(OCCN2CCC(NC(=O)c3ccc(SC)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.44806078
24898,COc1cc2c(cc1-c1c[nH]c3ccccc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7578634
24899,COc1cc2c(cc1CNOCc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7068681
24900,COc1cc2c(cc1O)CCN1Cc3c(CCN(C)C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.84172785
24901,COc1ccc(OCCC(C)=O)cc1NCC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.19702224
24902,COc1ccc(OCCCCc2cccs2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.099425875
24903,COc1ccc(OCCCNCc2ccco2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13829143
24904,COc1ccc(OCCCNS(C)(=O)=O)cc1N1CCC(Oc2ccc(C3CCCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27636608
24905,COc1ccc(OCCN2CCC(=O)C(c3ccccc3)C2)cc1C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.4699859
24906,COc1ccc(OCCN2CCCC(CCc3ccc(F)cc3)C2)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.47117877
24907,COc1ccc(OCCN2CCN(C)CC2)cc1C(=O)NSc1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.22366191
24908,COc1ccc(OCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.31151092
24909,COc1ccc(OCCN=S(C)(=O)O)cc1NC(=O)COc1ccc(C=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.0070201135
24910,COc1ccc(OCCN=S(C)(=O)O)cc1NCC1CCc2ccccc2O1,[*]CCOc1ccc(O[*])c([*])c1,0.2802446
24911,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1N1CCN(C=[SH]C(=O)O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1863588
24912,COc1ccc(OCCS(C)(=O)=O)cc1NC(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.020295817
24913,COc1cccc(CC2CCN(CCOc3ccc(OC)c(SC)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.66890585
24914,COc1cccc(NC(=O)c2cccc3c2CN2CCc4cc(OC)c(C)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.28939503
24915,COc1ccccc1C1CCN(c2cc(OCCSC)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3224362
24916,CS(=O)(=O)OOc1ccc(OCCF)cc1CCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.113182336
24917,Cc1cc(OCCCNS(=O)(=O)c2cc(C3CCCCN3)ccc2F)ccc1OOC(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.14830512
24918,Cc1cc(OCCF)ccc1ON1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.38594988
24919,Cc1cc(OCCN2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)ccc1OOC(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.6099709
24920,Cc1cc(OCCN2CCC(c3ccccc3)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5679598
24921,ClCCCN1CCN(Cc2cccc(COc3cccc4cccnc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.52942115
24922,O=C(c1cccc(CN2CCN(CCCF)CC2)c1)C1CCNc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5638522
24923,O=C1c2ccccc2CCN1Cc1cccc(CN2CCN(CCCOC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.76652145
24924,Oc1cc2c(cc1Cc1ccncc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7618041
24925,Oc1ccc(F)c(-c2ccccc2N2CCN(CCN3CCC(O)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7371289
24926,Oc1ccc2c(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)cc(O)nc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7260062
24927,Oc1ccc2c(c1)NC(c1cccc(CN3CCN(CCCOCCF)CC3)c1)CO2,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61854583
24928,Oc1cccc2c1CN1CCc3cc(-c4cccc(-c5ccccc5)c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65226996
24929,CC1CCN(CCN2CCN(c3ccccc3C(=O)N3c4ccccc4CC3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.60081655
24930,CCCCNOc1ccc(OCCC)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7465061
24931,CCCOc1ccc(OC)c(N2CCN(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31992623
24932,CCCOc1ccc(OCCCc2ccc(F)cc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1323022
24933,CCCOc1ccc(ONCCCc2ccco2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0928285
24934,CCCOc1ccc(OOC)c(Cc2ccccc2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12151967
24935,CCCOc1ccc(OS(C)(=O)=O)c(C(C)CCc2ccc3c(c2)NC(=O)CCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2211856
24936,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC2Cc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36689606
24937,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)Cc2ccc(CC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0071367915
24938,CCCOc1ccc(OS(C)(=O)=O)c(NC(Cc2ccc3c(c2)NC(=O)CC3)OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2269586
24939,CCc1ccc(N=Cc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6586189
24940,COC(=O)c1cc(Cc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c2ccccc2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48248094
24941,COCCCN1CCN(Cc2cccc(CC3CCc4ccccc4O3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64525145
24942,COCCOc1ccc(OC)c(CNS(=O)(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.050935157
24943,COOc1cc2c(cc1O)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7892584
24944,COOc1ccc(OCCCOc2ccc(F)cc2)cc1CCN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.51010704
24945,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1sccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26240605
24946,COc1cc2c(cc1O)C1Cc3cccc(Cc4cccc(C)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7020115
24947,COc1cc2c(cc1OC(F)(F)F)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75984985
24948,COc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73363835
24949,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccccc1C#N,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.38556638
24950,COc1ccc(OCCCN=S(C)(=O)O)cc1NCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07090096
24951,COc1ccc(OCCF)cc1CN1CCN(c2cccc(Cl)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.71965986
24952,COc1ccc(OCCN2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.47924557
24953,COc1ccc(OCCN2CCC(c3cccc(C(C)=O)c3)CC2)cc1[N+](=O)[O-],[*]CCOc1ccc(O[*])c([*])c1,0.49804163
24954,COc1ccc(OCCN2CCC(c3cccc(C(F)(F)F)c3)CC2)cc1OC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5426273
24955,COc1ccc(OCCN2CCC(c3ccccc3F)CC2)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.65800613
24956,COc1ccc(OCCNS(C)(=O)=O)cc1C1NCCCC1COc1cc2c(cc1F)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.24672511
24957,COc1cccc(CN2CCN(CCCCc3coc(C=Cc4ccccc4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7251282
24958,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(N)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32315505
24959,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(F)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80566233
24960,COc1ccccc1N1CCN(CCN2CCC(c3ccc4cc(C#N)ccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7797862
24961,COc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccco4)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8278636
24962,COc1ccccc1N1CCN(CCN2CCC(n3ccc(-c4ccc(F)cc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8518019
24963,COc1ccccc1N1CCN(CCN2CCC(n3cccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8136157
24964,COc1ccccc1N1CCN(CCOc2ccc(OOS(C)(=N)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.710081
24965,CSOc1ccc(OCCN2CCC(c3cccc(NC(=O)C(C)C)c3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.36476976
24966,CSSOc1ccc(OCCN2CC(Cc3ccc4ccccc4n3)CCS2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.25047407
24967,Cc1cc(OCCCN2CCC(O)(c3ccc(Cl)cc3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.7779253
24968,Cc1cc(OCCN2CC(Cc3ccc4ccccc4c3)CCN2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16088676
24969,Cc1cc(OCCN=S(C)(=O)O)ccc1OCCCc1ccc2c(c1)NC(=O)CCC2,[*]CCOc1ccc(O[*])c([*])c1,0.17683478
24970,Cc1cc(OCCNCc2ccccc2)ccc1O[SH](=O)=Cc1ccc(S(C)(=O)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.20312166
24971,Cc1cc(OCCNS(C)(=O)=O)ccc1ONC1CCC(Oc2ccc(CC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.100433074
24972,Fc1cccc(CN2CCN(CCCc3ncc(-c4ccccc4)s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.52344924
24973,O=C(Cc1cccc(CN2CCN(CCCCl)CC2)c1)c1nc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.621792
24974,O=C(Cc1ccccc1)Nc1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.314857
24975,O=C(NCc1ccccc1)Oc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43633705
24976,O=C(NCc1ccccc1N1CCN(CCN2CCC(O)CC2)CC1)c1cc2ccccc2nc1O,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6292197
24977,O=S1(=O)CCc2c(O)cccc2N1c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6375647
24978,OCCC1CCN(CCN2CCN(c3ccccc3-n3c(O)nc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7384239
24979,CC(=O)c1ccc(F)cc1S(=O)(=O)NCCOc1ccc(ON2CCNCC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.088591196
24980,CCCCN1CCN(Cc2cccc(C(=O)c3nc4ccccc4s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4601001
24981,CCCOc1ccc(OCN2CCN(c3ccc(F)cc3)CC2)c(NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2583468
24982,CCCOc1ccc(OCNc2ccccc2OCC)c(CS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.066719316
24983,CCCOc1ccc(OOC)c(CN2CCC(c3cccc(C(F)(F)F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.64931536
24984,CCCOc1ccc(OS(C)(=O)=O)c(OCCOc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25155503
24985,CCCOc1ccc(OSC)c(C(=O)COc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.084084995
24986,CCCOc1ccc(OSC)c(CCOc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08161807
24987,CCCOc1ccc(OSC)c(NS(=O)(=O)c2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09110733
24988,CCOc1ccccc1N1CCN(CCNC(=O)c2ccc(OC)c(O)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.83720726
24989,CCOc1ccccc1N1CCN(Oc2ccc(OCCCNC(=O)c3ccccc3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20793475
24990,COC(=O)C1(c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)CCCC1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4517495
24991,COCCCN1CCN(Cc2cccc(-c3ccc(-c4ccccn4)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4904465
24992,COCCOc1ccc(OC)c(CN2CCN(c3ccccc3Cl)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.86659503
24993,COCc1cc2c(cc1OC)C1Cc3cccc(-c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70613545
24994,COCc1cccc2c1CN1CCc3cc(OC)c(OCc4ccc(OC)cc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7142785
24995,COOc1ccc(OCCNCc2ccccc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.33245102
24996,COc1cc(-c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)ccc1C,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6249396
24997,COc1cc2c(cc1O)C1Cc3cccc(CCc4ccccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.82528865
24998,COc1cc2c(cc1O)CCN1Cc3c(Cc4cccc(Oc5ccccc5)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63242745
24999,COc1ccc(OCCN2CCC(Oc3ccc(C4CCCCC4)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.6449163
25000,COc1ccc(OCCN2CCCC2Cc2ccc(F)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.33125326
25001,COc1ccc(OCCN2CCN(c3ccccc3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6005073
25002,COc1ccc(OCCNC(=O)Cc2ccc3c(c2)CCC(=O)C3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.058992676
25003,COc1ccc(OCCNC=O)cc1N1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.33960336
25004,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCCC(CCc2cccc3c2C(=O)CCC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25314984
25005,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Cc2ccc3c(c2)CC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.32994303
25006,COc1ccc(OCCS(C)(=O)=O)cc1OC1CCC(Cc2ccc(F)cc2)CN1,[*]CCOc1ccc(O[*])c([*])c1,0.14590234
25007,COc1ccc(OCCc2ccccc2)cc1CN1CCN(CC(=O)N2c3ccccc3CC2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7885044
25008,COc1cccc(CN2CCN(CCCN3CN(c4ccccc4)C(=O)c4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5697465
25009,COc1cccc2oc(CCCCN3CCN(Cc4cccc(Cl)c4)CC3)cc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65810084
25010,COc1ccccc1C(=O)c1ccc(C(=O)NCCN2CCN(OC)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.36409307
25011,COc1ccccc1C1CCN(Oc2ccc(OCCS(C)(=O)=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29607984
25012,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cc4ccccn4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83676845
25013,COc1ccccc1N1CCN(CCN2CCC(Oc3ccc(-c4cn5ccccc5n4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8136877
25014,COc1ccccc1N1CCN(CCN2CCC(c3ncc(-c4ccccc4)o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8391524
25015,COc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccc(F)cc4)c4ccc(C)nc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6568105
25016,Cc1cc(OCCNCCc2ccc3c(c2)NC(=O)CC3)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.21046783
25017,Cc1cc(OCCNS(=O)(=O)c2ccc(F)cc2)ccc1OC1=CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.09778165
25018,Cc1cc(OCCOS(C)(=O)=O)ccc1ON1CCC(c2ccc(CC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19763954
25019,Cc1cc(OCCSCCCc2ccc3c(c2)NC(=O)CC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.14639612
25020,ClCCCN1CCN(Cc2cccc(Cn3ccc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6596685
25021,ClCCCN1CCN(Cc2cccc(Oc3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.80599964
25022,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)C1CCCCN1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63417196
25023,O=C1C=CC(CCCN2CCN(Cc3cccc(Cl)c3)CC2)=C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6065762
25024,O=C1Cc2ccccc2N1CCCN1CCN(Cc2cccc(OC(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72837603
25025,O=C1c2ccccc2C(=O)N1Cc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5908068
25026,O=c1ccc2ccc(CCCN3CCN(Cc4cccc(Cl)c4)CC3)cc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6723653
25027,OCc1[nH]ccc1-c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70085657
25028,Oc1cc2c(cc1-c1ccc3c(c1)OCO3)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69914204
25029,Oc1cc2c(cc1O)C1Cc3cccc(-c4ccccc4F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62837225
25030,CC(=O)c1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccccn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5858614
25031,CC(C)Oc1ccccc1N1CCN(CCN2CCC(n3ccc(Br)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8354148
25032,CCC1Cc2ccc(OCC(=O)CCOc3ccc(OC)c(OS(C)(=O)=O)c3)cc2NC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.21797492
25033,CCCOc1ccc(OCS(C)(=O)=O)c(N2CC=C(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35645732
25034,CCCOc1ccc(ON2CCC(c3ccccc3OC)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37994224
25035,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(Oc3ccc(CC4C=CCN4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33812398
25036,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCN(c3ccccc3OCC(C)C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35391065
25037,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(Cc3ccc(C4CCC(=O)NC4)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23485446
25038,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)Cc2ccc3c(c2)N(CC)C(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07622836
25039,CCCOc1ccc(OS(N)(=O)=O)c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21493912
25040,CCOC(=O)Oc1ccc(OCCN2CCN(c3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.45344755
25041,CCOc1cc2c(cc1OC)CCN1Cc3c(CC)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6835362
25042,CN(Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)c1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6676392
25043,CN(Cc1cccc(CN2CCN(CCCCl)CC2)c1)S(=O)(=O)c1cc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5474809
25044,CNc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1ccccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.24763842
25045,COC(=O)C1CCc2ccccc2N1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.43782613
25046,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.43722862
25047,COCCCN1CCN(Cc2cccc(Cn3cc(-c4ccc(F)cc4)ccc3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53611445
25048,COCCOc1ccc(OF)c(CN2CCN(Cc3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5391198
25049,COOc1ccc(OCCF)cc1N1CCOC(CCc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.3063633
25050,COc1cc2c(cc1-c1cccc(CO)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62117213
25051,COc1cc2c(cc1C[N+](=O)c1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55982864
25052,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc5[nH]ccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7183579
25053,COc1cc2c(cc1O)C1Cc3cccc(Oc4ccccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7657473
25054,COc1cc2c(cc1O)CCN1Cc3c(COC=Cc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.793502
25055,COc1cc2c(cc1O)CCN1Cc3c(Cc4c(O)ccc5ccccc45)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7129784
25056,COc1ccc(NC(=O)c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38429955
25057,COc1ccc(OCCC(=O)COc2ccc(C(F)(F)F)cc2)cc1CN1CCC(C(=O)O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.38228709
25058,COc1ccc(OCCC=Cc2ccc(F)cc2)cc1CN=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.076577425
25059,COc1ccc(OCCF)cc1NS(=O)(=O)c1ccc(Cl)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.047818545
25060,COc1ccc(OCCN2CCCC(Cc3ccc(OC4CCC(=O)NC4)cc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.43558842
25061,COc1ccc(OCCN2CCN(c3ccc(Cl)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.7509802
25062,COc1ccc(OCCN=S(C)(=O)O)cc1NCC1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.075186886
25063,COc1ccc(OCCNC(=O)CCc2ccccc2)cc1COc1ccccc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.024788862
25064,COc1ccc(OCCS(C)(=O)=O)cc1CC1CCC(=O)Nc2cc(CCC3CCCC3)ccc21,[*]CCOc1ccc(O[*])c([*])c1,0.15151699
25065,COc1cccc(CN2CCN(CCCC3c4ccccc4-c4ccccc4S3(=O)=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5481337
25066,COc1cccc(CN2CCN(CCCS(O)=Cc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5332971
25067,COc1cccc2c1CN1CCc3cc(Cc4ccc([N+](C)=O)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6101881
25068,COc1ccccc1N1CCN(CCN2CCC(C3CN(c4ccccc4)CC3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8003681
25069,COc1ccccc1N1CCN(CCN2CCC(c3ccc4ncccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8593155
25070,CS(=O)(=O)NOc1ccc(OCCF)cc1CCN1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6828256
25071,Cc1cc(OCCF)ccc1ON1CCN(c2cccc(C(C)C)c2)C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.15967308
25072,Cc1cc(OCCF)ccc1ONS(=O)(=O)c1cccc(C(N)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.026823917
25073,Cc1cc(OCCN2CCC(Cc3ccc4ccccc4c3)OC2)ccc1OS(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.42380497
25074,Cc1cc(OCCNc2cccs2)ccc1OS(=N)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.050376732
25075,FCCCN1CCN(Cc2cccc(-c3ccc4cccc-4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57017595
25076,O=C1CCc2cc(-c3cccc(CN4CCN(CCCCl)CC4)c3)ccc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70342773
25077,O=C1c2ccccc2CCCN1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72624296
25078,Oc1ccccc1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75117284
25079,CCCOc1ccc(OC)c(NS(=O)(=O)c2ccc(Cl)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05418322
25080,CCCOc1ccc(OCF)c(CN2CCCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.78169
25081,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(NC(=O)c3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13593967
25082,CCCOc1ccc(ONC=O)c(NCCC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.043178678
25083,CCCOc1ccc(ONCCc2ccc(F)cc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08924461
25084,CCCOc1ccc(ONS(=O)(=O)c2ccc(C(C)C)cc2)c(N2CCCC(Cc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1433545
25085,CCCOc1ccc(OOC)c(N2CCN(C(=O)CCc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09090444
25086,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22113132
25087,CCNC(=O)c1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5059739
25088,CCOC(=O)Oc1ccc(OCCCN2CCN(c3ccccc3OC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.7850173
25089,CCOc1ccccc1N1CCN(CCN2CCC(Oc3ccccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8860554
25090,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccc(O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.47413322
25091,COC1CCN(CCN2CCN(c3ccccc3NS(=O)(=O)c3ccc(C#N)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.42832208
25092,COCCCN1CCN(Cc2cccc(-c3ccc(F)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61410344
25093,COCCCN1CCN(Cc2cccc(-n3c(O)cc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5867706
25094,COCCCN1CCN(Cc2cccc(NC(=O)c3csc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.29771814
25095,COCc1ccc(COc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6837622
25096,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(OCc5ccccc5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64019954
25097,COc1cc2c(cc1OC)C1Cc3cccc(Cc4cccc(Cl)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5835593
25098,COc1cc2c(cc1OCc1ccc(COC(C)=O)cc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39491475
25099,COc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1ccccc1-c1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30519164
25100,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.38139606
25101,COc1ccc(Cc2cccc3c2CN2CCc4cc(-c5cccc(CO)c5)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54076195
25102,COc1ccc(OCCCC(C)Oc2ccccc2N2CCNC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.35051546
25103,COc1ccc(OCCCNC(=O)Cc2ccccc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.02272604
25104,COc1ccc(OCCN2CCC(c3ccccc3F)CC2)cc1C(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.6515593
25105,COc1ccc(OCCN2CCCCC2c2ccccc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.4976457
25106,COc1ccc(OCCN=S(C)(=O)O)cc1CCCc1ccc2c(c1)CCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.20154628
25107,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(Cc2ccc3c(c2)OC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.30826017
25108,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCCC(Oc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.27380687
25109,COc1ccc(OCCS(=O)(=O)O)cc1CC(=O)Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.03031841
25110,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25589576
25111,COc1cccc2c1CN1CCc3cc(-c4ccoc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68295515
25112,COc1cccc2c1CN1CCc3cc(COCc4ccc([N+](=O)[O-])cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5044247
25113,COc1ccccc1CC1CCCN(CCOc2ccc(ONS(C)(=O)=O)c(C)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.3881865
25114,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(-c4cccnn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87945735
25115,COc1ccccc1N1CCN(CCN2CCC(n3cc(F)ccc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8705657
25116,COc1ccccc1N1CCN(COc2ccc(OCCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6976501
25117,COc1ccccc1N1CCN(Oc2ccc(OCCOCc3ccccc3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.36873615
25118,CSSOc1ccc(OCCNCCc2ccc3c(c2)OC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.2348426
25119,Cc1cc(OCCCS(=O)(=O)c2cc(F)ccc2F)ccc1OOC1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.18790035
25120,Cc1cc(OCCNC(=O)COc2ccc3c(c2)NCC3)ccc1ON1CCNC1,[*]CCOc1ccc(O[*])c([*])c1,0.09576518
25121,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCCC(COc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.1971458
25122,Cc1cccc2c1CN1CCc3cc(O)c(Cc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49543238
25123,Cc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3cccc(F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71040034
25124,FC(F)(F)c1ccccc1N1CCN(CCN2CCC(c3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8010297
25125,FCCCN1CCN(Cc2cccc(-c3ccccc3-c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7202031
25126,NC(=O)c1ccc(CCCN2CCN(Cc3cccc(Cl)c3)CC2)o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5992748
25127,O=C(NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)c1ccc2c(c1)C(=O)c1ccccc1C2=O,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7509397
25128,O=C(NCCN1CCN(Cl)CC1)c1ccc(F)c(-c2ccccc2)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.41010502
25129,O=C(NCc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1ccc(F)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7490107
25130,O=c1ccc2ccc(Oc3cccc(CN4CCN(CCCC(F)(F)F)CC4)c3)cc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58880746
25131,Oc1cccc2c1CN1CCc3cc(Nc4ccccc4)c(F)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5169235
25132,Oc1nc(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)c2ccccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7881904
25133,CC(O)c1ccccc1N1CCN(CCN2CCC(n3nc(-c4ccccc4)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6263827
25134,CCC(=O)NCCc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36643946
25135,CCCC(=O)Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.30436942
25136,CCCON=Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6696567
25137,CCCON=Cc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.644654
25138,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3025358
25139,CCCOc1ccc(OS(C)(=O)=O)c(C(=O)COc2ccc(CC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06867863
25140,CCCOc1ccc(OS(C)(=O)=O)c(CCNCC2CCc3ccccc3C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25998092
25141,CCCOc1ccc(OS(C)(=O)=O)c(OC2CCCc3ccc(OCC(F)(F)F)cc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34882453
25142,CCCOc1ccc(OS(N)(=O)=O)c(CCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11836676
25143,CCCOc1ccc(O[N+](=O)[O-])c(N2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3663685
25144,CCOc1ccccc1N1CCN(CCOc2ccc(OC)c(S(C)(=O)=O)c2)CC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.39608932
25145,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(N)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81993735
25146,COCCCN1CCN(Cc2cccc(CNC(=O)c3cccc4c3CCc3ccccc3-4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53859735
25147,COCCCN1CCN(Cc2cccc(S(=O)(=O)c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4467415
25148,CON1CCN(CCNC(=O)c2ccc(C)c(-c3cccc(C(C)=O)c3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30147633
25149,COc1cc2c(cc1C(C)c1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.674915
25150,COc1cc2c(cc1C)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7406032
25151,COc1cc2c(cc1N)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7809177
25152,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc(NC(C)=O)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3200041
25153,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cc(C(F)(F)F)ccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68016243
25154,COc1cc2c(cc1OC)C1Cc3cccc(C4COCO4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7535099
25155,COc1ccc(C(=O)NCCN2CCN(c3ccccc3C#N)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.8019747
25156,COc1ccc(C)c(-c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6257276
25157,COc1ccc(OCCC(N)=O)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.028478816
25158,COc1ccc(OCCCC(=O)c2ccc(F)cc2)cc1CN1CCC(S(=O)(=O)c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3635223
25159,COc1ccc(OCCCS(=O)(=O)Cc2ccc(F)cc2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.09733588
25160,COc1ccc(OCCN2CCC(SCc3ccccc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5057706
25161,COc1ccc(OCCN2CCC(c3cccc(C(=O)N4CCCCCC4)c3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.25965115
25162,COc1ccc(OCCN2CCC(c3ccccc3C)CC2)cc1S(=O)(=O)N(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.5415155
25163,COc1ccc(OCCNCc2cccnc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.15718709
25164,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCCC(S(=O)c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21421482
25165,COc1ccc(OCCOC(C)C)cc1CNCC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.4409053
25166,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCCC(CCc2ccc3c(c2)NC(=O)CC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.36116603
25167,COc1ccc(OCCc2ccc(OCC(F)(F)F)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07148228
25168,COc1cccc(CN2CCN(CCCCN3C(=O)c4ccccc4C3C=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69487387
25169,COc1cccc(CN2CCN(CCCN3CCc4c(OC)cccc4C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58199245
25170,COc1ccccc1N1CCN(CCN2CCC(c3cccc(C=O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.891127
25171,COc1ccccc1N1CCN(CCN2CCC(n3ccnn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.89538425
25172,CS(=O)(=O)Oc1ccc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7073866
25173,CSOc1ccc(OCCCOCCc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.2678173
25174,CSc1cc(OCCN2CCCCC2)ccc1OCS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.21760827
25175,Cc1cc(O)n(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65773696
25176,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.6016017
25177,Cc1cc(OCCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)ccc1ON1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.14011261
25178,Cc1cc2c(cc1OCc1ccccn1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6612301
25179,Clc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6605848
25180,O=C(C=Cc1ccccc1)Nc1cccc(CN2CCN(CCCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46110618
25181,O=S1(=O)c2ccccc2CC1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7131627
25182,OCc1ccc(COc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69869155
25183,Oc1cccc2c1CN1CCc3cc(C=NOc4cccc(F)c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6868684
25184,Oc1cccc2c1CN1CCc3cc(Cc4cccc(Cl)c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62874246
25185,CC(=O)c1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.662191
25186,CC1(C(=O)NCCCCN2CCN(Cc3cccc(Cl)c3)CC2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51291394
25187,CC1CCN(CCN2CCN(c3ccccc3C(=O)c3cc4ccccc4nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.628754
25188,CCCOc1ccc(OC(C)=O)c(N2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1720381
25189,CCCOc1ccc(OCc2ccccc2)c(N2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.380661
25190,CCCOc1ccc(ON2CCN(C(C)=O)CC2)c(NC(=O)Cc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0439428
25191,CCCOc1ccc(ONS(C)(=O)=O)c(N2CC3CCC(C2)C(Cc2ccc(F)cc2)C3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18706824
25192,CCCOc1ccc(OSC)c(N2CCC(c3ccc(OCC(C)=O)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12379995
25193,CCCc1ccc(OC2CCN(c3cc(OCCOS(C)(=O)=O)ccc3OC)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.25171044
25194,CCCc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7323139
25195,CCOC1CCN(CCN2CCN(c3ccccc3Oc3ccc(OC)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.871938
25196,CCOCCCN1CCN(Cc2cccc(-n3c(O)cc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55341506
25197,COC(=O)c1cc2c(cc1O)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42754498
25198,COC(=O)c1ccc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.7882883
25199,COC1CCN(CCN2CCN(c3ccccc3CNCC3CCc4ccc(O)cc4C3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7155188
25200,COCCCN1CCN(Cc2cccc(CC(=O)N3CCc4ccccc4C3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4627609
25201,COCCOc1ccc(ON2CCCC(c3ccccc3)C2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34021002
25202,CON1CCN(CCNC(=O)c2ccc(-c3ccccc3)c(-c3ccc(Cl)cc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.4230387
25203,COOc1ccc(OCCN2CCC(Cc3ccc4ccccc4n3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.53881055
25204,COc1cc2c(cc1O)C1Cc3cccc(-c4cnccc4C#N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6938763
25205,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(C=O)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69018984
25206,COc1cc2c(cc1OC)C1Cc3cccc(CC(=O)OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3751671
25207,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68261474
25208,COc1ccc(CC2C3CCC2CN(c2cc(OCCNS(C)(=O)=O)ccc2OC)C3)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.19087
25209,COc1ccc(COc2cc3c(cc2O)CCN2Cc4c(O)cccc4CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7442108
25210,COc1ccc(Cc2cccc(CN3CCN(CCCCl)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5982173
25211,COc1ccc(OCCC(=O)COc2ccc(F)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.034213863
25212,COc1ccc(OCCC(O)CCc2ccc3c(c2)CC(=O)CC3)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1686269
25213,COc1ccc(OCCN2CCC(Oc3ccc(CC4CCCC4)cc3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.52283674
25214,COc1ccc(OCCNS(=O)(=O)c2cc(F)ccc2OC)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.06266878
25215,COc1ccc(OCCNS(=O)(=O)c2ccccc2C(C)C)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.070673555
25216,COc1ccc(OCCOC(=O)CCCc2ccccc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.07314691
25217,COc1ccc(OCCOS(C)=O)cc1N1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.32377613
25218,COc1ccc(OCCS(=O)(=O)O)cc1NCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.068469055
25219,COc1ccc(OCCS(C)(=O)=O)cc1CC(=O)Cc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.17249611
25220,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(c2ccc(OCCF)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3141344
25221,COc1ccc(OCCS(C)(=O)=O)cc1NCCc1ccccn1,[*]CCOc1ccc(O[*])c([*])c1,0.06495592
25222,COc1ccc2cc(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)c(OC)cc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70573646
25223,COc1cccc(CN2CCN(CCCCNC(=O)c3cccc(C#Cc4ccccc4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5579774
25224,COc1cccc(CN2CCN(CCCN3c4ccccc4CS3(=O)=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68746686
25225,COc1cccc2c1CN1CCc3cc(-c4ccc(C)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64842665
25226,COc1cccc2c1CN1CCc3cc(C=NOc4cccc(C#N)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60790694
25227,COc1cccc2c1CN1CCc3cc(F)c(Oc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67138445
25228,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(-c4cccc(O)c4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8395881
25229,CSc1ccc(CCCN2CCN(Cc3cccc(Cl)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66316855
25230,Cc1cc(OCCNCS(=O)(=O)c2ccc(F)c(F)c2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06549131
25231,Cc1cc(OCCNCc2cccs2)ccc1OCS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13558926
25232,Cc1cc(OCCOCc2ccccc2)ccc1ON1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.41050512
25233,Cc1cccc(CN2CCN(CCCNS(=O)(=O)c3cc4ccccc4s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48277956
25234,N#CCCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70375913
25235,O=[N+]([O-])c1ccccc1N1CCN(CCN2CCC(c3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5679973
25236,OCc1ccc(-c2cc3c(cc2Br)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7372374
25237,CCCOc1ccc(OC=O)c(N2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3185844
25238,CCCOc1ccc(OCCN2CCN(c3ccccc3OC)CC2)c(NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5777249
25239,CCCOc1ccc(ONS(C)(=O)=O)c(CN2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5113768
25240,CCCOc1ccc(OOC)c(CN2CCN(c3ccccc3OC)C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31162855
25241,CCCOc1ccc(OS(C)(=O)=O)c(-c2ccc(CCN3CCCCC3)s2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26318896
25242,CCCOc1ccc(OS(C)(=O)=O)c(CCCc2ccccn2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10987962
25243,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3ccc(OCC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2881402
25244,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)COc2ccc(CCCF)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.009591857
25245,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.306556
25246,CCCc1ccc(OC2CCN(CCOc3ccc(ON)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.59492856
25247,CCOc1ccccc1C(=O)Nc1cc(OCCSC)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.023829844
25248,CCOc1ccccc1N1CCN(CCN2CCC(n3cnc(-c4ccc(F)cc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79264057
25249,CNCCOc1ccc(OC)c(N2CCCC(Cc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2978876
25250,COC(=O)C1=CCN(Cc2cc(OCCc3ccccc3)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.30783388
25251,COC1CCN(CCN2CCN(c3ccccc3-c3cc(-c4ccccc4)no3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7430785
25252,COC1CCN(CCN2CCN(c3ccccc3S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.55469066
25253,COCCCN1CCN(Cc2cccc(-c3ccc(S(C)(=O)=O)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4818837
25254,COCCCN1CCN(Cc2cccc(-c3csc(-c4ccc(Br)cc4)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56237024
25255,COCCCN1CCN(Cc2cccc(-c3csc(-c4ccccc4OC)n3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5447819
25256,CON1CCN(CCNC(=O)c2ccc(O)c(-c3cccc(C)c3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29155996
25257,COc1c(Cl)cccc1-c1cc(C(=O)NCCN2CCN(N)CC2)ccc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.25967747
25258,COc1cc2c(cc1CO)CCN1Cc3c(COCc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7706661
25259,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc5c(c4)NC(=O)CO5)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6080286
25260,COc1cc2c(cc1O)C1Cc3cccc([SH](C)(=O)O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7049659
25261,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc5cccc(CO)c5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5955772
25262,COc1ccc(OCCCCNC(=O)c2ccc(C(C)=O)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.042104967
25263,COc1ccc(OCCCNC(=O)c2ccc3c(c2)CCCC3)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.11557491
25264,COc1ccc(OCCCOc2ccc(F)cc2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.12839614
25265,COc1ccc(OCCNC(=O)c2ccc3c(c2)CCCC3)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.08961685
25266,COc1ccc(OCCNCCc2cccs2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.17797753
25267,COc1ccc(OCCOS(C)(=O)=O)cc1CCC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.30124262
25268,COc1ccc(OCCOS(C)(=O)=O)cc1NCCc1cccc2c1CCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.13738775
25269,COc1ccc(OCCS(C)(=O)=O)cc1C(=O)COc1ccc(CF)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07126447
25270,COc1ccc(OCCS(C)(=O)=O)cc1NCCc1ccc(OC2CCCCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.124389134
25271,COc1cccc(CN(C)c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66420466
25272,COc1cccc2c1CN1CCc3cc(OC(C)Nc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57656837
25273,COc1ccccc1-c1cc(C(=O)NCCN2CCN(F)CC2)ccc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.40012226
25274,COc1ccccc1CCN1CCCCC1Oc1ccc(OCCN(C)C)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.47664833
25275,COc1ccccc1N1CCN(COc2ccc(OCCNC(=O)Cc3ccc(F)cc3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.49458373
25276,CSOc1ccc(OCCN2CCC(c3ccc(SC)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6587673
25277,Cc1cc(OCCCS(=O)(=O)c2ccc(F)cc2)ccc1ON(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.064525604
25278,Cc1cc(OCCF)ccc1ONC(=O)C1CCN(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.37270656
25279,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCCC(CCc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.17082101
25280,Cc1cc(OCCNS(C)(=O)=O)ccc1OCCCc1ccc2c(c1)NC(=O)CCC2,[*]CCOc1ccc(O[*])c([*])c1,0.19701669
25281,Cc1cc(OCCS(N)(=O)=O)ccc1ON1CCC(c2ccc(OCC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21879087
25282,Cc1cccc(-c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6741958
25283,Cc1ccccc1N1CCN(CCN2CCC(C(=O)NCc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6063383
25284,Fc1cccc(CN2CCN(CCCc3ccc4c(c3)OCO4)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48735198
25285,O=S1(=O)CN(Cc2cccc(CN3CCN(CCCCl)CC3)c2)c2ccccc2S1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5521387
25286,Oc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75708675
25287,Oc1cccc2c1CN1CCc3cc(Br)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74951035
25288,c1ccc(OCCCN2CCN(Cc3cccc(Cc4cccc(-c5ccccc5)c4)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6788396
25289,CC(=O)c1ccc(C(=O)C2CCN(Oc3ccc(OCCN4CCCC4=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.09671725
25290,CC(C)Oc1ccccc1N1CCN(CCN2CCC(COc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7746875
25291,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(Cc3cc4ccc(F)cc4o3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24092452
25292,CCOc1ccccc1N1CCN(CCN2CCC(c3ccc(O)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6968698
25293,CCc1cccc2c1CN1CCc3cc(OC)c(NC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65589714
25294,COC(=O)c1ccc(COc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.526126
25295,COC1CCN(CCN2CCN(c3ccccc3C(O)c3cc(F)ccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7362031
25296,COC1CCN(CCN2CCN(c3ccccc3NS(=O)(=O)c3ccc4cccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.54654986
25297,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc(C)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7713672
25298,COC1CCN(CCN2CCN(c3ccccc3Oc3cccc4cc(O)nc-4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82275856
25299,COCCCN1CCN(Cc2cccc(CC3CCC(NC(C)=O)CC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4780105
25300,COCCOc1ccc(OC)c(C=CC(=O)c2ccccn2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.045794882
25301,COOc1ccc(OCCNS(=O)(=O)c2ccc(F)cc2)cc1CC1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.12513487
25302,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35797274
25303,COc1cc2c(cc1Cc1cccc([N+](=O)C(N)=O)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5571924
25304,COc1cc2c(cc1O)CCN1Cc3c(cccc3N3CCCC(OCc4ccccc4)C3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52456594
25305,COc1ccc(OCCC(N)=O)cc1NCCC1CCc2occc2C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.08532663
25306,COc1ccc(OCCCN=S(C)(=O)O)cc1CCC(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.091270514
25307,COc1ccc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1[SH](C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.62875485
25308,COc1ccc(OCCN2CCC(Cc3ccc4ccccc4n3)CC2)cc1OS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.6188444
25309,COc1ccc(OCCN2CCCCC2)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.30339426
25310,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(Oc2ccc(C3CCCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20634528
25311,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1C(=O)C1CCN(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.26123816
25312,COc1ccc(OCCNC=O)cc1N1CCC(C(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25534692
25313,COc1ccc(OCCNCCc2ccc(F)cc2)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.74601996
25314,COc1ccc(OCCNS(C)(=O)=O)cc1CC1CCc2ccc(OCC3CCCC3)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.27528715
25315,COc1ccc(OCCSCCc2ccc3c(c2)CC(=O)CC3)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.13764703
25316,COc1cccc(CN2CCN(CCCc3ccc4c(c3)Cc3ccccc3-4)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67237246
25317,COc1cccc2c1CN1CCc3cc(S(=O)(=O)Oc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6664938
25318,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2573635
25319,COc1ccccc1N1CCN(CCN2CCC(c3cc(Cl)cnc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77359337
25320,COc1ccccc1N1CCN(CCN2CCC(c3ccc4c(c3)OCO4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87760836
25321,Cc1cc(OCCN=S(C)(C)=O)ccc1ON1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.24293523
25322,Cc1cc(OCCNC(O)CCc2ccc3c(c2)CC(=O)CC3)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.122245535
25323,Cc1cc(OCCNCc2ccccc2)ccc1ON1CCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.2895024
25324,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCCC(Cc2ccc(OC3CCC3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.18487613
25325,Cc1cc(OCCS(C)(=O)=O)ccc1OCCOc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.09769826
25326,Cc1cc2c(cc1O)C1Cc3cccc(OS(C)(=O)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55386597
25327,Cc1ccccc1N1CCN(CCN2CCC(c3ccc(O)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67542213
25328,Cc1ccccc1OC1CCN(Oc2ccc(OCCOS(C)(=O)=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23295002
25329,Cc1ccccc1OCC(=O)NCCOc1ccc(ON2CCNCC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05033105
25330,Cc1cn(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7246661
25331,FCCCN1CCN(Cc2cccc(C=Cc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6976099
25332,Fc1ccc(-c2ccnc(-c3ccccc3N3CCN(CCN4CCC(F)CC4)CC3)n2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6657606
25333,O=C(NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)c1cn2ccccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74812675
25334,O=C(NCCCCN1CCN(Cc2cccc(Oc3ccc(F)cc3)c2)CC1)C1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56875455
25335,O=C1CCc2cccc(CCCN3CCN(Cc4cccc(C(F)(F)F)c4)CC3)c2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69034743
25336,Oc1cc2c(cc1-c1cccs1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78531325
25337,Oc1cc2c(cc1Cc1ccc3cc[nH]c3c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7012607
25338,CCCOc1ccc(OC)c(NC(=O)c2cccc(C3CCNCC3)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.102380514
25339,CCCOc1ccc(OCN2CCCN(c3ccccc3OC)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7500486
25340,CCCOc1ccc(ON2CCC(c3ccc(F)cc3)CC2)c(NS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3267044
25341,CCCOc1ccc(ON2CCCN(c3ccccc3C=O)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2851758
25342,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(Oc3ccc(CC(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19747956
25343,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(c3ccc(CCC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18572171
25344,CCCOc1ccc(OS(C)(=O)=O)c(C=Cc2ccccc2OC2CCNCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25515804
25345,CCCOc1ccc(OS(C)(=O)=O)c(CN2C(=O)CCc3ccc(CC4CCCCC4)cc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20118299
25346,CCNCCOc1ccc(ONS(=O)(=O)c2cccc(Cl)c2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11416206
25347,COC(=O)C1CCC(NS(=O)(=O)c2cc(OCCc3cccs3)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.07986326
25348,COC1CCN(CCN2CCN(c3ccccc3C(=O)OCCc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.60718894
25349,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccnc4ccc(O)cc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5677862
25350,COCCCN1CCN(Cc2cccc(C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58314943
25351,COc1cc(C(=O)NCCN2CCN(c3cccc(C)c3)CC2)ccc1C(C)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.65365505
25352,COc1cc2c(cc1CNC(=O)OCc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3066868
25353,COc1cc2c(cc1CO)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.602908
25354,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc5cc(CO)ccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6643575
25355,COc1cc2c(cc1OC)C1Cc3cccc(C(O)c4ccc5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.629841
25356,COc1cc2c(cc1OC)C1Cc3cccc(COCc4ccccc4C#N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.739602
25357,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1Oc1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.36661577
25358,COc1ccc(C(=O)NCCN2CCN([N+](=O)[O-])CC2)cc1-c1ccc(Cl)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.22267303
25359,COc1ccc(OCCN2CCC(Cc3ccc(F)cc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.46617982
25360,COc1ccc(OCCN2CCN(CC(C)=O)CC2=O)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.24192894
25361,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1,[*]CCOc1ccc(O[*])c([*])c1,0.018288132
25362,COc1ccc(OCCNC(C)=O)cc1N1CCCC(CCc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.16639112
25363,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Cc2ccc3c(c2)NC(=O)CC(C)C3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3071062
25364,COc1cccc(CN2CCN(CCCC(=O)N3CCc4c(cccc4OC)C3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.39401573
25365,COc1cccc(CN2CCN(CCCC3Cc4ccccc4C(=O)O3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67287
25366,COc1cccc(CN2CCN(CCCc3cc(-c4ccccc4)no3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67932725
25367,COc1cccc2c1CN1CCc3cc(Cc4ccc(-c5ccccc5)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.680954
25368,COc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3cc4ccccc4nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7016706
25369,CS(=O)(=O)NOc1ccc(OCCF)cc1N1CCC(Cc2ccc(NC(=O)C3CCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.08963224
25370,CSc1cc2c(cc1C)CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61827415
25371,CSc1ccccc1N1CCN(CCN2CCC(NC(=O)C=Cc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71229404
25372,Cc1cc(OCCCN2CCN(c3ccc(Cl)cc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.8010584
25373,Cc1cc(OCCF)ccc1OCNC(=O)Cc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.11573851
25374,Cc1cc(OCCF)ccc1OCNCC1CCN(S(=O)(=O)c2cccc(F)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.09372469
25375,Cc1cc(OCCN2CCC(C(=O)N3CCCc4ccccc43)CC2)ccc1OC(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.40624782
25376,Cc1cc(OCCN2CCC(Cc3cccc(N4CCCS4(=O)=O)c3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5879265
25377,Cc1cc(OCCN2CCC(NS(=O)(=O)c3ccccc3C(C)C)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6352977
25378,Cc1cc(OCCN2CCC(S(=O)(=O)c3ccccc3F)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.6425451
25379,Cc1cc(OCCNCc2cccs2)ccc1OF,[*]CCOc1ccc(O[*])c([*])c1,0.1333353
25380,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCCC(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.26297584
25381,Cc1cc(OCCNc2cccs2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.06108215
25382,Cc1cc2c(cc1-c1cccs1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70965236
25383,Cc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3ccc(C#N)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.572193
25384,Cc1ccccc1N1CCN(CCN2CCC(c3cccc(-c4ccccn4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6832033
25385,Clc1ccc(-c2cccc(CN3CCN(CCCc4ccccc4)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7238003
25386,Clc1ccccc1N1CCN(CCN2CCC(n3cnc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83749205
25387,Fc1ccc(CCCN2CCN(Cc3cccc(-c4ccccc4)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7797831
25388,O=C(Nc1cccc(CN2CCN(CCCF)CC2)c1)c1cc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3916518
25389,O=C(c1cccc(CN2CCN(CCCCl)CC2)c1)N1CCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5199148
25390,OCC=CNc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57535034
25391,C=S(O)(=Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)OC,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7502288
25392,CC(=O)N1CCN(CCNC(=O)c2ccc(C)c(-c3ccccc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.19781272
25393,CC(C)Oc1ccccc1N1CCN(CCN2CCC(NC(=O)Nc3cccc(F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77764064
25394,CC(O)c1ccccc1N1CCN(CCN2CCC(Cc3ccc4nc(O)ccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6186002
25395,CC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccccc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7662569
25396,CC1CCN(CCN2CCN(c3ccccc3C(C)C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71003306
25397,CCCOc1ccc(ONS(C)(=O)=O)c(OC2CCN(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.46545643
25398,CCCOc1ccc(OOC)c(-n2ccc(C(=O)N3CCCCC3)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04845755
25399,CCCOc1ccc(OOC)c(N2CCC(S(C)(=O)=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30062774
25400,CCCOc1ccc(OS(=O)(=O)NC(C)=O)c(CCCc2ccc3c(c2)CC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14352013
25401,CCCOc1ccc(O[N+](=O)[O-])c(N2CCN(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18616463
25402,CCOC1CCN(CCN2CCN(c3ccccc3-n3ccnc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7326854
25403,CNC(=O)CCOc1ccc(ON2CCC(Cc3ccccc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07767814
25404,COC1CCN(CCN2CCN(c3ccccc3-c3cc(O)nc4c(O)cccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6917496
25405,COCCOc1ccc(OC2CCN(CCc3ccccc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.65116036
25406,COCc1cc2c(cc1O)C1Cc3cccc(-c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6246457
25407,COOc1ccc(OCCCn2ccc(C(F)(F)F)c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.12412795
25408,COc1cc2c(cc1-c1ccccc1)CCN1Cc3c(cccc3[N+](=O)c3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5527909
25409,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccc(OC)c(OC)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6971507
25410,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cccc(CC#N)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6635759
25411,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)OCc4ccc(Br)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47849375
25412,COc1cc2c(cc1OC)C1Cc3cccc(CNCc4cccc(C)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6358669
25413,COc1cc2ccccc2n1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73289764
25414,COc1ccc(CC2CCC(NCCOc3ccc(OS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.17903446
25415,COc1ccc(OCCC(C)=O)cc1CN1CCC(c2cc(CCF)on2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.39048928
25416,COc1ccc(OCCCN=O)cc1NCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06793641
25417,COc1ccc(OCCN2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.5357897
25418,COc1ccc(OCCN2CCCN(c3ccc(Cl)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.72888976
25419,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1CN1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2557079
25420,COc1ccc(OCCNC2CCC(F)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.20024599
25421,COc1ccc(OCCS(C)(=O)=O)cc1NC(=O)Cc1ccc(Cl)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.010168866
25422,COc1cccc(-c2cc3c(cc2OC)CCN2Cc4c(O)cccc4CC32)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7709938
25423,COc1cccc(CN2CCN(CCCCc3ccc(C(C)(C)C)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.728881
25424,COc1cccc(CN2CCN(CCCCn3cccc(C)c3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51572084
25425,COc1cccc(CN2CCN(CCCc3csc4ccccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64424807
25426,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(OC)CC2)cc1SC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.37141287
25427,COc1ccccc1C1CCCN(CCOc2ccc(OC)c(S(C)(=O)=O)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.55113035
25428,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(C)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7520401
25429,COc1ccccc1NC(=O)c1cc(OCCCNC(=O)c2ccc(F)cc2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.02808194
25430,CS(=O)(=O)c1cc(OCCN2CCCC2=O)ccc1ON1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23011598
25431,CSOc1ccc(OCCNC(=O)COc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.029552316
25432,Cc1cc(OCCCOCc2ccccc2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.12056136
25433,Cc1cc(OCCN2CCC(Sc3ccc(F)cc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.58834547
25434,Cc1cc(OCCN=S(C)(=O)O)ccc1ONC(=O)Cc1ccc2c(c1)NCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.057170648
25435,Cc1cc(OCCNCC2CC(=O)Nc3ccccc32)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.111055605
25436,Cc1cc(OCCNCC2CCCOC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08451843
25437,Cc1ccccc1N1CCN(CCN2CCC(CNCc3cc4ccccc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.62614137
25438,Fc1cccc(CN2CCN(CCCc3cccc(-c4ccccc4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6968626
25439,O=C(NCCN1CCN(O)CC1)c1ccc([N+](=O)[O-])c(-c2ccccc2[N+](=O)[O-])c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35945556
25440,O=C(Nc1cccc(Cl)c1)Oc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3340167
25441,O=Cc1ccn(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76411074
25442,OCc1cc2c(cc1O)C1Cc3cccc(Cc4cccc(C(F)(F)F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6669252
25443,[O-]c1cccc2c1CN1CCc3cc(O)c(CO)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54870343
25444,BrCCCN1CCN(Cc2cccc(-c3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72620493
25445,CCCOc1ccc(OCC2CCc3ccccc3C2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.51202536
25446,CCCOc1ccc(OCl)c(N2CCC(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40041956
25447,CCCOc1ccc(ON2CCC(CNS(=O)(=O)c3ccc(F)cc3)C2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17193498
25448,CCCOc1ccc(ON2CCC(c3noc4ccc(F)cc34)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34388524
25449,CCCOc1ccc(ONC=O)c(CN2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6170898
25450,CCCOc1ccc(ONS(C)(=O)=O)c(N2CNC(=O)C23CCCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11442369
25451,CCCOc1ccc(OS(C)(=O)=O)c(-c2cc(C(=O)CC)ccc2F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.035590462
25452,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)Cc2ccc3c(c2)N(C)C(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.079921804
25453,CCCOc1ccc(OS(N)(=O)=O)c(N2CCCC(Cc3ccc4c(c3)NC(=O)CCC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28984275
25454,CCCc1ccc(CCOc2ccc(OC)c(CN3CCN(c4ccccc4OC)CC3)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.69053614
25455,CCNC(=O)c1cc2c(cc1C)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3964123
25456,CCOCc1cc2c(cc1-c1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59651554
25457,CCOc1ccccc1N1CCN(CCN2CCC(c3ccc4ccc(O)cc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7365504
25458,CCOc1ccccc1N1CCN(CCN2CCC(c3cnc4cc(Cl)ccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.746083
25459,COC(=O)c1cc(OCCN2CCCC(Cc3ccc(F)cc3)C2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.27716997
25460,COC(=O)c1ccc(Cc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3924463
25461,COC1CCN(CCN2CCN(c3ccccc3-c3ccc4cccnc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7790208
25462,COC1CCN(CCN2CCN(c3ccccc3-c3ccnc4ccc(O)cc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7171034
25463,COC1CCN(CCN2CCN(c3ccccc3-n3cc(Br)ccc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65840256
25464,COCCCCN1CCN(Cc2cccc(C(=O)N3Cc4ccccc4C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6774245
25465,CON1CCN(CCNC(=O)c2ccc(S(C)(=O)=O)c(C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.20289375
25466,COc1cc2c(cc1-c1cccc(C)c1)CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64914227
25467,COc1cc2c(cc1O)CCN1Cc3c(cccc3O[SH](C)(C)=O)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77380913
25468,COc1cc2c(cc1OC)C1Cc3cccc(NC(=O)c4ccco4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.27632654
25469,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(CNCc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7101765
25470,COc1cc2c(cc1Oc1cccc(C)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71558154
25471,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccc(C)c(C)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.18658854
25472,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccccc1Oc1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.36790454
25473,COc1ccc(OCCC2CCN(Cc3ccccc3)CC2)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6023113
25474,COc1ccc(OCCC=O)cc1C1CCN(CCc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6098266
25475,COc1ccc(OCCC=[SH]O)cc1N1CCC(Oc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31785202
25476,COc1ccc(OCCCS(C)(=O)=O)cc1N1CCC(CCc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3947724
25477,COc1ccc(OCCN2CCC(c3ccccc3OC)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.66744775
25478,COc1ccc(OCCNC(=O)COc2ccccc2C)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.014445297
25479,COc1ccc(OCCOCCc2ccccc2)cc1CN1CCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7980265
25480,COc1ccc(OCCOS(C)(=O)=O)cc1N1CCC(Cc2ccc(F)cc2F)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2763475
25481,COc1ccc(OCCS(N)(=O)=O)cc1C(=O)COc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.06429496
25482,COc1ccc(OCCc2ccc(SC)cc2)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.748755
25483,COc1cccc(COc2cccc3c2CN2CCc4cc(C)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5476587
25484,COc1cccc2c1CN1CCc3cc(C)c(OCc4cccc(Cl)c4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6306002
25485,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cc(Br)ccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82493466
25486,COc1ccccc1N1CCN(CCN2CCC(c3ccncn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79252344
25487,Cc1cc(OCCN2CCN(c3ccc(F)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.61449957
25488,Cc1cc(OCCN=S(C)(=O)O)ccc1ONc1ccccc1OCC(C)(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.034609158
25489,Cc1cn(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1C,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7489099
25490,ClC1CCN(CCN2CCN(c3ccccc3-c3cnc(-c4ccccc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7132951
25491,ClC1CCN(CCN2CCN(c3ccccc3CCc3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72568506
25492,Clc1ccccc1N1CCN(CCN2CCC(c3ccnc(-c4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85784036
25493,N#CC1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8912905
25494,N#COc1ccc(Cc2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8077347
25495,O=C(NCc1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1)c1cc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4609371
25496,O=C1N(c2ccccc2)CCN1C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72981185
25497,OC(c1ccc(F)cc1)C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8171323
25498,c1ccc(CCCCN2CCN(Cc3cccc(-c4ccccc4)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.8046281
25499,CC(=O)c1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1ccc(C)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.15750955
25500,CC1CC(=O)N(CCCN2CCN(Cc3cccc(F)c3)CC2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56725085
25501,CCCOc1ccc(OC(N)=O)c(CCCc2cccc3ccccc23)c1,[*]CCOc1ccc(O[*])c([*])c1,0.050302383
25502,CCCOc1ccc(ON2CCN(c3ccccc3OCCC)CC2)c(OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35057
25503,CCCOc1ccc(ONCCCc2ccccc2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09148856
25504,CCCOc1ccc(OOS(C)(=O)=O)c(NC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.034613542
25505,CCCOc1ccc(OS(C)(=O)=O)c(C(=O)COc2ccc(CCC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07657742
25506,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(CCc3ccc(F)cc3)C(=O)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2503287
25507,CCCOc1ccc(OS(N)(=O)=O)c(CN2CCC(c3ccc(SC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.51517487
25508,CCCOc1ccc(OS(N)(=O)=O)c(CN2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7698899
25509,CCCOc1ccc(OSC)c(CN2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.60605955
25510,CCCOc1ccc(O[SH](C)(=O)O)c(NCCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.082745
25511,CCOc1cccc(-c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5256543
25512,CCc1cc2c(cc1-c1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64369315
25513,COC(=O)C1Cc2ccccc2N1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5244663
25514,COC(=O)C1c2ccccc2CN1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6187426
25515,COC(C)=Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64701974
25516,COCCOc1ccc(OC)c(CNC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.02379491
25517,CON1CCN(CCNC(=O)c2ccc(C=O)c(-c3cccc(Cl)c3Cl)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33208218
25518,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(CO)c5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7492287
25519,COc1cc2c(cc1O)C1Cc3cccc(NC(=O)OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34224278
25520,COc1cc2c(cc1O)C1Cc3cccc(OCc4cc[nH]c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7153209
25521,COc1cc2c(cc1OC(C)=O)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50805837
25522,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(cccc3C(=O)Cc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48153502
25523,COc1ccc(OCCN2CCC(Cc3ccc4ccccc4c3)CC2)cc1C(C)N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5447594
25524,COc1ccc(OCCN2CCC(NC(=O)c3ccc(F)c(F)c3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5021416
25525,COc1ccc(OCCN=S(C)(=O)O)cc1CC(=O)Nc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.007474684
25526,COc1ccc(OCCNC(=O)c2ccc3c(c2)NC(=O)CC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10600975
25527,COc1ccc(OCCNC(C)=O)cc1NCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.027118677
25528,COc1ccc(OCCNCCc2ccccc2)cc1[SH](C)(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.19109145
25529,COc1ccc(OCCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.04535006
25530,COc1ccc(OCCNS(C)(=O)=O)cc1C(F)CCc1ccc2c(c1)CC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.1735024
25531,COc1ccc(OCCS(C)=O)cc1C(=O)COc1ccc2c(c1)NC(=O)CCC2,[*]CCOc1ccc(O[*])c([*])c1,0.18792553
25532,COc1cccc(C(O)c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.793277
25533,COc1cccc(CN2CCN(CCCCN3C(=O)CCCc4c(OC)cccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60603887
25534,COc1cccc(CN2CCN(Oc3ccc(OCCF)cc3C)CC2)c1SC,[*]CCOc1ccc(O[*])c([*])c1,0.4889373
25535,COc1ccccc1-c1cc(C(=O)NCCN2CCN(Cl)CC2)ccc1C(C)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.36400893
25536,CS(=O)(O)=NOc1ccc(OCCF)cc1CNCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.07514857
25537,CSCCOc1ccc(ONCc2ccccc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10039026
25538,CSOc1ccc(OCCN2CCN(c3ccc(OCC(F)(F)F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.7537993
25539,CSOc1ccc(OCCNCCc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.19737771
25540,Cc1cc(OCCN2CCC(c3noc4ccc(F)cc34)CC2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.702006
25541,Cc1ccccc1N1CCN(CCN2CCC(C(=O)C34CCC(CC3)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.57733124
25542,FCCOc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.88552314
25543,Fc1ccccc1N1CCN(CCN2CCC(c3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7223874
25544,O=C(O)c1cccc(CN2CCN(CCCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6841903
25545,O=C1CCc2ccc(CCCN3CCN(Cc4cccc(F)c4)CC3)cc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.71297556
25546,O=C1CCc2ccc(Cc3cccc(CN4CCN(CCCF)CC4)c3)cc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7389236
25547,O=c1sc2ccccc2cc1-c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5353399
25548,Oc1cc2c(cc1Cc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63872534
25549,Oc1ccc2ccc(Oc3cccc(CN4CCN(CCCOCCF)CC4)c3)cc2n1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61684585
25550,Oc1cccc2c1CN1CCc3cc(-c4ccccc4F)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6389843
25551,Oc1cccc2c1CN1CCc3cc(N=COc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61301714
25552,C=Cc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.82503295
25553,CC(=O)Cc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5485081
25554,CC(=O)Nc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40154076
25555,CC1CCN(CCN2CCN(c3ccccc3-c3nc(O)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7269341
25556,CCCOc1ccc(OCN2CCN(Cc3ccccc3OC)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4966258
25557,CCCOc1ccc(OCc2ccccc2)c(CNC(=O)c2ccc(OC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.050700735
25558,CCCOc1ccc(OF)c(CN2CCN(c3cccc(C(=O)NC)c3)C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15988204
25559,CCCOc1ccc(OOC)c(CC(=O)Nc2cccc(F)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0054804864
25560,CCCOc1ccc(OS(=O)(=O)c2ccccc2)c(N2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31232047
25561,CCCOc1ccc(OS(C)(=O)=O)c(CC(=O)COc2ccc3c(c2)NC(=O)CCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16832922
25562,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(CC(=O)c3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1587797
25563,CCc1ccc(S(=O)(=O)NOc2ccc(OCCF)cc2C)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05224565
25564,COC(=O)Nc1cccc(Cc2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35343453
25565,COC(=O)c1ccccc1N1CCN(CCN2CCC(C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6818842
25566,COC1CCN(CCN2CCN(c3ccccc3C(=O)NCCc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6528703
25567,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccc(-c4cccc(O)n4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4709867
25568,COCCCN1CCN(Cc2cccc(Cc3cccc(C)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55264825
25569,COCc1cc2c(cc1O)CCN1Cc3c(cccc3CN(C)C)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63049835
25570,CON1CCN(CCNC(=O)c2ccc(O)c(-c3cc(C)ccc3C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.20424499
25571,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccc(F)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3010071
25572,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1Cc1ccco1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26014343
25573,COc1cc2c(cc1-c1cc(CO)c3ccccc3c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6525844
25574,COc1cc2c(cc1OC)C1Cc3cccc(NC(=O)Nc4cccc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.27950695
25575,COc1ccc(Br)cc1-c1cccc(-c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7777742
25576,COc1ccc(C(=O)NCc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6740577
25577,COc1ccc(OCCC(=O)COc2ccc(CC(F)(F)F)cc2)cc1CN1CCN(C(C)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.16585478
25578,COc1ccc(OCCCN2CCCN(c3ccccc3OC)CC2)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.89438045
25579,COc1ccc(OCCN(C)C)cc1NC(=O)Cc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.008059672
25580,COc1ccc(OCCN2CCC(CCc3cccc(F)c3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.74858576
25581,COc1ccc(OCCN2CCN(c3cccc(C(F)(F)F)c3)CC2=O)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.34496588
25582,COc1cccc(CN2CCN(CCCC3CNc4ccccc4C3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6859654
25583,COc1cccc(CN2CCN(CCCCNS(=O)(=O)c3ccc4ccccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5648289
25584,COc1cccc(CN2CCN(CCCCn3ccc(-c4ccccc4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69124067
25585,COc1cccc(OCc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79517514
25586,COc1cccc2c1CN1CCc3cc(-c4ccc(C=O)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61713505
25587,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(OC)CC2)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3073966
25588,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc4cc(F)ccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.88695806
25589,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccsc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.89938086
25590,CS(=O)(=O)c1cc(OCCF)ccc1OCN1CCN(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.45156294
25591,CSOc1ccc(OCCNC(=O)CCc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.06684992
25592,Cc1cc(OCCC(F)CCc2ccc3c(c2)NC(=O)CC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1587958
25593,Cc1cc(OCCCC(C)Oc2ccc3c(c2)NC(=O)CC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.17883605
25594,Cc1cc(OCCF)ccc1ON1CCN(Cc2ccc(C(N)=O)o2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23911652
25595,Cc1cc(OCCN2CCC(Cc3ccc4ccccc4n3)CC2)ccc1ON=S(=O)(O)O,[*]CCOc1ccc(O[*])c([*])c1,0.48227736
25596,Cc1cc(OCCS(C)(=O)=O)ccc1ONCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.08527992
25597,Clc1cccc(CN2CCN(CCCc3cccc(-c4ccccc4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.75079715
25598,N#Cc1ccc(COc2cccc3c2CN2CCc4cc(O)c(Cl)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67875284
25599,O=c1cc(-c2ccccc2)occ1-c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56315833
25600,O=c1cc(CCCN2CCN(Cc3cccc(Cl)c3)CC2)c2ccccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66697174
25601,OCCCN1CCN(Cc2cccc(-c3cccs3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6854784
25602,Oc1c2ccccc2c(O)n1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8313297
25603,Oc1cc2c(cc1CC1CC1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7376068
25604,Oc1cc2c(cc1N=Cc1ccccc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65623057
25605,Oc1cc2ccccc2n1Cc1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70025355
25606,Oc1ccccc1CCCN1CCN(Cc2cccc(OCCF)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5626956
25607,CC(=O)c1ccc(C(=O)NOc2ccc(OCCCn3cccc3)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.04467969
25608,CC(=O)c1ccc(CC2CCN(Oc3ccc(OCCNS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.08303595
25609,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccccc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8085354
25610,CCCOc1ccc(OF)c(NC(=O)C2CCN(Cc3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20034596
25611,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCCC2COc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40512913
25612,CCCOc1ccc(OOC)c(CNCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19966942
25613,CCCOc1ccc(OOC)c(N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.77653533
25614,CCCOc1ccc(OS(C)(=O)=O)c(NCCCc2cccc3c2CCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1419496
25615,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(Oc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3309806
25616,CCCOc1ccc(OSC)c(NC(=O)COc2ccc(C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0059913713
25617,CNC(=O)CCOc1ccc(OC)c(N2CCC(Cc3ccc(F)cc3)C(O)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17833564
25618,COC(=O)c1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccccc1OC(C)C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30860746
25619,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccc(F)cn4)s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7184114
25620,COC1CCN(CCN2CCN(c3ccccc3-n3cc(-c4ccc(F)cc4)ccc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66673183
25621,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3cc4ccccc4nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.42838585
25622,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc(-c4ccc(Cl)cn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8601032
25623,COCCCN1CCN(Cc2cccc(NC3CCc4cccc(OC)c4C3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5702562
25624,COCCOc1ccc(ONCCCc2ccccc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11689585
25625,COOc1ccc(OCCCC(=O)c2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.07313439
25626,COc1cc2c(cc1O)C1Cc3cccc(CC(F)(F)F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8560372
25627,COc1cc2c(cc1O)C1Cc3cccc(OC(F)(F)c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77247185
25628,COc1cc2c(cc1O)C1Cc3cccc(OCC4CC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7812135
25629,COc1cc2c(cc1OC)C1Cc3cccc(CNOCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68074715
25630,COc1ccc(C(=O)NCCN2CCN(c3ccc(O)o3)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.48038387
25631,COc1ccc(C(=O)NCCN2CCN(c3cccc(C)c3[N+](=O)[O-])CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.65292776
25632,COc1ccc(C(=O)NCCN2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.5618816
25633,COc1ccc(C(F)(F)F)c(-c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5684398
25634,COc1ccc(Cc2cc3c(cc2OC)CCN2Cc4c(C)cccc4CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55099964
25635,COc1ccc(Cl)cc1S(=O)(=O)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.646897
25636,COc1ccc(OCCC(C)C)cc1NS(=O)(=O)c1cc(C(C)C)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.052266266
25637,COc1ccc(OCCF)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.85856444
25638,COc1ccc(OCCN2CCC(Oc3ccc(CC4CCCCC4)cc3)CC2)cc1SC(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.4654736
25639,COc1ccc(OCCN2CCCC(CCc3ccc(F)cc3)C2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.5536461
25640,COc1ccc(OCCOS(C)(=O)=O)cc1CN1CCC(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5974197
25641,COc1cccc(CCCN2CCN(Cc3cccc(C)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6544463
25642,COc1cccc(CN2CCN(CCCC3CCCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6994831
25643,COc1cccc(CN2CCN(CCCN3OCCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6548469
25644,COc1cccc(CN2CCN(CCCc3ccc4c(c3)NC(=O)C4)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.605356
25645,COc1ccccc1N1CCN(CCN2CCC(C(=O)NC(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8282903
25646,Cc1cc(OCCN2CCC(C(=O)c3ccccc3C)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.54330415
25647,Cc1cc(OCCN2CCC(Oc3ccc(F)cc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.4928097
25648,Cc1cc(OCCNC(=O)Cc2cccs2)ccc1ON1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.07920515
25649,Cc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55816805
25650,ClCCCN1CCN(Cc2cccc(Cc3nc4ccccc4s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68045294
25651,Clc1cccc(CN2CCN(CCCCc3ccc4occc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.73613703
25652,Fc1cccc(-c2ccnc(C3CCN(CCN4CCN(c5ccccc5C(F)(F)F)CC4)CC3)n2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7236411
25653,NCc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73797697
25654,O=C(NC1CCN(CCN2CCN(c3ccccc3F)CC2)CC1)c1ccccc1F,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67847973
25655,O=C(NCCN1CCN([N+](=O)[O-])CC1)c1ccc(Br)c(-c2ccccc2[N+](=O)[O-])c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33503526
25656,O=C1CCc2ccccc2N1c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.705351
25657,O=[N+]([O-])c1cccc(Cc2cccc3c2CN2CCc4cc(Cl)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43396178
25658,C=S(O)c1cc(OCCN2CCC(c3ccccc3)CC2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.6787097
25659,CC(=O)Nc1ccc(CC2CCN(CCOc3ccc(ON=S(C)(=O)O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.26257792
25660,CCCOc1ccc(OCCF)c(CN2CCCN(c3ccc(OC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7331162
25661,CCCOc1ccc(OCCc2ccccc2)c(CN2C=C(O)CCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29572198
25662,CCCOc1ccc(ON)c(N2CCC(c3cccc(OC)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.434738
25663,CCCOc1ccc(OOC)c(NS(=O)(=O)c2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08644889
25664,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)CCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0063213413
25665,CCOc1ccccc1N1CCN(CCN2CCC(c3cccc(F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8390689
25666,CCSOc1ccc(OCCNC(=O)COc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.052234642
25667,CN(C)C=Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7471634
25668,COC1CCN(CCN2CCN(c3ccccc3-c3cc(-c4cccc(F)n4)ccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82139766
25669,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3ccc(O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7134125
25670,COC1CCN(CCN2CCN(c3ccccc3Nc3nc(O)nc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4466943
25671,COCCCN1CCN(Cc2cccc(C3NCC(=O)N3c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5233371
25672,COCCOc1ccc(OC)c(C(O)COc2ccc3c(c2)CCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19582124
25673,CON=C(c1ccccc1)c1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69441366
25674,COOc1ccc(OCCc2ccc(F)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08589621
25675,COc1cc2c(cc1Cc1ccc(F)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71138257
25676,COc1cc2c(cc1O)CCN1Cc3c(CC4CC4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.81503654
25677,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)OCc3ccc(NC(C)=O)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32917944
25678,COc1cc2c(cc1OC)C1Cc3cccc(-c4cc([N+](=O)[O-])ccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5270581
25679,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)c4ccc5[nH]ccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48743397
25680,COc1cc2c(cc1OC)C1Cc3cccc(CNC(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66124845
25681,COc1cc2c(cc1OCc1ccc(F)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7546361
25682,COc1ccc(C)cc1-c1cc(C(=O)NCCN2CCN(C)CC2)ccc1N,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.21574637
25683,COc1ccc(OCCCS(=O)(=O)c2ccc(F)c(F)c2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.05640272
25684,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCC4)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.6295624
25685,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(Oc2ccc3c(c2)CCC(=O)NC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.34756362
25686,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(C(O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23782569
25687,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(Oc2ccc(CCCF)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.26365358
25688,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(O)CC2)cc1CO,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27021945
25689,COc1ccccc1N1CCN(CCN2CCC(n3cc(-c4c[nH]c5ccccc45)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83270264
25690,Cc1c(CCCN2CCN(Cc3cccc(Cl)c3)CC2)oc2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6732597
25691,Cc1cc(OCCF)ccc1ON1CCN(Cc2cccc(S(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.38400337
25692,Cc1cc(OCCN2CCC(Cc3ccc(OC4CCCC4=O)cc3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.46049058
25693,Cc1cc(OCCN2CCC(NC(=O)c3ccc(F)c(F)c3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4868598
25694,Cc1cc(OCCN2CCCC(Cc3ccc(OC4CCNCC4)cc3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.34275678
25695,Cc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1ccccc1OCF,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27612838
25696,Cc1cccc(-c2cc3c(cc2C)CCN2Cc4c(O)cccc4CC32)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6946975
25697,Cc1cccc(CN2CCN(CCCc3cc(-c4ccccc4)cs3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6302293
25698,Cc1ccccc1-c1cc(C(=O)NCCN2CCN(Cl)CC2)ccc1F,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30200034
25699,Clc1ccccc1N1CCN(CCN2CCC(n3cnc(-c4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8046305
25700,N[N+](=O)c1cccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.459915
25701,O=C(CCCCN1CCN(Cc2cccc(Cl)c2)CC1)c1nc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.73399985
25702,O=C(NCCCCN1CCN(Cc2cccc(F)c2)CC1)Nc1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.38069603
25703,O=C(Oc1ccc(F)cc1)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.63895506
25704,O=C(c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)C1CC1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54904515
25705,O=C1COc2ccccc2N1Cc1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49030373
25706,O=c1[nH]c2ccccc2cc1-c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62179893
25707,Oc1ccc(-c2ccccc2N2CCN(CCN3CCC(O)CC3)CC2)nc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6629674
25708,Oc1cccc2c1CN1CCc3cc(NOc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6287666
25709,CC(=O)COc1ccccc1NOc1ccc(OCCN=S(C)(=O)O)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.028408268
25710,CCCCOc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79444975
25711,CCCNCCOc1ccc(OC)c(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.107932754
25712,CCCOc1ccc(OCCc2ccccc2)c(COc2ccccc2OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1449694
25713,CCCOc1ccc(OF)c(CN2CCC(C(=O)N3c4ccccc4CC3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.51870453
25714,CCCOc1ccc(OF)c(CN2CCN(CC(=O)OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20660555
25715,CCCOc1ccc(ON)c(CCNc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.059292406
25716,CCCOc1ccc(OS(=O)(=O)NC)c(NCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07503351
25717,CCCOc1ccc(OS(N)(=O)=O)c(C2CCN(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11939046
25718,CCCOc1ccc(OS(N)=O)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.077615894
25719,CCCOc1ccc(OSC)c(CNC(c2ccccc2)c2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16864541
25720,CCOC(=O)c1cc2c(cc1Br)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4057078
25721,CCOc1cc(OCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.85836875
25722,CCOc1ccc2c(c1CCOc1cc(OCCS(N)(=O)=O)ccc1OC)CCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.1827997
25723,CCOc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3cc4ccccc4nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6963104
25724,COCCCN1CCN(Cc2cccc(CNS(=O)(=O)c3ccc(F)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.45555598
25725,COCCOc1ccc(OC)c(N2CCCC(C(=O)c3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1888926
25726,COc1cc2c(cc1C)CCN1Cc3c(Cc4ccc(N(C)C)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6477163
25727,COc1cc2c(cc1CC1CCCCC1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6451151
25728,COc1cc2c(cc1O)C1Cc3cccc(N=Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77425575
25729,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cc(CO)ccc3C#N)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69026047
25730,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cccc(OC(C)C)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48080918
25731,COc1cc2c(cc1OCc1cccs1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6891974
25732,COc1cc2c(cc1Oc1ccc(CO)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7149796
25733,COc1ccc(CCCN2CCN(Cc3cccc(C)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6012977
25734,COc1ccc(COC(=O)c2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48771894
25735,COc1ccc(OCCC2(F)CCCC(NC(=O)c3ccccc3)C2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.08344892
25736,COc1ccc(OCCCN2CCC(c3ccccc3C)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.68893385
25737,COc1ccc(OCCCNS(=O)(=O)c2ccc(C(C)C)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07109344
25738,COc1ccc(OCCF)cc1N1CCC(NC(=O)c2ccc3ccccc3c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.23069403
25739,COc1ccc(OCCF)cc1N1CCN(c2ccccc2OC(C)C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4521663
25740,COc1ccc(OCCN2CCCC(Cc3cccs3)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5093223
25741,COc1ccc(OCCNC(C)=O)cc1CN1CCN(c2ccccc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.48940688
25742,COc1ccc(OCCNCC2CCc3cc(OC)c(OC)cc3C2)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.291401
25743,COc1ccc(OCCNS(C)(=O)=O)cc1NC(=O)COc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.00798105
25744,COc1ccc(OCCS(C)(=O)=O)cc1NCC(C)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.081166945
25745,COc1ccc(OCCc2ccc(C(C)=O)cc2)cc1CN1CCC(C)(O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.31665298
25746,COc1ccccc1-c1cc(C(=O)NCCN2CCN(C)CC2)ccc1N=S(C)(=O)O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29492542
25747,COc1ccccc1N1CCN(CCN2CCC(CNC(=O)C3CCCCC3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79235494
25748,COc1ccccc1N1CCN(c2cc(OCCCl)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.42272958
25749,Cc1cc(OCCCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.67768645
25750,Cc1cc(OCCCl)ccc1ON1CCN(Cc2ccc3ccccc3c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5536864
25751,Cc1cc(OCCN2CCC(CCc3ccccc3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.6763881
25752,Cc1cc(OCCN2CCC(NS(=O)(=O)c3cc(Cl)ccc3F)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.60616887
25753,Cc1cc(OCCN2CCC(c3coc4ccccc34)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6458613
25754,Cc1cc(OCCN2CCOC(Cc3ccc(F)cc3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.35738134
25755,Cc1cc(OCCNCc2ccc(F)cc2)ccc1OCS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16520673
25756,Cc1cc2c(cc1O)C1Cc3cccc(-c4ccc(CO)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5597989
25757,N#Cc1cc2c(cc1-c1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69977224
25758,N#Cc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccccc4)no3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82705194
25759,O=Cc1cccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5719753
25760,Oc1cc(C2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)c2ccccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7644709
25761,Oc1cc2c(cc1O)C1Cc3cccc(OCC4CC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7719174
25762,Oc1cccc2c1CN1CCc3cc(C=Nc4cccc5ccccc45)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7034161
25763,CCCOc1ccc(OC(O)Cc2ccc(F)cc2)c(CCNC=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.059830885
25764,CCCOc1ccc(OC)c(CNC(=O)c2ccc(C=O)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.025362339
25765,CCCOc1ccc(OC2CCN(CCc3ccccc3)CC2)c(CS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7017793
25766,CCCOc1ccc(OCOCC)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10050555
25767,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(Oc3ccc(CCCF)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22914213
25768,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(c3ccc4c(c3)NC(=O)CCC4)C(=O)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31128454
25769,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCCC(Cc3ccc4c(c3)NC(=O)CC4)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28204387
25770,CCCOc1ccc(ONS(C)(=O)=O)c(NCc2ccc(OC3CCCCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12655786
25771,CCCOc1ccc(OS(C)(=O)=O)c(C(=O)COc2ccc3c(c2)CCCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20274147
25772,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(CCc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26047578
25773,CCOc1cc2c(cc1OC)CCN1Cc3c(cccc3OCc3ccco3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6224139
25774,CCOc1ccccc1C(=O)Nc1cc(OCCNC)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.024363166
25775,CCOc1ccccc1N1CCN(CCOc2ccc(OC)c(SC)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.77273774
25776,COC(=O)CCOc1ccc(ON2CCCN(c3ccccc3OC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17685133
25777,CON1CCN(CCNC(=O)c2ccc(N)c(-c3cccc(C)c3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3400772
25778,COc1cc(C2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)ccc1O,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78788316
25779,COc1cc2c(cc1-c1ccc(C)c(O)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7095839
25780,COc1cc2c(cc1COc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.769022
25781,COc1cc2c(cc1Cc1cccc3ccccc13)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.754222
25782,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc5c(O)cccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7046377
25783,COc1cc2c(cc1O)C1Cc3cccc(COCCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74955004
25784,COc1cc2c(cc1O)CCN1Cc3c(Cc4cccc(Cl)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6237299
25785,COc1ccc(C(=O)NCCN2CCN(F)CC2)cc1-c1cc(C)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.18667929
25786,COc1ccc(OCCC(=O)COc2ccc(C(F)(F)F)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.02498662
25787,COc1ccc(OCCC(C)C)cc1N1CCN(CC(=O)N2c3ccccc3CCC2C)C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.22135447
25788,COc1ccc(OCCF)cc1CSCc1ccc(OC)c(C(=O)NS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.032752916
25789,COc1ccc(OCCN2CCCC(CCc3ccccc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5601859
25790,COc1ccc(OCCNCCc2cccc3nc(C)ccc23)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.14681956
25791,COc1ccc(OCCOS(C)(=O)=O)cc1N1CCCC(COc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.325353
25792,COc1ccc(OCCS(=O)(=O)CCc2ccc(F)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.09439244
25793,COc1ccc(OCCS(C)(=O)=O)cc1C(C)COc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.19083838
25794,COc1ccc(OCCSC)cc1N1CCC(c2ccco2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.32175797
25795,COc1cccc(CN2CCN(CCCC(=O)N3CCCCC3c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.44159558
25796,COc1cccc(CN2CCN(CCCCOC(=O)C3CCc4ccccc4C3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56173754
25797,COc1cccc(CN2CCN(CCCN3C(=O)CC4CCCCCC4C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53446996
25798,COc1cccc(CN2CCN(CCCc3c(O)[nH]c4ccccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56631833
25799,COc1cccc2c1CCCCC1CCN(Oc3ccc(OCCN=S(C)(=O)O)cc3C)CC21,[*]CCOc1ccc(O[*])c([*])c1,0.16846278
25800,COc1cccc2ccc(C(=O)NC3CCN(CCN4CCN(c5ccccc5C)CC4)CC3)cc12,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6931676
25801,COc1ccccc1N1CCN(CCN2CCC(C(=O)NC3CCCc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80534416
25802,COc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccc(Cl)cc4)nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79988503
25803,COc1ccccc1N1CCN(COc2ccc(OCCC(N)=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5575074
25804,Cc1cc(OCCN2CCC(=O)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.45686945
25805,Cc1cc(OCCN2CCC(Cc3ccc4ccccc4c3)NC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.547672
25806,Cc1cc(OCCN2CCN(CCN3Cc4ccccc4C3)C2=O)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5961607
25807,Cc1cc(OCCNC(=O)OC2=CC3=CC=CC=CCSC(=C3)C=C2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.035648268
25808,Cc1cc(OCCNCc2cccs2)ccc1OCNS(=O)(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.121634945
25809,Cc1cc(OCCNS(=O)(=O)Cc2ccc(F)cc2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.078962706
25810,Cc1cc(OCCNS(C)(=O)=O)ccc1OCOc1ccc2c(c1)CC(C=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.34326404
25811,ClC1CCN(CCN2CCN(c3ccccc3Oc3ccc4ncsc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8055071
25812,O=C(C#Cc1ccccc1)C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7737726
25813,O=c1cc(-c2ccccc2)sn1Cc1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5031675
25814,OCc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7430443
25815,CC(=O)NC1=CCC(CCCN2CCN(Cc3cccc(Cl)c3)CC2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48160422
25816,CC(C)(C)NCCOc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6695624
25817,CC1CCN(CCN2CCN(c3ccccc3-c3cnc(-c4ccccc4)s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6488428
25818,CCCOc1ccc(OC)c(N2CCC(CCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39101693
25819,CCCOc1ccc(OCN2CCCN(c3ccccc3OCC)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.63903135
25820,CCCOc1ccc(ON2CCCC(c3ccccc3)C2)c(OCC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15051112
25821,CCCOc1ccc(ON2CCN(C(C)=O)CC2)c(N2CCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.068314426
25822,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(Cc3ccc4ccccc4n3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2968095
25823,CCCOc1ccc(OOC2CCN(Cc3ccccc3OC)CC2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4542264
25824,CCCOc1ccc(OS(C)(=O)=O)c(C(=O)COc2ccccc2C(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.039517306
25825,CCCOc1ccc(OS(N)(=O)=O)c(N2CCCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2213417
25826,CCCOc1ccc(O[SH](C)(C)=O)c(N2CCC(Oc3ccc4c(c3)NC(=O)CCC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.47393566
25827,CN(O)c1ccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7233529
25828,CNCCOc1ccc(OC)c(N2CCC(c3ccccc3F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3460756
25829,COC1CCN(CCN2CCN(c3ccccc3COc3ccc(-c4ccc(F)cc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7394029
25830,COC1CCN(CCN2CCN(c3ccccc3S(=O)(=O)c3cc(Cl)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64442545
25831,COCCCN1CCN(Cc2cccc(C3(C)C(=O)Nc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49098718
25832,COCCCN1CCN(Cc2cccc(Oc3cccc4nc(O)ccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5976695
25833,COCCOc1ccc(OC)c(CCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16313809
25834,COCCOc1ccc(ONCc2ccc(F)cc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.070787296
25835,COc1cc2c(cc1O)CCN1Cc3c(C=[N+](O)c4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76853096
25836,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(OCc5ccc6c(c5)CCC(=O)N6)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48810473
25837,COc1cc2c(cc1OC)C1Cc3cccc(CC(=O)N(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53761977
25838,COc1ccc(-c2cc(C(=O)NCCN3CCN(Cl)CC3)ccc2C)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.25663912
25839,COc1ccc(-c2ccccc2N2CCN(CCN3CCC(O)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7358533
25840,COc1ccc(C(=O)NCCN2CCN(O)CC2)cc1-c1cccc(C)c1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.22575757
25841,COc1ccc(OCCCN2CCC(c3ccccn3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.72769314
25842,COc1ccc(OCCF)cc1CNC(=O)C1CCN(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.40612915
25843,COc1ccc(OCCN2CC=C(c3ccccc3)C2=O)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.12601413
25844,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1N=CN1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.09776529
25845,COc1ccc(OCCSC)cc1N1CCN(c2ccccc2OCCF)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3986343
25846,COc1ccc2c(C3CCN(CCN4CCN(c5ccccc5OC)CC4)CC3)cc(O)nc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74971455
25847,COc1ccccc1N1CCN(CCN2CCC(C3CCc4ccc(O)cc4C3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78807867
25848,CSCCOc1ccc(ON2CCC(Cc3ccccc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33524245
25849,CSc1cccc(C2CCN(CCOc3ccc(OS(=O)(=O)O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6364623
25850,Cc1cc(OCCF)ccc1ON1CCN(Cc2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5274442
25851,Cc1cc(OCCN2CCC(c3cc4ccccc4s3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.7283027
25852,Cc1cc(OCCNC(=O)Cc2ccccc2)ccc1OC(=O)N(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.017191816
25853,Cc1cc(OCCOC2CCCC=C2c2ccccc2)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.20073342
25854,Cc1ccc(OC(C)CCOc2ccc(ON=S(C)(=O)O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.059714638
25855,Cc1cccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2[N+](=O)[O-])c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.23498349
25856,ClC1CCN(CCN2CCN(c3ccccc3Oc3ccc(-c4ccccn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8020718
25857,Fc1cccc(CN2CCN(CCCCc3ccc(-c4ccccc4)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7551795
25858,N#COc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74548435
25859,N#Cc1ccc(Oc2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7359293
25860,NC(=O)c1cccc(CCCCN2CCN(Cc3cccc(Cl)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65507966
25861,O=C(NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)c1ccc(O)nc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77561426
25862,O=C(NCC1CCN(CCN2CCN(c3ccccc3F)CC2)CC1)c1ccccc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69411755
25863,Oc1cc2c(cc1C1CCCC1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.585363
25864,Oc1ccc(Cc2cccc(CN3CCN(CCCCl)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59470147
25865,Oc1ccc(F)c(C2CCN(CCN3CCN(c4ccccc4F)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69357157
25866,Oc1ccc2cccc(Oc3ccccc3N3CCN(CCN4CCC(O)CC4)CC3)c2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65290666
25867,Oc1cccc2c1CN1CCc3cc(OCCF)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7676563
25868,C#Cc1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7270641
25869,CC1(c2cccc(CN3CCN(CCCCl)CC3)c2)Cc2ccccc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6323523
25870,CCCNc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52189994
25871,CCCOc1ccc(OF)c(CN2CCN(c3ccc(C)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.54145867
25872,CCCOc1ccc(ON2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.49719253
25873,CCCOc1ccc(ONC)c(CN2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6718841
25874,CCCOc1ccc(ONS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c(N2CCCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12841499
25875,CCCOc1ccc(OOC)c(CNC(=O)c2cc3ccccc3o2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03208812
25876,CCCOc1ccc(OOCC)c(N2CCN(CCc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7536323
25877,CCCOc1ccc(OS(C)(=O)=O)c(CC2CCN(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.58755463
25878,CCCOc1ccc(OS(C)(=O)=O)c(CCCc2ccc(OC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10336847
25879,CCCOc1ccc(OS(N)(=O)=O)c(-c2cc(C3CCCc4ccccc43)no2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25680703
25880,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(Oc3ccc(CCCF)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22079088
25881,CCCOc1ccc(O[N+](=O)[O-])c(N2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21464096
25882,CCOc1cc2c(cc1OC)CCN1Cc3c(C=Cc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6659403
25883,COC1CCN(CCN2CCN(c3ccccc3-c3cc(-c4ccccc4)n(C)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7437801
25884,COC1CCN(CCN2CCN(c3ccccc3-c3ccno3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7950267
25885,COC1CCN(CCN2CCN(c3ccccc3CCc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8142121
25886,COCCCN1CCN(Cc2cccc(C3=CC=C4C=CC=CC=C3S4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5158103
25887,COCCCN1CCN(Cc2cccc(C=Cc3cccnc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.44144672
25888,COCCOc1ccc(OC)c(N2CCCC(Oc3ccc(C4CCCCC4)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24999832
25889,COOc1ccc(OCCN2CCN(c3ccccc3OC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.8062867
25890,COc1cc2c(cc1C(=O)c1cccc([N+](=O)[O-])c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32453588
25891,COc1cc2c(cc1O)C1Cc3cccc(-c4cccc(COc5ccccc5)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62460524
25892,COc1cc2c(cc1O)CCN1Cc3c(Cc4c(CO)ccc5ccccc45)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.762286
25893,COc1cc2c(cc1O)CCN1Cc3c(cccc3C[N+](O)c3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.80116236
25894,COc1cc2c(cc1OC)C1Cc3cccc(OCc4ccc(C(F)(F)F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7289556
25895,COc1ccc(OCCCCCOc2ccccc2C)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09249658
25896,COc1ccc(OCCCS(=O)(=O)Cc2ccc(F)cc2F)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10833085
25897,COc1ccc(OCCN2CCN(CC(=O)c3cc4ccccc4s3)CC2)cc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.4220744
25898,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(Cc2ccccc2OC2CCCC2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20909932
25899,COc1ccc(OCCNCc2cccc3ncccc23)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16862467
25900,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCCC(Cc2ccc(OC3CCNCC3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.21884109
25901,COc1ccc([N+](=O)[O-])cc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.21139555
25902,COc1cccc(C(O)c2ccccc2N2CCN(CCN3CCC(C)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7252241
25903,COc1cccc(C2CCN(CCOc3ccc(OC)c(SC)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.76816887
25904,COc1cccc(COc2ccc(OCCN3CCN(C)CC3)cc2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.48589224
25905,COc1cccc2c1CN1CCc3cc(OSc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6991069
25906,COc1ccccc1N1CCN(CCN2CCC(Cc3cccc4nc(O)ccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78277695
25907,COc1ccccc1N1CCN(CCN2CCC(c3ncccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8774895
25908,COc1ccccc1N1CCN(CCOc2ccc(OCc3ccccc3)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8510713
25909,Cc1cc(OCCN2CCC(Cc3ccc(Cl)cc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5925739
25910,Cc1cc(OCCN2CCC(c3cccc(C(F)(F)F)c3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6630764
25911,Cc1cc(OCCN2CCN(C)CC2)ccc1ONC(=O)c1csc2ccccc12,[*]CCOc1ccc(O[*])c([*])c1,0.28934634
25912,Cc1cc(OCCNS(C)(=O)=O)ccc1OOC1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.13032845
25913,Cc1cc(OCCOS(C)(=O)=O)ccc1OOC1CCN(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.51116025
25914,Cc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1nsc2ccccc12,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.24391839
25915,N#Cc1cc2c(cc1OC1CCCC1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7478738
25916,O=C(CCc1ccccc1)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4708894
25917,O=C(OCc1ccccc1)Oc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4973053
25918,O=S(=O)(c1ccccc1)c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.50163215
25919,O=c1ccc2ccc(-c3cccc(CN4CCN(CCCF)CC4)c3)cc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69438076
25920,Oc1cc2c(cc1CN1CCCCC1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5463843
25921,Oc1nc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)n2ccccc12,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69172335
25922,CC(=O)N1CCN(COc2ccc(OCCF)cc2C)Cc2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.30231032
25923,CC(=O)c1ccc(S(=O)(=O)NCCOc2ccc(ONC3CCCCC3)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.036014754
25924,CCC(C)(C)Oc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.86485183
25925,CCCOc1ccc(ON2CCN(c3ccccc3OC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31244564
25926,CCCOc1ccc(OS(C)(=O)=O)c(CCCc2ccc(C3CCC(C)=NC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20962147
25927,CCCOc1ccc(OS(N)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0714601
25928,CCOc1ccccc1N1CCN(CCN2CCC(Cc3cc(O)nc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6741144
25929,CCOc1ccccc1N1CCN(Cc2cc(OCCOC)ccc2OF)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.80633867
25930,CCOc1ccccc1NCc1cc(OCCOC)ccc1OF,[*]CCOc1ccc(O[*])c([*])c1,0.08166957
25931,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccc(Cl)cc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7807519
25932,COCCCN1CCN(Cc2cccc(-c3ccc(S)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5803492
25933,COCCCN1CCN(Cc2cccc(C3=NC(=O)CC(C)(C)C3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5344003
25934,COCc1ccc(-c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6350606
25935,COOc1ccc(OCCNC(=O)Cc2ccc3c(c2)CCC(=O)C3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.052320242
25936,COOc1ccc(OCCNC(=O)c2ccc3c(c2)CCCC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.06584467
25937,COc1cc(C(=O)NCCN2CCN(c3cc(C)ccc3OC)CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.55506366
25938,COc1cc2c(cc1C=[N+](O)c1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73815846
25939,COc1cc2c(cc1O)CCN1Cc3c(cccc3OC(C)Cc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69698477
25940,COc1cc2c(cc1OC)C1Cc3cccc(NC4CCCCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45324945
25941,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(-c4ccc(F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65206116
25942,COc1ccc(Nc2cc3c(cc2OC)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52827275
25943,COc1ccc(OCCC(=O)COc2ccccc2)cc1CN(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.027673898
25944,COc1ccc(OCCCN2CCC(Oc3ccc(CC4CCCCC4)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.52094775
25945,COc1ccc(OCCCSCc2ccccc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09714412
25946,COc1ccc(OCCF)cc1CC(=O)Nc1cccc(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0074289357
25947,COc1ccc(OCCN2CCC(NC(C)=O)CC2)cc1NS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.5370958
25948,COc1ccc(OCCN2CCCC(CCc3ccc(F)cc3)C2)cc1OC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.36856827
25949,COc1ccc(OCCN=S(C)(=O)O)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.054694407
25950,COc1ccc(OCCN=S(C)(=O)O)cc1OCc1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06565615
25951,COc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.012896817
25952,COc1ccc(OCCNS(C)(=O)=O)cc1NS(=O)(=O)c1ccc(CC(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.052732766
25953,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(CCc2ccc3c(c2)NC(=O)C(=O)C3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3061058
25954,COc1ccc(OCCSC)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.102610625
25955,COc1ccc2c(c1)CC(CNCc1cc(OCCCF)ccc1OC)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.54956883
25956,COc1ccc2c(c1)N(CCOc1ccc(OS(C)(=O)=O)c(C)c1)CC(O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.26674518
25957,COc1cccc(COCc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7735509
25958,COc1cccc2cc(C(=O)CCCN3CCN(Cc4cccc(Cl)c4)CC3)oc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5118723
25959,COc1ccccc1N1CCN(CCN2CCC(CNC(=O)Oc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8422396
25960,Cc1cc(OCCC(=O)c2ccc(F)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.013836408
25961,Cc1cc(OCCCOCc2ccccc2)ccc1ON1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.2031155
25962,Cc1cc(OCCN2CCC(Oc3ccccc3C3CCCNC3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.55279106
25963,Cc1cc(OCCN2CCC(c3ccccc3C=O)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.6381763
25964,Cc1cc(OCCN=S(C)(=O)O)ccc1OCCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.11352066
25965,Cc1cc(OCCNS(=O)(=O)c2ccc(F)c(F)c2)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.036957625
25966,Cc1cc(OCCOC(C)COc2ccccc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.05726614
25967,Clc1cccc(CN2CCN(CCCc3nccs3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6788729
25968,FC(F)(F)c1cccc(CN2CCN(CCCC3OCCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6071333
25969,Fc1ccc(OC2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77826655
25970,O=C(CCCN1CCN(Cc2cccc(F)c2)CC1)c1cc2ccccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67396367
25971,O=C1c2ccccc2CCN1CCCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.83438694
25972,OCc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58310175
25973,Oc1cc(-c2cccnc2)cn1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6746729
25974,Oc1ccc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8152591
25975,Oc1cccc2c1CN1CCc3cc(-c4cccs4)c(Br)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6955179
25976,CC(=O)Nc1cccc(CC2CCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2582891
25977,CC1(C)c2ccccc2N1C(=O)c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.437584
25978,CC1CCN(CCN2CCN(c3ccccc3Oc3cccc4ccc(O)nc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6090452
25979,CCCOc1ccc(ONC)c(N2CCC(CCc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.44285107
25980,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCCC(c3ccc(OCC(F)(F)F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23721327
25981,CCCOc1ccc(OS(N)(=O)=O)c(CC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04659469
25982,CCN1CCC(Cc2ccc(F)cc2)CC1c1cc(OCCS(C)(=O)=O)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.22350954
25983,CCOc1cccc(-c2cccc(CN3CCN(CCCOC)CC3)c2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.571818
25984,CCOc1ccccc1N1CCN(CCN2CCC(c3ccco3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76908
25985,CCc1cc2c(cc1-c1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6695004
25986,CCc1cccc2c1CCN(Oc1ccc(OCCNS(C)(=O)=O)cc1C)CO2,[*]CCOc1ccc(O[*])c([*])c1,0.1729432
25987,CN(C(=O)C=Cc1ccccc1)c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.52306587
25988,CN(C)c1ccc(CCc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7922541
25989,CNCCOc1ccc(OC)c(C2CCCC(Cc3ccc4c(c3)CNC(=O)C4)C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2005425
25990,COC1CCN(CCN2CCN(c3ccccc3NS(=O)(=O)c3c(O)nc4ccccc4c3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.40797073
25991,COCCCN1CCN(Cc2cccc(C3c4ccccc4C(=O)N3c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5493101
25992,COCCOc1ccc(OC)c(N2CCC(C(F)c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33200997
25993,COCCOc1ccc(OC)c(NS(=O)(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.037880797
25994,COCc1cc2c(cc1OCc1ccc(OC)cc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77198327
25995,COOc1ccc(OCCNC(=O)COc2ccc3ccccc3c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.016962549
25996,COc1cc2c(cc1OC(=O)c1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4762067
25997,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)c4c(C#N)ccc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.499982
25998,COc1cc2c(cc1OC)C1Cc3cccc(OC(=O)Nc4ccc(C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.29024708
25999,COc1cc2c(cc1OC)C1Cc3cccc([N+](=O)Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6561683
26000,COc1ccc(C(=O)NCCN2CCN(O)CC2)cc1-c1ccccc1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35606167
26001,COc1ccc(OCCCCc2cccs2)cc1S(=O)(=O)Cc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.15184943
26002,COc1ccc(OCCCNCc2ccccn2)cc1-c1cccc(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16519643
26003,COc1ccc(OCCN2CCC(C(=O)c3ccccc3C)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4609996
26004,COc1ccc(OCCN2CCC(c3ccc(F)cc3)CC2C)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.5492081
26005,COc1ccc(OCCN2CCN(c3ccc(F)cc3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6202005
26006,COc1ccc(OCCNC(=O)Cc2cccs2)cc1C1CCN(S(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.06336778
26007,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Cc2ccc(OC3CNC(=O)C3C)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2726793
26008,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(c2ccc(SC)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27837202
26009,COc1cccc(CC2CCN(CCOc3ccc(OC)c(S(C)(=O)=O)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5954638
26010,COc1cccc(CNC(=O)C2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5835455
26011,COc1cccc2c1CN1CCc3cc(OC(=O)C(F)(F)F)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50576067
26012,COc1ccccc1C1CCN(Oc2ccc(OCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.39632788
26013,COc1ccccc1N1CCN(CCN2CCC(c3nc(-c4ccccc4)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83967924
26014,COc1ccccc1N1CCN(Oc2ccc(OCCSCc3ccc(OCCF)cc3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2881952
26015,CS(=O)(=O)NOc1ccc(OCCF)cc1CN1CCC(Cc2ccc3c(c2)NC(=O)CCS3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.37109727
26016,Cc1cc(OCCN2CCCC(C(=O)c3ccc(F)cc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.57048315
26017,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCN(c2ccccn2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18259364
26018,Cc1cc(OCCNC(=O)c2ccc(OC3CCNCC3)cc2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.057218887
26019,Cc1cc(OCCNCCc2ccc(OC3CCNCC3)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.16881001
26020,Cc1ccc(OC2CCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.4373629
26021,O=C1N(Cc2cccc(CN3CCN(CCCCl)CC3)c2)CCN1c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61240524
26022,O=c1c2ccccc2ccn1CCCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62210155
26023,Oc1cc2c(cc1-c1c[nH]c3ccccc13)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6549003
26024,Oc1cc2c(cc1-c1ccn[nH]1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6032431
26025,CC(C)(C)OC(=O)NCCc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48116523
26026,CCCNc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47843197
26027,CCCOc1ccc(OCCOc2ccc(C(=O)NC)cc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.029511336
26028,CCCOc1ccc(OOC)c(CC(=O)Nc2ccccc2F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0077420007
26029,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)Cc2ccc(C3CCCCN3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04101082
26030,CCCc1cc2c(cc1-c1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6664852
26031,CCOc1ccccc1N1CCC(c2cc(OCCOC)ccc2OF)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.34078506
26032,COCCCN1CCN(Cc2cccc(-c3cc4c(OC)cccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53567815
26033,COCCCN1CCN(Cc2cccc(-c3cc4ccccc4nc3O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5588353
26034,COCCCN1CCN(Cc2cccc(Cc3ccc4c(c3)NC(=O)c3ccccc3SC4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6637003
26035,COCCCN1CCN(Cc2cccc(Oc3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59114057
26036,COc1cc2c(cc1NC(=O)Nc1c(Cl)cccc1Cl)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42766854
26037,COc1cc2c(cc1O)C1Cc3cccc(C#Cc4ccccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.86884415
26038,COc1cc2c(cc1O)CCN1Cc3c(cccc3OC(=O)CSc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40278158
26039,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3cccc(C(N)=O)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5488457
26040,COc1cc2c(cc1OCc1ccc(C(C)(C)C)cc1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62974155
26041,COc1ccc(-c2cc3c(cc2O)C2Cc4cccc(Cc5ccccc5)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7142574
26042,COc1ccc(C(=O)NCCN2CCN(O)CC2)cc1-c1cccc2nc(O)oc12,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.298686
26043,COc1ccc(COc2cc3c(cc2O)C2Cc4cccc(Cc5ccccc5)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6782277
26044,COc1ccc(OCCF)cc1NS(=O)(=O)c1ccc(CCN2CCCCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.22171502
26045,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC(C)C4)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5797734
26046,COc1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.51742744
26047,COc1ccc(OCCN2CCC(Nc3cccc(C(F)(F)F)c3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4617706
26048,COc1ccc(OCCN2CCC(c3coc4ccccc34)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.58862185
26049,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1OCC(=O)N1CCC(C)Cc2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.20857607
26050,COc1ccc(OCCNC(C)=O)cc1C(=O)NCc1ccc(S(C)(=O)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.042704366
26051,COc1ccc(OCCNC(C)=O)cc1N1CCC(Cc2ccc3c(c2)NC(=O)CCC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27003092
26052,COc1ccc(OCCS(C)(=O)=O)cc1-c1c(CCC2CCCCC2)ccc2c1CC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.30215582
26053,COc1ccc(OCCc2ccc(C(C)C)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.09771481
26054,COc1ccc(OCCc2ccc(OCCF)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.068654634
26055,COc1cccc(CN2CCN(CCCCn3c4ccccc4c(=O)n3-c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6256276
26056,COc1cccc2c1CN1CCc3cc(C)c(-c4c(OC)cccc4OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71301806
26057,COc1cccc2c1CN1CCc3cc(Cc4ccccc4C)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73058105
26058,COc1ccccc1N1CCN(CCN2CCC(Oc3cc4ccccc4nc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.90917134
26059,COc1ccccc1N1CCN(CCN2CCC(n3c(O)nc4cc(Cl)ccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8658594
26060,COc1ccccc1NC(=O)c1cc(OCCCCNC(=O)c2cccc(C)c2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.014366588
26061,COc1ccccc1NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.51735574
26062,C[N+](=O)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6845329
26063,Cc1cc(OCCF)ccc1ON1CCC(Oc2ccc(Cl)cc2NS(C)(=O)=O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.21951653
26064,Cc1cc(OCCN2CCC(Oc3ccc(CC4CCCCC4)cc3)CC2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4598039
26065,Cc1cc(OCCN2CCCC(Cc3ccc4c(c3)CCC(=O)N4)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3802867
26066,Cc1cc(OCCN2CCN(Cc3cc4ccccc4o3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.57853353
26067,Cc1cc(OCCN2CCN(Cc3cccs3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.39679024
26068,Cc1cc(OCCN2CCOCC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13557817
26069,N#Cc1cc([N+](=O)[O-])ccc1-c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47884098
26070,O=C(Cc1ccccc1)NCc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.30091777
26071,O=C(O)c1cccc(CN2CCN(CCCCc3cc4ccccc4s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67506325
26072,Oc1cc2c(cc1O)C1Cc3cccc(Cc4ccco4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6506775
26073,Oc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(OC(F)(F)F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.752453
26074,Oc1cc2ccccc2n1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73215425
26075,C=CCc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77005804
26076,CCCOc1ccc(OC)c(S(=O)(=O)NC(=O)c2ccc(C(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.030505577
26077,CCCOc1ccc(ONS(C)(=O)=O)c(C2CCN(c3ccc(OCC(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1989782
26078,CCCOc1ccc(OOC)c(CN2CCCN(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.77058333
26079,CCCOc1ccc(OOC)c(N2CCCN(c3ccc(F)cc3)C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18279508
26080,CCCOc1ccc(OS(C)(=O)=O)c(NCCc2cccc(F)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.077091545
26081,CCCOc1ccc(OS(N)(=O)=O)c(N2CCCC(Oc3ccc(CC4CCCC4)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1673139
26082,CCOCCCN1CCN(Cc2cccc(NC(=O)c3cccc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.35381597
26083,CCON=Cc1cc2c(cc1C)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6047226
26084,CCOc1c(F)cccc1-c1cc(OCCC(N)=O)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.025635896
26085,CCOc1ccccc1N1CCN(CCN2CCC(Cc3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77920103
26086,COC(=O)Nc1ccc(-c2cc3c(cc2OC)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.30830356
26087,COC1CCN(CCN2CCN(c3ccccc3-c3cc(Cl)ccc4nc(O)nc3-4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6627356
26088,COC1CCN(CCN2CCN(c3ccccc3CC(=O)NCc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70436597
26089,COCCCN1CCN(Cc2cccc(Sc3ccc(F)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64875436
26090,CON1CCN(CCNC(=O)c2ccc(C(C)=O)c(-c3ccccc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.38984525
26091,COOc1ccc(OCCCc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.13138585
26092,COOc1ccc(OCCN2CCC(NS(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5960175
26093,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cc(C)c[nH]3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6274509
26094,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc4ccc(CO)cc4c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5864655
26095,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(C)cc4C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6220165
26096,COc1cc2c(cc1Oc1ccc3ccccc3c1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7493398
26097,COc1ccc(C(=O)NCCN2CCN([N+](=O)[O-])CC2)cc1-c1cccc(Cl)c1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.23258567
26098,COc1ccc(CC2CCN(CCN3CCN(c4ccccc4C(C)C)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6969512
26099,COc1ccc(OCCC(=O)COc2ccc(F)cc2)cc1N1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.14156657
26100,COc1ccc(OCCC(=O)Cc2ccc3c(c2)NC(=O)CC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.198238
26101,COc1ccc(OCCCN2CCN(Cc3cccc(C(=O)F)c3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.43755817
26102,COc1ccc(OCCN2CCC(c3nc4ccccc4s3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.731423
26103,COc1ccc(OCCN=S(C)(=O)O)cc1OCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.089917876
26104,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1CN1CC=C(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.10954479
26105,COc1ccc(OCCNS(=O)(=O)c2ccc(F)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.065793194
26106,COc1ccc(OCCNS(C)(=O)=O)cc1CN1CCC(Cc2ccccc2F)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.39172876
26107,COc1ccc2c(c1)CC(CNOc1ccc(OCCF)cc1C)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.42909363
26108,COc1cccc(CN2CCN(CCCCCNC(=O)c3cc4ccccc4s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57011425
26109,COc1cccc(CN2CCN(CCCCNc3cccc4ccccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5130073
26110,COc1cccc(CN2CCN(CCOc3ccc(ON)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.48853582
26111,COc1cccc2c1CN1CCc3cc(C)c(-c4cccc(C#N)c4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63205355
26112,COc1cccc2c1CN1CCc3cc(C)c(OC(C)C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6772482
26113,COc1ccccc1CCc1ccccc1CCOc1ccc(ON=S(C)(=O)O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06937381
26114,COc1ccccc1N1CCN(CCN2CCC(c3ccc4cccnc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7482444
26115,COc1ccccc1N1CCN(CCN2CCC(c3cccc(-c4ccccc4)c3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78626156
26116,Cc1cc(OCCNC(=O)COc2ccc(F)c(F)c2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.009629877
26117,Cc1cccc(CN2CCN(CCCc3ccccc3O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5168551
26118,Cc1cccc(COc2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.682926
26119,Cc1ccccc1N1CCN(CCN2CCC(n3cc4ccccc4c3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6776847
26120,ClC1CCN(CCN2CCN(c3ccccc3CCOCC#Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71974
26121,FC(F)(F)OCCCN1CCN(Cc2cccc(COc3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64381105
26122,FCCCN1CCN(Cc2cccc(C=CCc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.71855634
26123,O=C1CSc2ccccc2N1Cc1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6359828
26124,O=CCCN1CCN(Cc2cccc(N3C(=O)C(=O)c4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65589625
26125,Oc1cccc2c1CN1CCc3cc(-c4ccc5[nH]ccc5c4)c(Br)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6575483
26126,Oc1ccccc1N1CCN(CCN2CCC(COc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72510487
26127,c1ccc(-c2ccccc2N2CCN(CCN3CCC(c4ncco4)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83899945
26128,CCC1CCCN(CCOc2ccc(OOS(C)(=O)=O)c(C)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.33824128
26129,CCCOc1ccc(OC)c(N2CCC(NC(=O)Cc3ccc4c(c3)NC(=O)CC4C)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13045126
26130,CCCOc1ccc(OCN2CCC(c3ccccc3)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4966814
26131,CCCOc1ccc(OF)c(C=Cc2ccccc2OC2CCNCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29054695
26132,CCCOc1ccc(OF)c(N2CCN(C(C=O)c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21700588
26133,CCCOc1ccc(OF)c(NC2CCN(CCc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6160438
26134,CCCOc1ccc(OOC)c(-c2ccccc2OC(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14506806
26135,CCCOc1ccc(OOC)c(CNc2ccc(Cl)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07939986
26136,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(Cc3ccc(CC4CCCC(=O)N4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21938355
26137,CCOc1cc2c(cc1OC)CCN1Cc3c(Cc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63282233
26138,CCOc1ccccc1N1CCN(CCOc2ccc(OC)c(OCC=N)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8712528
26139,CNc1ccccc1Cc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45653835
26140,COC(=O)c1ccc(Oc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72995096
26141,COC1CCN(CCN2CCN(c3ccccc3OC34C=CC=CC3=CC(O)=N4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82412255
26142,COCCCN1CCN(Cc2cccc(C3=CC4=CC=CC=CC(=C3)S4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5076953
26143,COCCOc1ccc(OCNc2cccc(F)c2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06800176
26144,CON1CCN(CCNC(=O)c2ccc(Cl)c(-c3ccccc3C#N)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.40023163
26145,COOc1ccc(OCCc2ccc(F)cc2)cc1CNCC1CCc2ccc(OC)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.47070798
26146,COc1cc2c(cc1O)C1Cc3cccc(CCCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7649665
26147,COc1cc2c(cc1O)C1Cc3cccc(COc4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71943396
26148,COc1cc2c(cc1O)CCN1Cc3c(Cc4c(OC)cccc4OC)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75395495
26149,COc1cc2c(cc1OC)C1Cc3cccc(C#Cc4ccc([N+](=O)[O-])cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54696435
26150,COc1ccc(C(=O)NCCN2CCN(OC(C)=O)CC2)cc1-c1cccc(Cl)c1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3012991
26151,COc1ccc(OCCC(=O)CN2CCCc3ccccc32)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.20039465
26152,COc1ccc(OCCC(C)=O)cc1CN1CCN(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.495488
26153,COc1ccc(OCCC(C)Cc2ccccc2)cc1CN1CCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.39085633
26154,COc1ccc(OCCCF)cc1CN1CCN(C(=O)c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.096059516
26155,COc1ccc(OCCCN2CCN(c3ccccc3OC)CC2)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.95438147
26156,COc1ccc(OCCCN=S(C)(=O)O)cc1CNCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.0981658
26157,COc1ccc(OCCCNCc2ccccc2)cc1S(=O)(=O)C1CCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.19775036
26158,COc1ccc(OCCN2CCC(N(C)C(C)=O)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.47908127
26159,COc1ccc(OCCNC(C)=O)cc1N(C)CCc1ccc2ccccc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.042861346
26160,COc1ccc(OCCNCCc2ccccc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.19104813
26161,COc1ccc(OCCOS(C)(=O)=O)cc1NCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.09223789
26162,COc1ccc(OCCS(C)(=O)=O)cc1NC(=O)CCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.00772452
26163,COc1ccc(OCCS(N)(=O)=O)cc1C(C)COc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.2035254
26164,COc1cccc(CN2CCN(CCCCn3cc(C)ccc3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60520387
26165,COc1cccc(CN2CCN(CCCOc3ccc4cc(C(N)=O)ccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46233302
26166,COc1cccc2c1CN1CCc3cc(N4CCCCC4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4529952
26167,COc1ccccc1N1CCCN(CCOc2ccc(OOS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6513787
26168,CS(=O)(=O)c1ccccc1N1CCN(CCN2CCC(Oc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77121156
26169,Cc1cc(OCCN2CCN(C)CC2)ccc1OF,[*]CCOc1ccc(O[*])c([*])c1,0.45203418
26170,Cc1cc(OCCNCc2ccc([N+](=O)[O-])cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.13517675
26171,Cc1cc(OCCS(C)(=O)=O)ccc1OC(=O)COc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.10959706
26172,Cc1cc(OCCS(C)(=O)=O)ccc1OCCCc1ccc(C2CCCNC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.16966937
26173,Cc1cccc(Oc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.695894
26174,ClC1CCN(CCN2CCN(c3ccccc3-c3ncc[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7918556
26175,O=C(C=Cc1ccccc1)NCCCCN1CCN(Cc2cccc(CO)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6944576
26176,O=C1c2ccccc2C(=O)N1Cc1cccc(CN2CCN(CCCOC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5775478
26177,O=Cc1cccc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63080806
26178,Oc1cc(CC2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)c2ccccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7384575
26179,Oc1ccc(F)c(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7465399
26180,CC(=O)NCCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4305697
26181,CCCOc1ccc(OC(N)=O)c(N2CCC(Nc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28358686
26182,CCCOc1ccc(ON2CCC(c3cccc(OC)c3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.49781537
26183,CCCOc1ccc(ON2CCN(C(C)=O)CC2)c(-c2ccn(C(C)Cc3ccccc3)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09997653
26184,CCCOc1ccc(OOC)c(C2CCN(CCc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.73595965
26185,CCCOc1ccc(OOC)c(CC(=O)c2ccc(N3CCCCC3)c(Cl)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0780225
26186,CCCOc1ccc(OOC)c(CC2CCN(C(=O)c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.082359806
26187,CCCOc1ccc(OS(=O)(=O)N(C)C)c(CCCc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2675878
26188,CCCOc1ccc(OS(C)(=O)=O)c(COCC2CCCc3ccccc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34474358
26189,CCCOc1ccc(OS(C)(=O)=O)c(NC(C)COc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11526519
26190,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(Oc3ccc(SC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21791078
26191,COC1CCN(CCN2CCN(c3ccccc3C(O)C3CCc4ccc(O)cc4C3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7417907
26192,COCCCN1CCN(Cc2cccc(CC(=O)Nc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.25907522
26193,COc1cc2c(cc1O)C1Cc3cccc(C=NOCc4cccc(F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67178446
26194,COc1cc2c(cc1O)CCN1Cc3c(CC(C)C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.81594795
26195,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cc4ccccc4cc3C#N)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7171382
26196,COc1ccc(-c2cc(C(=O)NCCN3CCN(O)CC3)ccc2OC)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27494434
26197,COc1ccc(-c2cc3c(cc2O)CCN2Cc4c(cccc4OC)CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7181413
26198,COc1ccc(Br)cc1-c1cn(C2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74843436
26199,COc1ccc(OCCCC(=O)c2ccc(F)cc2)cc1CN1CCC(S(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4087523
26200,COc1ccc(OCCCC(C)c2ccc(F)cc2)cc1CN1CCNC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.21805795
26201,COc1ccc(OCCCS(N)(=O)=O)cc1C1CCC(CCc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31111583
26202,COc1ccc(OCCF)cc1CN1CCC(NS(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.43687445
26203,COc1ccc(OCCN2CCC(c3cccc(C(=O)N4CCCCCC4)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2514759
26204,COc1ccc(OCCNC(C)=O)cc1CCCc1ccc2c(c1)CC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.15636374
26205,COc1ccc(OCCNS(=O)(=O)c2ccc(F)cc2)cc1N1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31633416
26206,COc1ccc2[nH]ccc2c1-c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73319227
26207,COc1ccccc1-c1ccc(C(=O)NCCN2CCN([O-])CC2)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29378146
26208,COc1ccccc1COc1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7185028
26209,COc1ccccc1N1CCN(CCN2CCC(Cc3ccc4ccc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8060036
26210,CS(=O)(=O)c1ccccc1N1CCN(CCN2CCC(n3c(O)nc4cc(F)ccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6883288
26211,CSOc1ccc(OCCN2CCN(c3ccccc3OC(C)C)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.80776435
26212,C[SH](C)(=O)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5659084
26213,Cc1cc(OCCCCN2CCN(C)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.45915475
26214,Cc1cc(OCCCCOc2ccccc2)ccc1ONS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.054871675
26215,Cc1cc(OCCCOCc2cccs2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09431889
26216,Cc1cc(OCCF)ccc1OCN1CCN(C(=O)OCc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.093616106
26217,Cc1cc(OCCF)ccc1OCN1CCN(C=S(=O)([O-])c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20792003
26218,Cc1cc(OCCNC(=O)COc2ccc(CF)cc2)ccc1ON1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.0468769
26219,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(Br)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65809834
26220,Cc1ccn(C2CCN(CCN3CCN(c4ccccc4C#N)CC3)CC2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7818324
26221,FCCCN1CCN(Cc2cccc(-c3cc4ccccc4[nH]3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7071299
26222,O=C1CC2(C=CCC2)CC(=O)N1c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7421964
26223,O=S1(=O)Cc2ccccc2N1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7457209
26224,O=[N+]([O-])c1ccccc1Cc1cccc2c1CN1CCc3cc(CO)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47974014
26225,O=[N+](c1ccccc1)c1cc2c(cc1C#Cc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6156579
26226,Oc1cc2c(cc1C1=CCCC1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7053788
26227,Oc1nc2cccc(CCCN3CCN(Cc4cccc(Cl)c4)CC3)c2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6069888
26228,CC(C)(C)CCCN1CCN(Cc2cccc(-n3c(=O)oc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56097174
26229,CC(C)(C)c1ccc(CCCCN2CCN(Cc3cccc(F)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6540253
26230,CC1CCN(CCN2CCN(c3ccccc3Nc3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.47672606
26231,CC=Cc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8426536
26232,CCCOc1ccc(OCN2CCC(Nc3ccc(F)cc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4163603
26233,CCCOc1ccc(ON)c(N2CCC(c3noc4ccc(F)cc34)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35390073
26234,CCCOc1ccc(ON=S(C)(=O)O)c(NCCc2cccs2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06108553
26235,CCCOc1ccc(ONS(=O)(=O)c2ccc(F)cc2)c(NC(=O)COc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.009681316
26236,CCCOc1ccc(OOC)c(N2CCC(Nc3ccccc3Cl)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27584353
26237,CCCOc1ccc(OS(C)(=O)=O)c(C2CCC(COc3ccc4c(c3)C(N=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34856746
26238,CCCOc1ccc(OS(C)(=O)=O)c(CCCc2ccc(OC3CCNC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2320765
26239,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(Oc3ccc(C(C)C)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.301354
26240,CCCOc1ccc(OSC)c(NCCc2cccc3ccccc23)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12766866
26241,CCc1cccc2c1CN1CCc3cc(C)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6411629
26242,CCc1ccccc1N1CCN(CCN2CCC(F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75279665
26243,CCc1ccccc1N1CCN(CCN2CCC(c3ccc(F)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7784544
26244,CCc1ccccc1S(=O)(=O)NC1CCN(CCOc2ccc(OC)c(OS(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.72762275
26245,CN1CCN(CCNC(=O)c2ccc(Cl)c(-c3ccco3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.24500671
26246,CNc1cc2c(cc1-c1ccc(CO)cc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56595546
26247,COC(=O)Nc1cccc(Cc2cc3c(cc2OC)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32233328
26248,COC(=O)Nc1cccc(Cc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34626612
26249,COCCOc1ccc(OC)c(CN2CCCC(c3ccccc3OC)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.47383097
26250,COCCOc1ccc(OC)c(N2CCCN(C(=O)c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.060186807
26251,COCc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5895556
26252,COOc1ccc(OCCN2CCC(Oc3ccccc3SC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5912268
26253,COOc1ccc(OCCN2CCN(c3cccc(C(F)(F)F)c3)C2=O)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.47573388
26254,COc1cc2c(cc1C)CCN1Cc3c(cccc3OCc3ccc(N(C)C)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65707
26255,COc1cc2c(cc1O)C1Cc3cccc(COC(C)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5695494
26256,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCCF)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.81793255
26257,COc1cc2c(cc1O)CCN1Cc3c(cccc3Oc3ccccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7357545
26258,COc1cc2c(cc1OC)C1Cc3cccc(CCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.81956154
26259,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6946086
26260,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccc(Br)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.21521206
26261,COc1ccc(C(O)c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5961682
26262,COc1ccc(C2CCN(c3cc(OCCS(C)(=O)=O)ccc3OC)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.30956298
26263,COc1ccc(OCCC=O)cc1N1CCC(CC(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28416806
26264,COc1ccc(OCCCNC(=O)c2ccc(CCF)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.055258095
26265,COc1ccc(OCCCNC(=O)c2ccc3c(c2)N(SC)C(=O)CC3)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.16363439
26266,COc1cccc(CN2CCN(CCCC3(c4ccccc4)CNC3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.52688295
26267,COc1cccc2c1CN1CCc3cc(OC(=O)Nc4ccc(Cl)cc4Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35315102
26268,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc4nccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78141284
26269,CSOc1ccc(OCCNC2CCC(Oc3ccc4c(c3)NC(=O)CCC4)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.28554305
26270,C[SH](O)(O)=Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6653905
26271,Cc1cc(OCCN2CCN(Cc3cccc4c3NC(=O)CC4)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.39415544
26272,Cc1ccc(C(=O)NCCN2CCN(C=O)CC2)cc1-c1cccc(C)c1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32079068
26273,Cc1ccccc1N1CCN(CCN2CCC(Cc3cnc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6388372
26274,O=C1N(CCCN2CCN(Cc3cccc(OC(F)(F)F)c3)CC2)CCN1c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58362836
26275,OC(F)(F)c1ccccc1N1CCN(CCN2CCC(CNc3ccccc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5771492
26276,Oc1c2ccccc2cn1-c1ccccc1N1CCN(CCN2CCC(O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6894707
26277,Oc1cc2c(cc1C(O)Cc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.706261
26278,Oc1ccc2cc(C3CCN(CCN4CCN(c5ccccc5C(F)(F)F)CC4)CC3)ccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79238373
26279,CC1Cc2ccccc2N1CCCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6846144
26280,CCCOc1ccc(OCCOc2ccc(C(F)(F)F)cc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0929405
26281,CCCOc1ccc(OCN2CCN(c3ccccc3OC)CC2)c(C(N)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7008161
26282,CCCOc1ccc(ON(C)C)c(-c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11743221
26283,CCCOc1ccc(ONS(C)(=O)=O)c(CN2CCC(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.51589674
26284,CCCOc1ccc(OOC)c(-c2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16352446
26285,CCCOc1ccc(OOC)c(CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.76175576
26286,CCCOc1ccc(OS(=O)(=O)N(C)C)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08449974
26287,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Oc3ccc(C4CCCC(=O)N4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2978537
26288,CCCOc1ccc(OS(C)(=O)=O)c(NCCc2ccc(Cl)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06455143
26289,CCCc1ccc(C(=O)NCCOc2ccc(OC)c(CN3CCN(C)CC3)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.23405628
26290,COC(=O)NOc1ccc(OCCNC(=O)Cc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.05935358
26291,COCCCN1CCN(Cc2cccc(-c3ccc4c(c3)-c3ccccc3SC4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7049724
26292,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccccc1[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32937875
26293,COc1cc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)ccc1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.94411075
26294,COc1cc2c(cc1-c1ccccc1C)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6909537
26295,COc1cc2c(cc1Cc1cccc([N+](=O)[O-])c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46980858
26296,COc1cc2c(cc1O)C1Cc3cccc(-c4cc(C)ccc4C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63975
26297,COc1cc2c(cc1O)C1Cc3cccc(C=NOCc4ccc([N+](=O)[O-])cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52859044
26298,COc1cc2c(cc1O)CCN1Cc3c(C=NOCc4ccc(C)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.608417
26299,COc1cc2c(cc1O)CCN1Cc3c(cccc3CN(C)OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72385484
26300,COc1cc2c(cc1OC)C1Cc3cccc(-c4cccc(CNC(C)=O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40768582
26301,COc1cc2c(cc1OC)CN(CCCOc1ccc(ON)c(C)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.65634483
26302,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(cccc3-c3ccccc3C#N)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6546573
26303,COc1ccc(C(=O)NCCN2CCN(O)CC2)cc1-c1ccccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2817553
26304,COc1ccc(C(=O)NCCN2CCN([N+](=O)[O-])CC2)cc1-c1cccc([N+](=O)[O-])c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.23184004
26305,COc1ccc(C(=O)NCCN2CCN(c3ccccc3Cl)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.81519514
26306,COc1ccc(C(=O)Nc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.31130758
26307,COc1ccc(OCCC(N)=O)cc1N1CCC(Nc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23708223
26308,COc1ccc(OCCC2=CCC(Oc3ccccc3C3CCNC3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.31596297
26309,COc1ccc(OCCCC(=O)c2cccs2)cc1CN1CCC(OC)C1,[*]CCOc1ccc(O[*])c([*])c1,0.42647108
26310,COc1ccc(OCCF)cc1CC(=O)Nc1ccccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.006867949
26311,COc1ccc(OCCN2CCC(c3cccc(C(C)=O)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5646227
26312,COc1ccc(OCCN2CCCC(Cc3ccc(F)cc3)C2)cc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.52047205
26313,COc1ccc(OCCNC(=O)c2ccccc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.04019913
26314,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(c2ccc(CF)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2797776
26315,COc1ccc(S(=O)(=O)c2ccccc2N2CCN(CCN3CCC(C(F)(F)F)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6208581
26316,COc1cccc(CN2CCN(CCCN3C(=O)c4ccccc4S3(=O)=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61986727
26317,Cc1cc(OCCCOc2ccc(F)cc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.114586376
26318,Cc1cc(OCCF)ccc1OCN1CCC(Oc2ccc3c(c2)NC(=O)CCS3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.43469203
26319,Cc1cc(OCCN2CCC(C(=O)c3ccccc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5100004
26320,Cc1cc(OCCN2CCC(Cc3ccc4ccccc4c3)NC2=O)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.21125638
26321,Cc1cc(OCCN2CCC(c3ccccc3)C2=O)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.21534209
26322,Cc1cc(OCCNCc2ccccc2)ccc1OOS(C)=N,[*]CCOc1ccc(O[*])c([*])c1,0.34517685
26323,Cc1cc(OCCNS(=O)(=O)c2cccc(C(N)=O)c2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.030526675
26324,Clc1cccc(CN2CCN(CCCCc3nc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7828363
26325,Clc1ccccc1N1CCN(CCN2CCC(Cc3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81658494
26326,Fc1cccc(-c2ccc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)nc2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7864999
26327,N#CCCCN1CCN(Cc2cccc(Cc3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7763181
26328,O=C1c2ccccc2C(=O)N1CCCCN1CCN(Cc2cccc([N+](=O)[O-])c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59628934
26329,O=S(=O)(Nc1cccc(CN2CCN(CCCCl)CC2)c1)c1ccc(F)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4878376
26330,OC=Nc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7330742
26331,Oc1cc2ccccc2n1-c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6922781
26332,C=Cc1cc2c(cc1Cl)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70757604
26333,CC(=O)N(Cc1ccccc1)C1CCN(CCN2CCN(c3ccccc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.63296723
26334,CCCOc1ccc(OF)c(CNCC2CCc3cc(OC)c(OC)cc3CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32493958
26335,CCCOc1ccc(ON2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c(C(N)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34822804
26336,CCCOc1ccc(ON2CCN(c3ccccc3OCCC)CC2)c(OC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2336623
26337,CCCOc1ccc(OOC)c(-c2ccc(C(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08962801
26338,CCCOc1ccc(OOC)c(N2CCN(c3ccc(CCF)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3664172
26339,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(Cc3ccc(C4CCNC(=O)C4)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18073557
26340,CN(C(=O)CCCN1CCN(Cc2cccc(Cl)c2)CC1)C1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5322192
26341,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3cc4cc(O)ccc4[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7168298
26342,COCCCN1CCN(Cc2cccc(C(=O)N3c4ccccc4CC3(C)C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61996204
26343,COCCCN1CCN(Cc2cccc(CNC(=O)NC(C)=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.39921737
26344,COCCCN1CCN(Cc2cccc(N3c4ccccc4CC3C=[SH](=O)O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56877816
26345,COOc1ccc(OCCF)cc1C(F)C1CCN(CCCF)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.63720423
26346,COc1cc(C(=O)NCCN2CCN(c3ccccc3[N+](=O)[O-])CC2)ccc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.66262406
26347,COc1cc2c(cc1C(=O)OCc1ccccc1)C1Cc3cccc(F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46048853
26348,COc1cc2c(cc1OC)C1Cc3cccc(NCc4cccc([N+](=O)[O-])c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.2896774
26349,COc1cc2c(cc1Oc1ccc(CO)cc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71503806
26350,COc1ccc(-c2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7244235
26351,COc1ccc(OCCC(C)=O)cc1CCNc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.022009902
26352,COc1ccc(OCCC(N)=O)cc1CN1CCC(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.54165894
26353,COc1ccc(OCCCCSc2ccccc2)cc1CN1CCC(S(=O)(=O)c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.37096298
26354,COc1ccc(OCCCN2CCC(Oc3ccccc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6075159
26355,COc1ccc(OCCN2CCN(C)CC2)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.53330314
26356,COc1ccc(OCCNC(C)=O)cc1N1CCN(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20357412
26357,COc1ccc(OCCNCC(=O)c2cc3ccccc3s2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.109714046
26358,COc1ccc(OCCS(C)(=O)=O)cc1NC(C)COc1ccc2c(c1)CCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.1847815
26359,COc1ccc2c(c1)N(CCOc1ccc(OSC)c(C)c1)CC(O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.33902624
26360,COc1ccc2nc(O)nc(C3CCN(CCN4CCN(c5ccccc5OC)CC4)CC3)c2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8132822
26361,COc1cccc(-c2cc(C(=O)NCCN3CCN(OC)CC3)ccc2O)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33768338
26362,COc1cccc(CN2CCN(CCCCN3C(=O)C(=O)c4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6851887
26363,COc1cccc(CN2CCN(CCCCc3cc4ccccc4cc3OC)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7445861
26364,COc1cccc2c1CN1CCc3cc(O)c(-c4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7121093
26365,COc1ccccc1-c1cc(C(=O)NCCN2CCN(C)CC2)ccc1C#N,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.36943853
26366,COc1ccccc1COc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67199224
26367,Cc1cc(OCCC(=O)CCc2ccc3c(c2)NC(=O)CC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13861534
26368,Cc1cc(OCCCS(=O)(=O)c2ccc(F)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.052135214
26369,Cc1cc(OCCN2CCCC(Oc3ccc4c(c3)NC(=O)CCC4)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5747179
26370,Cc1cc(OCCN=S(C)(=O)O)ccc1OCCCc1ccc2c(c1)CC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.17041767
26371,Cc1cc(OCCNS(C)(=O)=O)ccc1OC1CC(=O)CC12CCC(=O)Nc1ccccc12,[*]CCOc1ccc(O[*])c([*])c1,0.102210574
26372,Cc1cc(OCCc2ccccc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08947476
26373,Cc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1cccc2c1OCC2,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.24696855
26374,Cc1ccccc1N1CCN(CCN2CCC(c3ccc(Oc4ccccc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6239722
26375,Cc1ccccc1N1CCN(CCN2CCC(c3ncc(N)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6951066
26376,ClCCCN1CCN(Cc2cccc(-c3ccc4ccoc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67530626
26377,ClCCCN1CCN(Cc2cccc(C3=Nc4ccccc4OC3Nc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48538408
26378,N#Cc1ccc(CC(=O)c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5587816
26379,O=C(c1ccccc1)N1CCCC1Cc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5111233
26380,O=c1cccc(-c2cccc(CN3CCN(CCCCl)CC3)c2)o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6413918
26381,OCc1ccccc1-c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65366465
26382,Oc1cccc(CN2CCN(CCCCNc3ccccn3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7448872
26383,CC(C)c1ccccc1N1CCN(CCN2CCC(Oc3ccc4c(c3)NC(=O)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7163267
26384,CC(F)c1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccc4)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7160064
26385,CCC=Cc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7427479
26386,CCCN1CCN(c2cc(OCCN)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.75943744
26387,CCCOc1ccc(OCn2cccc2OCCF)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6913127
26388,CCCOc1ccc(ON)c(N2CCCC(Cc3ccccc3N3CCOCC3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22481525
26389,CCCOc1ccc(OS(C)(=O)=O)c(NCC2CCC(Oc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16515374
26390,CCCOc1ccc(OS(C)(=O)=O)c(NCc2ccsc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0471313
26391,CCCOc1ccc(OS(C)(=O)=O)c(OC(=O)Cc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04498088
26392,CCOC(=O)CCOc1ccc(OC)c(CN2CCC(C(=O)c3ccc(SC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27985668
26393,CCc1cccc(-c2cc3c(cc2OC)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71722424
26394,CN(C)C(=O)NCC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8176016
26395,COC(=O)CCCN1CCN(Cc2cccc(-c3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.471019
26396,COC(=O)c1ccc(-c2cc(C(=O)NCCN3CCN(F)CC3)ccc2F)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.24609631
26397,COC1CCN(CCN2CCN(c3ccccc3Cc3ccc4ncccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6789454
26398,COCCCN1CCN(Cc2cccc(-c3ccc(OC)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54298824
26399,COCCCN1CCN(Cc2cccc(-c3ccccc3OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5963525
26400,COCCOc1ccc(OC)c(N2CCN(c3cccc(Cl)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33944225
26401,COCCOc1ccc(OCCNC(=O)c2ccccc2OC)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.027874785
26402,CON1CCN(CCNC(=O)c2ccc([O-])c(-c3ccccc3C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29930526
26403,COc1cc(C(=O)NCCOc2ccc(OC)c(NS(C)(=O)=O)c2)ccc1F,[*]CCOc1ccc(O[*])c([*])c1,0.020227311
26404,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(C)Oc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74320734
26405,COc1ccc(OCCC(C)Cc2ccc(F)cc2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.112386346
26406,COc1ccc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.598577
26407,COc1ccc(OCCN2CCC(c3ccc(F)cc3)CC2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.7258935
26408,COc1ccc(OCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.68496597
26409,COc1ccc(OCCN=S(C)(=O)O)cc1C(CCc1ccc2c(c1)NC(=O)CC2)OC,[*]CCOc1ccc(O[*])c([*])c1,0.19880868
26410,COc1ccc(OCCNCCc2cccs2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.17762193
26411,COc1ccc(OCCNS(=O)(=O)c2ccc3ccc(C)cc3c2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.041495997
26412,COc1ccc(OCCS(C)(=O)=O)cc1CCCn1cc(C2CCCCC2)cc1O,[*]CCOc1ccc(O[*])c([*])c1,0.14830545
26413,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(O)(c2ccc(SC)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20221327
26414,COc1ccc(OCC[SH](C)C)cc1OC(=O)CCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.16339637
26415,COc1cccc(Cc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.701235
26416,COc1cccc2c1CN1CCc3cc(CNOc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63139135
26417,COc1cccc2c1CN1CCc3cc(OC(C)C)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7382384
26418,COc1ccccc1N1CCN(CCN2CCC(Cc3ccc(-c4ccccc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85880333
26419,COc1ccccc1N1CCN(CCN2CCC(Oc3ccc4[nH]cnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85809445
26420,COc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8824344
26421,CSc1ccc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7275517
26422,Cc1cc(OCCCNCc2cc3ccccc3o2)ccc1OF,[*]CCOc1ccc(O[*])c([*])c1,0.20633101
26423,Cc1cc(OCCN2CC(Cc3ccc4ccccc4c3)CCN2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.27599055
26424,Cc1cc(OCCN2CCN(c3ccccc3OC(C)C)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.7126805
26425,Cc1cc(OCCNC(=O)Cc2cccs2)ccc1ON1CCC(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.06239891
26426,Cc1cc(OCCNS(C)(=O)=O)ccc1OOCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.1620724
26427,Cc1cc2c(cc1[N+](=O)c1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61835784
26428,Cc1ccc(-c2cc3c(cc2O)C2Cc4cccc(C)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5699201
26429,Cc1ccc(C)c(C2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6471374
26430,Cc1ccccc1N1CCN(CCN2CCC(Cc3cc4ccccc4s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6867124
26431,ClCCCN1CCN(Cc2cccc(-c3ccc4sccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68959874
26432,Clc1cccc(CN2CCN(CCCCN3CCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7896107
26433,N#Cc1cc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c2ccccc2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6814616
26434,O=C(Nc1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.2733894
26435,Oc1cc(-c2ccccc2)nn1C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76756227
26436,C=Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7135158
26437,CCCOc1ccc(OC)c(NS(=O)(=O)c2ccc(C(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07768244
26438,CCCOc1ccc(ON)c(CN2CCCC(c3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4645653
26439,CCCOc1ccc(ON2CCN(c3cccc(OCC(F)(F)F)c3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31804627
26440,CCCOc1ccc(ON=S(C)(=O)O)c(-c2ccc(C3CCN(C)CC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33438236
26441,CCCOc1ccc(ONCCC(=O)c2ccc(F)cc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.031323284
26442,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCC(Oc3ccc(CCC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3019501
26443,CCCOc1ccc(OSC)c(N2CCC(Cc3ccc(OC4CCCCC4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31299126
26444,CCCc1cccc2c1CN1CCc3cc(Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7730404
26445,CCOC1CCN(CCN2CCN(c3ccccc3NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.49398655
26446,CCOc1ccccc1N1CCN(CCOc2ccc(OC)c(CS(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.77439016
26447,CCc1ccc(OC)cc1-c1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7434363
26448,CCc1ccc(S(=O)(=O)CCCN2CCN(Cc3cccc(OC)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.39515543
26449,CN1CCN(c2cc(OCCNS(=O)(=O)c3ccccc3F)ccc2ONS(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.45671052
26450,CNOc1ccc(OCCN2CCCC(Cc3ccc4c(c3)NC(=O)CCC4)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.40454066
26451,COC(=O)Nc1cccc(C2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5624712
26452,CON=Cc1cc2c(cc1Cl)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70934594
26453,COOc1ccc(OCCc2cccc(CCc3ccccc3OC)c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.17598355
26454,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1COc1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.37186763
26455,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74517703
26456,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(F)cc4F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75028676
26457,COc1ccc(OCCN2CCC(=O)C(c3ccc(Cl)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.57067835
26458,COc1ccc(OCCN2CCC(F)(c3ccc(Cl)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.50342745
26459,COc1ccc(OCCN2CCN(c3ccccc3C(F)(F)F)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.8712753
26460,COc1ccc(OCCNCCc2cccc3c2NC(=O)CC3)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.17235409
26461,COc1ccc(OCCNCc2ccc(OC3CCNCC3)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.20300858
26462,COc1ccc(OCCOC2CCN(Cc3ccc(F)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5984895
26463,COc1ccc(OCCS(N)(=O)=O)cc1CCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.26511866
26464,COc1ccc(S(=O)(=O)Nc2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4937151
26465,COc1ccc2cc(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)ccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7294566
26466,COc1cccc(CN2CCN(CCCNS(=O)(=O)c3ccc4ccsc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.30184737
26467,COc1cccc(CN2CCN(CCCOc3ccc4ccc(O)nc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61536574
26468,COc1cccc(CN2CCN(CCCc3ccccc3NC(=O)c3ccc4ccccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3055213
26469,COc1ccccc1-c1ccc(-c2cccc(CN3CCN(CCCCl)CC3)c2)o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5685826
26470,COc1ccccc1N1CCN(CCN2CCC(Oc3cccc4nc(O)ccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84086466
26471,COc1ccccc1N1CCN(CCN2CCC(c3ccc(NC(=O)N(C)C)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6815119
26472,COc1ccccc1N1CCN(CCN2CCC(c3cnc(-c4ccccc4)o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8519936
26473,COc1ccccc1N1CCN(CCN2CCC(c3ncn4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7898101
26474,CSOc1ccc(OCCNC(=O)c2ccc3ccccc3c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.027121132
26475,CSc1ccc(C(C)=O)c(N2CCN(CCOc3ccc(ON=S(C)(=O)O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.47119787
26476,Cc1cc(OCCN2CCC(Oc3ccc(Cl)cc3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.6155259
26477,Cc1cc(OCCNS(C)(=O)=O)ccc1ONCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.095562264
26478,Cc1cc2c(cc1OCc1ccc(O)cc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7057185
26479,Cc1ccccc1N1CCN(CCN2CCC(c3ncccc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6897077
26480,N#Cc1cc2c(cc1CO)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6732636
26481,N#Cc1ccc(-c2cccc3c2CN2CCc4cc(O)c(Cl)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6538752
26482,O=C(CCCN1CCN(Cc2cccc(OCCF)c2)CC1)c1cc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5690019
26483,O=C(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1c(O)oc2ccccc12,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4112904
26484,O=C1c2ccccc2OC1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58434856
26485,O=[N+]([O-])Cc1cc2c(cc1-c1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5126732
26486,Oc1cc2c(cc1CCSc1ccccc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5536368
26487,Oc1cc2c(cc1CCc1ccccc1)CCN1Cc3c(cccc3Oc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7337602
26488,Oc1cc2c(cc1O)C1Cc3cccc(-c4ccc5[nH]ccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5990505
26489,CC(=O)N(Cc1cccc(CN2CCN(CCCCl)CC2)c1)C1CCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61291295
26490,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3cnc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78604746
26491,CCC(C)(C)c1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63220674
26492,CCCOc1ccc(OC)c(CNCC2CCc3ccc(S(C)(=O)=O)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31791118
26493,CCCOc1ccc(ON(C)C)c(NC(=O)c2ccc(N3CCNC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10328183
26494,CCCOc1ccc(ONS(C)(=O)=O)c(NC2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21718284
26495,CCCOc1ccc(ONS(C)(=O)=O)c(SCCc2ccc(CCC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06373552
26496,CCCOc1ccc(OS(C)(=O)=O)c(OCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.100284785
26497,CCCOc1ccc(OS(N)(=O)=O)c(NCCc2cccc3c2CCC(=O)N3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17413326
26498,CCCOc1ccc(OS(N)(=O)=O)c(NS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07109737
26499,CCOCOc1ccc(OCCNS(=O)(=O)c2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.09798153
26500,CCc1ccccc1C1CCN(CCOc2ccc(OC)c(NS(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.64494514
26501,CN1CCN(CCNC(=O)c2ccc(O)c(-c3cccc([N+](=O)[O-])c3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.22421238
26502,CN=Cc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7944722
26503,COCCCN1CCN(Cc2cccc(-c3cc(-c4ccccc4)co3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5371249
26504,COc1ccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2Br)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.25536934
26505,COc1ccc(OCCC(C)C)cc1NS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.061603073
26506,COc1ccc(OCCCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.68371123
26507,COc1ccc(OCCF)cc1CN(C1CCCN(C(=O)c2ccc(Cl)cc2)C1)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.110244855
26508,COc1ccc(OCCN2CCC(S(=O)(=O)c3cccc(F)c3)CC2)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6260945
26509,COc1ccc(OCCN2CCC(c3cc(Cc4ccccc4)on3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.567031
26510,COc1ccc(OCCN2CCC(c3cccc(SC)c3)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.6881658
26511,COc1ccc(OCCN2CCC(c3ccccc3OC3CCC3)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.6362534
26512,COc1ccc(OCCN2CCC(c3ccccc3S(C)(=O)=O)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.73027945
26513,COc1ccc(OCCN2CCC(c3ccsc3)CC2)cc1C(C)NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6391708
26514,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCC1COc1ccc(C(F)(F)F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.21118446
26515,COc1ccc(OCCN=S(C)(=O)O)cc1NC(=O)COc1ccc2c(c1)CCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.039083194
26516,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.055392537
26517,COc1ccc(OCCNCc2ccccc2)cc1N1C=[SH]CC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.21626247
26518,COc1ccc(OCCOS(C)(=O)=O)cc1CCOc1ccc(C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06879487
26519,COc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3cccc4cccnc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75362086
26520,COc1ccccc1N1CCN(CCN2CCC(c3nccc4ccc(F)cc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8651417
26521,COc1ccccc1N1CCN(CCN2CCC(n3ccnc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.86069417
26522,CSc1ccc(C(=O)C2CCN(COc3ccc(OCCNC(C)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.24880469
26523,CSc1ccc(C2(O)CCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.46472713
26524,CSc1ccc(C2CCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)CC2O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.4114475
26525,CSc1cccc(CC2CCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6606085
26526,Cc1cc(=O)c(-c2cccc(CN3CCN(CCCF)CC3)c2)co1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.50174326
26527,Cc1cc(OCCC(N)=O)ccc1OCCCc1ccccc1OC1CCNC1,[*]CCOc1ccc(O[*])c([*])c1,0.16216822
26528,Cc1cc(OCCN2CC=C(c3ccccc3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.5226619
26529,Cc1cc(OCCN2CCC(Nc3ccc(F)cc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.35022342
26530,Cc1cc(OCCN2CCNC(Cc3ccc(F)cc3)C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.40122804
26531,Cc1cc(OCCNC(=O)COc2ccc3c(c2)NCCC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.059176803
26532,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)NC(=O)CC3)ccc1OO[SH](C)(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.042812124
26533,Cc1cc(OCCNC2CCc3ccc(S(C)(=O)=O)cc3CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.24332955
26534,Cc1cc(OCCNS(=O)(=O)c2ccc(C(C)C)cc2)ccc1ON1CCC(Cc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.16943465
26535,Fc1ccccc1N1CCN(CCN2CCC(c3cc4ccccc4o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.63542986
26536,N#CC1CCN(CCN2CCN(c3ccccc3-c3cccc(O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83764905
26537,Oc1cc2c(cc1O)C1Cc3cccc(C=NOCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73831123
26538,Oc1cccc(CN2CCN(CCCOc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6849158
26539,Oc1cccc2c1CN1CCc3cc(-c4cccc(C(F)(F)F)c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6383234
26540,C=Cc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7958924
26541,CC(=O)N(C)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5621101
26542,CC(=O)NC1(c2cccc(CN3CCN(CCCCl)CC3)c2)CCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46895543
26543,CCC(=O)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.31364226
26544,CCC1CCc2ccc(OCC(=O)c3cc(OCCN=S(C)(=O)O)ccc3OC)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.25129458
26545,CCCCCCOc1ccc(ON2CCN(c3ccccc3OC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23975165
26546,CCCCc1ccc(OC2CCN(CCOc3ccc(ON=S(C)(=O)O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.4406742
26547,CCCOc1ccc(OCN)c(COCC2CCCC2N)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25156015
26548,CCCOc1ccc(ON2CCN(C(=O)OC)CC2)c(-c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08017778
26549,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCCC(CCc3cccc4c3CC(=O)N4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13684046
26550,CCCOc1ccc(ONCCc2cccc3ccc(F)cc23)c(OC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03297174
26551,CCCOc1ccc(ONS(C)(=O)=O)c(CCN2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.69583935
26552,CCCOc1ccc(OS(C)(=O)=O)c(C2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24609487
26553,CCCOc1ccc(OSC)c(N2CCC(Oc3ccc(C(C)=O)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14196444
26554,CCCOc1ccccc1N1CCN(CCOc2ccc(OC)c(OC)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.9193142
26555,CCCc1ccc(S(=O)(=O)NCCOc2ccc(OSC)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.070906125
26556,CCOc1ccccc1N1CCN(c2cc(OCCC=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.32788777
26557,CN(Cc1ccccc1)C(=O)NCc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.44057542
26558,CNc1cccc2c1CN1CCc3cc(C)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43714502
26559,COC(=O)CCOc1ccc(OC)c(CN2CCN(c3ccccc3F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.46659493
26560,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4cccs4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8546292
26561,COCCCN1CCN(Cc2cccc(C3OCCc4cc(OC)ccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5239018
26562,COCCOc1ccc(OC)c(CN2CCCC(Nc3cccc(C(C)=O)c3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17617124
26563,COCCOc1ccc(ONCCOc2ccccc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16910517
26564,COOc1ccc(OCCC(F)COc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.26948527
26565,COc1cc(C)cc(-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7025886
26566,COc1cc2c(cc1Cc1cccc(OC([O-])(F)F)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55512506
26567,COc1cc2c(cc1OC)C1Cc3cccc(Cc4cccc(NO)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48099267
26568,COc1cc2c(cc1[N+](=O)C(C)=O)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41535485
26569,COc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.0391632
26570,COc1ccc(OCCNCc2ccc(Cl)cc2)cc1S(=O)(=O)C1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.19909991
26571,COc1ccc(OCCOC(=O)Cc2ccc3c(c2)CC(=O)CC3)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08936765
26572,COc1cccc(CCC2CCCN(CCOc3ccc(OC)c(S(C)(=O)=O)c3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.44580626
26573,COc1cccc(CN2CCN(CCCC(=O)N3CCCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48288187
26574,CS(=O)(=O)NOc1ccc(OCCF)cc1C1CCN(CCc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7111257
26575,CS(=O)(=O)Oc1ccc(OCCCCF)cc1NCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.06779069
26576,CSOc1ccc(OCCCNc2ccc(OC3CCNCC3)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.15311694
26577,Cc1cc(OCCN2CCC(C(=O)O)CC2)ccc1OCCN1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.46969035
26578,Cc1cc(OCCN2CCC(c3ccccc3F)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5778035
26579,Cc1cc(OCCNS(C)(=O)=O)ccc1OOC1CCN(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.37512225
26580,Cc1ccc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)cc1C#N,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6711207
26581,Cc1ccccc1N1CCN(CCN2CCC(c3ccc(Cl)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72003233
26582,Cc1ccccc1N1CCN(CCN2CCC(c3ccccc3C=Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6145333
26583,Clc1cccc(CN2CCN(CCCc3cnco3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5335296
26584,FC(F)(F)OCCCN1CCN(Cc2cccc(-c3cccc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59634507
26585,FC(F)(F)c1ccc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)nc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70777154
26586,N#Cc1ccccc1S(=O)(=O)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69923055
26587,O=C(NCCN1CCN(F)CC1)c1ccc(-c2ccccc2Cl)c(O)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.44797027
26588,O=C(NCc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1)Nc1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.30528015
26589,O=C(Nc1cccc(CN2CCN(CCCCl)CC2)c1)c1cccc2c1-c1ccccc1C2,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3807359
26590,O=[N+]([O-])c1ccccc1N1CCN(CCN2CCC(Nc3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5342863
26591,O=c1c(CCCN2CCN(Cc3cccc(Cl)c3)CC2)cccn1-c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6687449
26592,C=Cc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69770193
26593,CC(C)c1ccccc1N1CCN(CCN2CCC(c3nccn3Cc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69616604
26594,CCC(=O)NCc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41130552
26595,CCCOc1ccc(CCOc2ccc(ONS(C)(=O)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.062702276
26596,CCCOc1ccc(OCl)c(N2CCC(c3ccccc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27640942
26597,CCCOc1ccc(OF)c(N2CCC(C(=O)OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08309117
26598,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCCC(Oc3ccc(CC4CCCCC4)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14393118
26599,CCCOc1ccc(ONC)c(N2CCN(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29899526
26600,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)Cc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.077152945
26601,CCCOc1ccc(OS(C)(=O)=O)c(OC(=O)CCc2ccc3c(c2)CCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11671513
26602,CCOCOc1ccc(OCCOC)cc1CCN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.76327646
26603,CCc1ccccc1C1CCN(CCCOc2ccc(OC)c(OS(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7258372
26604,CNC(=O)CCOc1ccc(OC)c(N2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1100823
26605,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4cccc(F)c4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77677774
26606,COC1CCN(CCN2CCN(c3ccccc3-n3ccnc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71940434
26607,COCCOc1ccc(ONCc2ccccc2)c(N2CCC(Oc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3791346
26608,CON=Cc1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6535864
26609,COc1cc2c(cc1-c1ccc(C)cc1Cl)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6384381
26610,COc1cc2c(cc1O)C1Cc3cccc(C(=O)OCc4cccc(C(F)(F)F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5339073
26611,COc1cc2c(cc1O)C1Cc3cccc(OC(=O)Nc4cccc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.385411
26612,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc(OCc5ccccc5)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65689087
26613,COc1ccc(Br)cc1C(=O)NC1CCN(CCN2CCN(c3ccccc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6002109
26614,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1cccc(Br)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3014445
26615,COc1ccc(OCCC(F)COc2ccc3c(c2)NC(=O)CC3)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.17605229
26616,COc1ccc(OCCC2CCNC(=O)C2)cc1C(F)Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.17687044
26617,COc1ccc(OCCCCCc2ccc(C3CCNC3=O)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.12673856
26618,COc1ccc(OCCCNC(=O)Cc2ccc(F)cc2)cc1SCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.04060817
26619,COc1ccc(OCCF)cc1CN1CCN(c2ccccc2C(C)C)C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.23641396
26620,COc1ccc(OCCN2CCC(C(F)(F)F)CC2)cc1NS(=O)(=O)c1ccc(SC(F)(F)F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.4588215
26621,COc1ccc(OCCN2CCC(Cc3ccc(F)cc3)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.58567834
26622,COc1ccc(OCCN2CCC(Cc3ccc4ccccc4n3)CC2)cc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.6507585
26623,COc1ccc(OCCN2CCN(c3ccccc3OC(C)C)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.9429163
26624,COc1ccc(OCCN=S(C)(=O)O)cc1CCCc1ccc(CF)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.056006957
26625,COc1ccc(OCCS(C)(=O)=O)cc1-c1cc(F)ccc1OCC(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.09273113
26626,COc1cccc(CN2CCN(CCCc3ccc4c(c3)OC(=O)C4)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5602002
26627,COc1cccc2c1CCN2C(=O)CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5068492
26628,COc1cccc2c1CN1CCc3cc(-c4ccc(C)c(Cl)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63844883
26629,COc1cccc2ccc(C(=O)Nc3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)cc12,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.42359444
26630,COc1ccccc1N1CCC(NCCOc2ccc(OC)c(S(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.37596378
26631,CSc1ccccc1N1CCN(CCN2CCC(c3nc(-c4ccccc4)cn3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7301447
26632,Cc1cc(OCCC(N)=O)ccc1OCN1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31745237
26633,Cc1cc(OCCNS(C)(=O)=O)ccc1OCCCc1cccs1,[*]CCOc1ccc(O[*])c([*])c1,0.108708374
26634,Cc1cc2c(cc1-c1cc(F)cc(F)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.683476
26635,ClC1CCN(CCN2CCN(c3ccccc3Cc3ccsc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7735296
26636,ClCCCN1CCN(Cc2cccc(-c3ccccc3-c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6964663
26637,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)c1cccc2c1-c1ccccc1C2=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49601176
26638,O=C(O)c1cccc2c1CN1CCc3cc(OCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4742648
26639,O=C1c2ccc(CCCN3CCN(Cc4cccc(Cl)c4)CC3)cc2C(=O)N1c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67270184
26640,O=c1ccn(CCCN2CCN(Cc3cccc(F)c3)CC2)o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65867525
26641,OC=Cc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.80597407
26642,Oc1cc2c(cc1Cl)C1Cc3cccc(OCCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7391141
26643,CCCOc1ccc(OF)c(CCOc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26608658
26644,CCCOc1ccc(ON(C)C)c(NC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.025982229
26645,CCCOc1ccc(ON2CCN(c3ccc(CCC)cn3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30137756
26646,CCCOc1ccc(ON=S(C)(=O)O)c(C2CCN(c3ccc(C)cc3)CC(C)O2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08527468
26647,CCCOc1ccc(OSC)c(NCc2coc3ccccc23)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11701502
26648,CCCc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8139272
26649,CCOCCCN1CCN(Cc2cccc(CNC(=O)C3CC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.37524045
26650,CCOc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc(O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74378556
26651,CCOc1ccccc1N1CCN(Cc2cc(OCCC(=O)OC)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.65743756
26652,CNC(=O)CCOc1ccc(OC)c(C2CCN(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34729075
26653,COC1CCN(CCN2CCN(c3ccccc3-c3cnno3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7562654
26654,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3cccc4c3-c3ccccc3C4=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.45787212
26655,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc(C)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7897124
26656,COC1CCN(CCN2CCN(c3ccccc3S(=O)(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64527076
26657,COCCCN1CCN(Cc2cccc(C3CCc4ccc(O)cc4C3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.712049
26658,COCCCN1CCN(Cc2cccc(Cn3ccc(C)cc3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48998493
26659,COCCOc1ccc(OC)c(N2CCN(c3ccccc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29895243
26660,COCCOc1ccc(OC)c(NCCC(=O)c2ccc3ccccc3c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.021596514
26661,COOc1ccc(OCCN2CCN(Cc3ccc(F)c(OC)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.46132484
26662,COOc1ccc(OCCc2cccc(OCC(F)(F)F)c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.115620464
26663,COc1cc2c(cc1CO)CCN1Cc3c(CNc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5576921
26664,COc1cc2c(cc1O)C1Cc3cccc(C(=O)OCc4ccc(Br)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5350143
26665,COc1cc2c(cc1O)CCN1Cc3c(cccc3S(=O)(=O)OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6725987
26666,COc1cc2c(cc1OC)C1Cc3cccc(CN=C4C=CC=CC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57958317
26667,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(Br)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.85105073
26668,COc1ccc(OCCCC(=O)c2ccc(SC)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.0514087
26669,COc1ccc(OCCCN2CCC(c3ccccc3OC3CC3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.74429923
26670,COc1ccc(OCCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5762554
26671,COc1ccc(OCCCNCc2ccco2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.18674554
26672,COc1ccc(OCCN2CCN(C(=O)Cc3ccccc3)CC2)cc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.20292938
26673,COc1ccc(OCCN=S(C)(=O)O)cc1Cc1cccc(NC=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07707906
26674,COc1ccc(OCCNCCc2cccs2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.18168299
26675,COc1ccc2c(c1)CCC(NC(=O)c1ccccc1N1CCN(CCN3CCC(OC)CC3)CC1)C2,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67002916
26676,COc1cccc(CN2CCN(CCCC3C=C(c4ccccc4)C(=O)N3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5547724
26677,COc1cccc(CN2CCN(CCCCC3Nc4ccccc4C(=O)N3c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54263055
26678,COc1ccccc1Cc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1Br,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33515823
26679,COc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3cccc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82169193
26680,COc1ccccc1N1CCN(CCN2CCC(c3cccc(O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83079284
26681,COc1ccccc1N1CCN(Oc2ccc(OCCSC)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31089178
26682,Cc1cc(OCCC(C)COc2ccccc2)ccc1ON1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.42053887
26683,Cc1cc(OCCNC(=O)Cc2ccc(F)cc2)ccc1ONC(=O)CSc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.018213067
26684,Cc1cc(OCCNCC(=O)c2ccc(F)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.058762245
26685,Cc1ccc(C(=O)NCCN2CCN(O)CC2)cc1-c1ccccc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.24806315
26686,Cc1ccccc1N1CCN(CCN2CCC(Cc3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65217894
26687,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cc4ccccc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.63128126
26688,Clc1cccc(CN2CCN(CCCCN3CCCCC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6651878
26689,Fc1ccc(SCCCCN2CCN(Cc3cccc(F)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6112742
26690,O=C(c1ccc(Cl)cc1)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7490587
26691,O=C1c2ccccc2C(c2cccc(CN3CCN(CCCCl)CC3)c2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6139023
26692,O=[N+]([O-])c1ccc(CCc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5579807
26693,Oc1cc2c(cc1N=CC1CC1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7196212
26694,Oc1ccc(-c2ccccc2)c(C2CCN(CCN3CCN(c4ccccc4O)CC3)CC2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6809625
26695,Oc1cccc2c1CN1CCc3cc(-c4cc(F)cc(Cl)c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7141534
26696,CC1Cc2ccccc2CN(Cc2cc(OCCF)ccc2OS(C)(=O)=O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.27301118
26697,CCCCc1cccc(-c2cc(OCCC)ccc2OSC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10600587
26698,CCCOc1ccc(ON2CCN(c3cccc(C(F)(F)F)c3)CC2)c(NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.288164
26699,CCCOc1ccc(OO)c(N2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3419009
26700,CCCOc1ccc(OOC(C)=O)c(N2CCN(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19759703
26701,CCCOc1ccc(OOC)c(N2CCN(c3ccccc3C(=O)OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1163352
26702,CCCOc1ccc(OS(C)=O)c(N2CCCC(CCc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26206267
26703,CCCOc1ccc(OSC)c(CN2CCN(Cc3cc4ccccc4o3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.68071926
26704,CCN(C)Cc1cc(OCCNC(=O)c2cc3ccccc3o2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.07341976
26705,CCOc1ccccc1N1CCN(CCN2CCC(c3ccsc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82189745
26706,CCc1cccc2c1CN1CCc3cc(O)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6836197
26707,CN=Cc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.781568
26708,CNCS(=O)(=O)c1ccccc1C(=O)Nc1cc(OCCF)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.027054928
26709,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3cccc(C#N)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7532318
26710,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccn4nccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.35109088
26711,COC1CCN(CCN2CCN(c3ccccc3S(=O)(=O)Nc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73299813
26712,COCCCN1CCN(Cc2cccc(C3OCc4cc(O)ccc4C3(C)C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60403156
26713,COCCCN1CCN(Cc2cccc(CN3CCCc4ccccc4C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7029273
26714,COCCOc1ccc(OC)c(NCC2CCc3ccc(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.41971406
26715,COCCOc1ccc(OCCCOc2ccccc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17723404
26716,COc1cc2c(cc1-c1ccc(COc3ccccc3)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6410358
26717,COc1cc2c(cc1C(N)=O)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52146584
26718,COc1cc2c(cc1O)C1Cc3cccc(CNOc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7102997
26719,COc1cc2c(cc1OC)C1Cc3cccc(CSc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6635514
26720,COc1cc2c(cc1OC)CC(CNCCOc1ccc(ON)c(C)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.3076321
26721,COc1ccc(COc2cc3c(cc2OC)C2Cc4cccc(Cc5ccc(OC)cc5)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7031255
26722,COc1ccc(OCCC2CCN(Cc3ccc(F)cc3)C2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.57425964
26723,COc1ccc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1S[SH]=O,[*]CCOc1ccc(O[*])c([*])c1,0.6200573
26724,COc1ccc(OCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C=CCO,[*]CCOc1ccc(O[*])c([*])c1,0.7633324
26725,COc1ccc(OCCNC(=O)Cc2ccc3ccccc3c2)cc1N(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.0114050135
26726,COc1ccc(OCCNC(=O)c2ccc(SC)cc2)cc1N1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.23758304
26727,COc1ccc(OCCNCC2CCc3c(cccc3SC)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.36548665
26728,COc1ccc(OCCNS(C)(=O)=O)cc1NC1CCCC(Cc2ccc3c(c2)NC(=O)CC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.24270822
26729,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(Cc2ccc(OC3CCC(=O)NC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2606597
26730,COc1ccc(OCCS(N)(=O)=O)cc1CCOc1ccc(C2CCCCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.15812209
26731,COc1ccc(OCCSC)cc1N1CCC(Cc2ccc3c(c2)NC(=O)CCC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3512916
26732,COc1cccc(CN2CCN(CCCCCc3csc(-c4ccccc4)n3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6813982
26733,COc1cccc(CN2CCN(CCCCN3c4ccccc4CS3(=O)=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.74912
26734,COc1cccc(CN2CCN(CCCCc3cc(C)cc(=O)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6838279
26735,COc1cccc(CN2CCN(CCCCc3ccc4ccccc4n3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6231849
26736,COc1cccc2c1CN1CCc3cc(-c4ccc[nH]4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77240044
26737,COc1cccc2c1CN1CCc3cc(C#N)c(Oc4cccnc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6725525
26738,COc1cccc2c1CN1CCc3cc(C(=O)c4ccc(N(C)C)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47083765
26739,COc1ccccc1N1CCN(CCN2CCC(C(=O)Nc3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.49824986
26740,COc1ccccc1N1CCN(CCN2CCC(Nc3ccc(-c4ccccc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8788013
26741,COc1ccccc1N1CCN(CCN2CCC(c3ccnc(O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7940136
26742,Cc1cc(OCCCN2CCC(c3ccc(F)cc3)CC2)ccc1OC(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6721086
26743,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(Cc2ccc(OC3CCCC(=O)N3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1461708
26744,Cc1cc(OCCNCCc2ccccc2)ccc1O[SH](=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2090789
26745,Cc1ccccc1OCC(=O)NCCOc1ccc(OS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.016015708
26746,FC(F)(F)OCCCN1CCN(Cc2cccc(CNc3ccc4ccccc4n3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.52934766
26747,NC(=O)Nc1cccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3302616
26748,O=C1CCN(CCN2CCN(c3ccccc3-c3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76964605
26749,CC(=O)c1cc2c(cc1C)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47637698
26750,CCCNOc1ccc(OCCC)cc1-c1ccc(OC)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09352511
26751,CCCOOc1ccc(OCCN2CCN(c3ccccc3OC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.84618634
26752,CCCOc1ccc(ON(C)S(C)(=O)=O)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.086061604
26753,CCCOc1ccc(ON(C)S(C)(=O)=O)c(NCc2ccccc2OC2CCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1691655
26754,CCCOc1ccc(ON2CCN(C)CC2)c(NC(=O)Cc2ccc3ccccc3c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09488336
26755,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(Oc3ccc(CC4CCCC4)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17700693
26756,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(Cc3ccc4c(c3)CNC(=O)C4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36255053
26757,CCCOc1ccc(OOC)c(N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27289888
26758,CCOc1ccccc1CN1CCN(CCOc2ccc(OC)c(SC)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.59631294
26759,CCOc1ccccc1N1CCN(CCOc2ccc(OC)c(C(O)C=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.79801613
26760,CN1CCN(CCNC(=O)c2ccc(O)c(-c3cccc(Cl)c3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.36579818
26761,CN=S(=O)(O)Oc1ccc(OCCNCc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.24512671
26762,CNc1ccccc1N1CCN(CCNC(=O)c2ccc(OC)c(OC)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.51562244
26763,COC1CCN(CCN2CCN(c3ccccc3C(O)c3cc4ccccc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7778974
26764,COCCOc1ccc(OC)c(Cc2ccco2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.098754264
26765,COOc1ccc(OCCN2CCC(S(C)(=O)=O)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.59326804
26766,COc1cc2c(cc1-c1ccccc1[N+](=O)[O-])CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53256315
26767,COc1cc2c(cc1C(N)=O)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6202813
26768,COc1cc2c(cc1O)CCN1Cc3c(cccc3C3=CCCCC3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6530185
26769,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3ccc4c(c3)OCO4)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5660471
26770,COc1ccc(CC2CCCN(CCOc3ccc(OC)c(OC)c3)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.4730084
26771,COc1ccc(OCCC(=O)COc2ccc(CC(F)(F)F)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.035979085
26772,COc1ccc(OCCC(=O)N2CCN(C)CC2)cc1-c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.16364284
26773,COc1ccc(OCCN2CC=C(c3ccccc3F)CC2)cc1NC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.20666353
26774,COc1ccc(OCCN2CCC(C(=O)c3ccccc3C)CC2)cc1SC(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5042746
26775,COc1ccc(OCCN2CCC(Nc3cccc(Cl)c3)C2=O)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.20365301
26776,COc1ccc(OCCN2CCC(c3ccccc3F)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.61854315
26777,COc1ccc(OCCNC(=O)c2cccs2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.033608492
26778,COc1ccc(OCCNC(C)c2ccc(Cl)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.06617879
26779,COc1ccc(OCCOCc2ccccc2)cc1CN1CCN(C=[SH](=O)CSC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.41730067
26780,COc1cccc(CN2CCN(CCCC(=O)c3ccccn3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5566489
26781,COc1cccc(CN2CCN(CCCCN3CCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.8016715
26782,COc1cccc(COc2cc3c(cc2C)CCN2Cc4c(cccc4OC)CC32)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64333475
26783,COc1cccc2c1CN1CCc3cc(-c4ccc(CCF)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77249205
26784,COc1cccc2c1CN1CCc3cc(-c4cccc(O[N+](=O)[O-])c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47412017
26785,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(OC)CC2)cc1OC(C)C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.4342538
26786,COc1ccccc1C1CCN(CCN2CCN(c3ccccc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71167123
26787,COc1ccccc1N1CCN(CCN2CCC(c3nc4ccccc4s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8387451
26788,CSc1ccc(S(=O)(=O)NOc2ccc(OCCNC(=O)Cc3ccccc3)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.01191926
26789,Cc1cc(OCCCN2CCCC(c3ccccc3)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.558691
26790,Cc1cc(OCCN2CCC(Cc3ccc4ccccc4c3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.6149743
26791,Cc1cc(OCCN2CCN(Cc3cc4ccccc4o3)CC2)ccc1OS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.48558813
26792,Cc1cc(OCCO)ccc1ONCCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.08436572
26793,Cc1cc(OCCOS(C)(=O)=O)ccc1ON1CCC(Cc2ccc3c(c2)NC(=O)CCC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2878564
26794,Cc1cc(OCCS(C)(=O)=O)ccc1OOCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.1144616
26795,Cc1cc2c(cc1O)C1Cc3cccc(-c4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5450323
26796,Cc1ccc(CN2CCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.37387562
26797,Cc1ccccc1N1CCN(CCN2CCC(CNC(=O)Oc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6518501
26798,Cc1ccccc1N1CCN(CCN2CCC(c3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68753874
26799,Clc1ccccc1N1CCN(CCN2CCC(n3ccc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7797786
26800,O=c1oc(-c2ccccc2)ccc1-c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55787426
26801,Oc1cc2c(cc1-c1ccccc1F)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6360488
26802,C=S(=O)(O)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72362846
26803,CC(C)c1ccc(CS(=O)(=O)Cc2cc(OCCF)ccc2ONS(C)(=O)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.061523207
26804,CCC(=O)Nc1cccc(CCCN2CCN(Cc3cccc(OC)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.19297633
26805,CCCCN1CCN(Cc2cccc(-c3ccccc3OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57001466
26806,CCCCNCCOc1ccc(OC)c(OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17377257
26807,CCCOc1ccc(OF)c(CCOc2ccc3c(c2)N(CC)C(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23464003
26808,CCCOc1ccc(OOC)c(NC(=O)COc2ccc(CC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.011573968
26809,CCCOc1ccc(OS(C)(=O)=O)c(N2CCN(c3ccccc3OC(C)C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37308335
26810,CCCOc1ccc(OS(N)(=O)=O)c(SCCc2ccc3c(c2)CC(CC)CCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30831617
26811,CCCOc1ccc(OSC)c(Cc2ccccc2OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14812031
26812,CCOC1CCN(CCN2CCN(c3ccccc3-c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8112535
26813,CCOc1ccccc1N1CCN(CCOc2ccc(ON=S(C)(=O)O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6221945
26814,CCc1cccc2c1CN1CCc3cc(SC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7490598
26815,CCc1ccccc1OC1CCN(Oc2ccc(OCCS(C)(=O)=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24376139
26816,CN(Cc1ccccc1)Cc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6353148
26817,COC(=O)C1CCc2ccc(CCCc3cc(OCCF)ccc3OC)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.3561028
26818,COCCCN1CCN(Cc2cccc(-c3cc(-c4ccccc4)no3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5307884
26819,COCCCN1CCN(Cc2cccc(CN3C(=O)Cc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60962427
26820,COCCOc1ccc(OC)c(-c2ccc(OCCF)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08520676
26821,CON1CCN(CCNC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])c(O[O-])c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3369922
26822,COc1cc2c(cc1OC=Cc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73039275
26823,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(cccc3OCCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7934266
26824,COc1cc2c(cc1[N+](=O)C(C)=O)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5224887
26825,COc1ccc(C(=O)NCCN2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.63015294
26826,COc1ccc(COC(=O)c2cc3c(cc2OC)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5159354
26827,COc1ccc(COc2cc3c(cc2OC)CCN2Cc4c(cccc4OC(F)(F)F)CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7622959
26828,COc1ccc(OCCF)cc1CN1CCN(C(=O)c2ccc(C(C)C)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.08920054
26829,COc1ccc(OCCN=S(C)(=O)O)cc1CCCc1ccc2c(c1)CCCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.21107036
26830,COc1ccc(OCCS(C)(=O)=O)cc1NC1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.16495979
26831,COc1cccc(CN2CCN(CCCc3cc(C=Cc4ccccc4)co3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6808851
26832,COc1ccccc1C(=O)C1CCN(CCN2CCN(c3ccccc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6106727
26833,COc1ccccc1N1CCN(CCN2CCC(c3ccncc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.91745377
26834,COc1ccccc1N1CCN(CCN2CCC(n3ccc4ccccc4c3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81321263
26835,COc1ccccc1NCCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53957576
26836,CSOc1ccc(OCCN2CCC(NS(=O)(=O)c3ccc(C(C)C)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.56310326
26837,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)ccc1ON=S(C)O,[*]CCOc1ccc(O[*])c([*])c1,0.6213679
26838,Cc1cc(OCCNCCc2ccccc2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.20132178
26839,Cc1cc(OCCc2ccc(F)cc2)ccc1OCN1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4972822
26840,Cc1ccccc1N1CCN(CCN2CCC(n3ccc(-c4ccccc4O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65311533
26841,ClC1CCN(CCN2CCN(c3ccccc3-c3cc(-c4ccccc4)ncn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7673004
26842,ClC1CCN(CCN2CCN(c3ccccc3-c3cccs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80176353
26843,ClCCCN1CCN(Cc2cccc(CCc3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.793653
26844,ClCCCN1CCN(Cc2cccc(Nc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5780627
26845,FC(F)(F)c1ccc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79000366
26846,O=C(Cc1cc(O)nc2ccccc12)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6217243
26847,O=C1c2ccccc2S(=O)(=O)N1Cc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66789305
26848,O=CCCN1CCN(Cc2cccc(Cc3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58274424
26849,O=Cc1cccc(-c2cccc(CN3CCN(CCCCl)CC3)c2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62855136
26850,O=[N+]([O-])C1CCN(CCN2CCN(c3ccccc3-c3cc(O)nc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6138948
26851,Oc1cc2c(cc1-c1cccc(NC3CCCCC3)c1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.30876327
26852,Oc1cccc2c1CN1CCc3cc(C(O)Nc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5187686
26853,[O-][N+](O)=Cc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63226205
26854,C=COc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7862234
26855,CC1CC(=O)Nc2c(Oc3cccc(CN4CCN(CCCCc5ccccc5)CC4)c3)cccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55965763
26856,CC1CCN(CCN2CCN(c3ccccc3-c3cc4ccccc4n3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7176999
26857,CC1CCN(CCN2CCN(c3ccccc3Cc3ccc(O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7436853
26858,CCCCn1cc(C(=O)NCCOc2ccc(ON3CCN(c4ccccc4OC)CC3)c(C)c2)nn1,[*]CCOc1ccc(O[*])c([*])c1,0.2515307
26859,CCCOc1ccc(OC(=O)c2cccnc2)c(N2CCN(c3ccccc3C(F)(F)F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12866397
26860,CCCOc1ccc(OCN2CCN(c3ccccc3OC)CC2)c(N)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8584371
26861,CCCOc1ccc(ON)c(CCN2CCC(F)(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.57742333
26862,CCCOc1ccc(ON2CCC(C(O)c3ccc(F)cc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34929657
26863,CCCOc1ccc(ON2CCN(c3ccc(CCF)cc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34351644
26864,CCCOc1ccc(ONS(C)(=O)=O)c(NCC2CCCCC2COc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2696874
26865,CCCOc1ccc(OOC)c(N2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4106746
26866,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14571905
26867,CCCOc1ccc(OS(N)(=O)=O)c(CCCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11905337
26868,CCCOc1ccc(OSC)c(CCNc2ccccn2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07142727
26869,CCOc1cccc2c1CN1CCc3cc(Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7065865
26870,CCOc1ccccc1-c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5049258
26871,CNOc1ccc(OCCc2ccccc2OCCF)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.19206317
26872,CNc1cccc(-c2cc3c(cc2OC)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5431278
26873,COCCCN1CCN(Cc2cccc(-c3cc4ccccc4c(=O)o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55083746
26874,COCCCN1CCN(Cc2cccc(CN3CC(c4ccccc4)=CC3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55232024
26875,COCCOc1ccc(OCN2CCN(c3ccccc3OC(C)C)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6613555
26876,COCc1cc2c(cc1Cc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59396505
26877,COOc1ccc(OCCNS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.037469756
26878,COc1cc2c(cc1-c1ccc[nH]1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78440624
26879,COc1cc2c(cc1C)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69619817
26880,COc1cc2c(cc1C=Cc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8342874
26881,COc1cc2c(cc1O)C1Cc3cccc(CCN4CCc5ccccc5C4=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6636082
26882,COc1ccc(C(=O)NCCN2CCN([N+](=O)[O-])CC2)cc1-c1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29847485
26883,COc1ccc(OCCC(O)CCc2ccc3c(c2)NC(=O)CC3)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.1982243
26884,COc1ccc(OCCN2CCC(Cc3ccc(OC4CCC(=O)NC4)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.53120387
26885,COc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1S(=O)(=O)C1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.015988044
26886,COc1ccc(OCCS(N)(=O)=O)cc1-c1ccc(C2CCNCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.19162837
26887,COc1ccc2cc(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)c(O)nc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66087323
26888,COc1cccc(O)c1-c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.733278
26889,COc1cccc2c1CN1CCc3cc(O)c(Oc4c(OC)cccc4OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6659187
26890,COc1ccccc1N1CCCN(c2cc(OCCC=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29359868
26891,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccccc3-c3ccco3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83447874
26892,C[SH](=O)(Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)c1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53957146
26893,Cc1cc(OCCN2CCC(Oc3ccc(C(N)=O)cc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.41122496
26894,Cc1cc(OCCNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.07741522
26895,Cc1cc2c(cc1O)C1Cc3cccc(OCc4cccc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6291483
26896,Cc1ccccc1CN1CCN(CCOc2ccc(ON)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.54230326
26897,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)c1ccco1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5825845
26898,O=C(NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)c1ccc2ncccc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7644324
26899,O=C(Nc1ccc(F)cc1)C1CCN(CCN2CCN(c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.47465506
26900,O=C1C=C[SH](=O)(CCCN2CCN(Cc3cccc(Cl)c3)CC2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62259525
26901,O=C1NC(CCCN2CCN(Cc3cccc(Cl)c3)CC2)Cc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6636843
26902,O=c1ccc2ccc(CCCN3CCN(Cc4cccc(OCCF)c4)CC3)cc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6362389
26903,Oc1cccc2c1CN1CCc3cc(C4CC4O)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6909734
26904,Oc1cccc2c1CN1CCc3cc(CSc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5718884
26905,C=NOCc1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57820576
26906,CC(=O)NC1CCC(CCCN2CCN(Cc3cccc(Cl)c3)CC2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5768866
26907,CC(=O)c1ccc(N2CCN(CCOc3ccc(OOS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.5712386
26908,CC(C)c1ccccc1N1CCN(CCN2CCC(Nc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7664973
26909,CCCOc1ccc(OC)c(CNS(=O)(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06433315
26910,CCCOc1ccc(OCn2cccc2C=O)c(N=CO)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08412529
26911,CCCOc1ccc(ON=S(C)(=O)O)c(COc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21015862
26912,CCCOc1ccc(OOCC)c(N2CCN(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31892198
26913,CCCOc1ccc(OS(C)(=O)=O)c(CCCc2ccc(C3CCNCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1992281
26914,CCCOc1ccc(OSC)c(N2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20440112
26915,CCCOc1ccc(O[SH](C)(N)=O)c(N2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35921407
26916,CCNC(=O)Oc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48090038
26917,CCOc1ccccc1N1CCN(CCN2CCC(c3ccccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83381796
26918,CON1CCN(CCNC(=O)c2ccc(-c3cc(C)ccc3C)c(O)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.19490968
26919,COc1cc2c(cc1CCl)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79334176
26920,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccc([N+](C)=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6546516
26921,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(S(C)(=O)=O)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56757224
26922,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3ccncc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7303831
26923,COc1ccc(C(=O)Nc2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.33468223
26924,COc1ccc(C2CCN(Cc3cc(OCCS(C)(=O)=O)ccc3OC)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.53807294
26925,COc1ccc(OCCCc2ccccc2)cc1CN1CCCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.69057226
26926,COc1ccc(OCCN(C)S(C)(=O)=O)cc1N1CCC(Oc2ccc(CC3CCCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31111455
26927,COc1ccc(OCCN2CCC(Cc3cccs3)CC2)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.63814086
26928,COc1ccc(OCCN2CCC(c3cccc(C(F)(F)F)c3)CC2)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6360312
26929,COc1ccc(OCCN2CCCC(Cc3ccc(F)cc3)C2)cc1Br,[*]CCOc1ccc(O[*])c([*])c1,0.5407455
26930,COc1ccc(OCCN2CCCC(Cc3ccccc3)C2)cc1S(=O)(=O)[O-],[*]CCOc1ccc(O[*])c([*])c1,0.37893432
26931,COc1ccc(OCCN=S(=O)(O)O)cc1N1CCC(CC(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23598945
26932,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Oc2ccc(C3CCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29571307
26933,COc1ccc(OCCc2ccn(C)c2)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.123829566
26934,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc(-c4ccncc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7929502
26935,COc1ccccc1N1CCN(CCN2CCC(c3ccc4cc(Oc5ccccc5)ccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7410472
26936,COc1ccccc1N1CCN(CCN2CCC(c3csc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7930607
26937,CS(=O)(=O)c1cc(OCCF)ccc1ON1CCN(C=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20262237
26938,CSOc1ccc(OCCNC2CC(=O)C=C2c2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.11157582
26939,Cc1cc(OCCN2CCC(c3ccc(C(=O)c4ccccc4)cc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.48669454
26940,Cc1cc(OCCN2CCCC(Cc3ccccc3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.41953704
26941,Cc1cc(OCCN=S(C)(=O)O)ccc1OC(O)CCc1ccc2c(c1)CC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.10922403
26942,Cc1cc(OCCN=S(C)(=O)O)ccc1Oc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.05488433
26943,Cc1cc(OCCNS(=O)(=O)c2cccc(F)c2)ccc1ON1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3543366
26944,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCC(c2ccc(OC3CCCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19312151
26945,FCCCN1CCN(Cc2cccc(NCc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4797028
26946,Fc1cccc(CN2CCN(CCCc3nc(-c4ccccc4)cs3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49427468
26947,O=C(NCCCCN1CCN(Cc2cccc(CF)c2)CC1)c1cc2ccccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67501456
26948,O=S(=O)(CCCN1CCN(Cc2cccc(Cl)c2)CC1)N1CCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.71200705
26949,O=[N+]([O-])c1cc2c(cc1-c1ccc3[nH]ccc3c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39415687
26950,O=c1ccc2cccc(CCCN3CCN(Cc4cccc(Cl)c4)CC3)c2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5557346
26951,O=c1oc2ccccc2n1-c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60103565
26952,Oc1nc2ccccc2cc1-c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65579796
26953,CC(=O)Oc1ccc(OCCN2CCN(c3ccc(Cl)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.623005
26954,CC1(C)CN(c2cccc(CN3CCN(CCCCl)CC3)c2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63000166
26955,CCCOc1ccc(OCN2CCN(c3ccccc3OCC)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7238552
26956,CCCOc1ccc(OF)c(C(=O)N2CCc3ccc(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16378832
26957,CCCOc1ccc(ON)c(N2CCN(Cc3cccc(OC)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.73035777
26958,CCCOc1ccc(OSC)c(CNC(=O)c2ccccc2OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.026012296
26959,CCCOc1ccc(OSC)c(N2C(=O)CCc3ccc(CC4CCCCC4)cc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22771788
26960,CCCOc1ccc(OSC)c(NCC2CCc3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.41835788
26961,CCNC(=O)c1cc2c(cc1Cl)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5039101
26962,CCOc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7444277
26963,CCOc1ccccc1N1CCN(CCN2CCC(n3cc(Br)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81331676
26964,CCOc1ccccc1N1CCN(CCOc2ccc(ON)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7427667
26965,CCc1ccccc1N1CCN(CCN2CCC(n3ccc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69282675
26966,COC1CCN(CCN2CCN(c3ccccc3-c3cccc4ccc(O)nc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76619005
26967,COC1CCN(CCN2CCN(c3ccccc3-n3cc(-c4ccccc4)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7711869
26968,COC1CCN(CCN2CCN(c3ccccc3C(O)c3ccc4cccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65508074
26969,COC1CCN(CCN2CCN(c3ccccc3CC3CCc4ccc(O)cc4C3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78050804
26970,COCC=Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7068974
26971,COCCOc1ccc(ON2CCC(Cc3ccccc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3444048
26972,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccc(C)c(C)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.167714
26973,COc1cc2c(cc1O)C1Cc3cccc(-c4cccs4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74629635
26974,COc1cc2c(cc1O)C1Cc3cccc(C(=O)OCc4ccc(Oc5ccccc5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4857505
26975,COc1cc2c(cc1O)CCN1Cc3c(cccc3C3CCCN3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7677757
26976,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)Nc4ccc(C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.29724738
26977,COc1cc2c(cc1OC)C1Cc3cccc(COc4ccccc4[N+](=O)[O-])c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5226631
26978,COc1ccc(OCCCN=O)cc1CCNC(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.038094252
26979,COc1ccc(OCCCS(=O)(=O)Cc2ccc(F)cc2)cc1CN1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.27982417
26980,COc1ccc(OCCN2CCC(c3ccccc3OC3CC3)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.6174305
26981,COc1ccc(OCCN2CCCCC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.30361655
26982,COc1ccc(OCCNCCc2ccc3c(c2)CC(=O)CC3)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.12686846
26983,COc1ccc(OCCc2ccc(C(C)=O)cc2)cc1CN1CCC(C(=O)c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4475753
26984,COc1cccc(CN2CCN(CCCC(=O)OCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4679968
26985,COc1cccc(CN2CCN(CCCC3Cc4ccccc4N3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72541505
26986,COc1cccc(CN2CCN(CCCc3cc(=O)[nH]o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6064771
26987,COc1cccc2c1CN1CCc3cc(-c4ccccc4C)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6668407
26988,COc1ccccc1C(=O)NCCCCOc1ccc(OC)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.048700985
26989,COc1ccccc1CN1CCN(Oc2ccc(OCCOS(C)(=O)=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.39614192
26990,COc1ccccc1N1CCN(CCN2CCC(Cc3ccc4nc(S)ccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7413022
26991,CSOc1ccc(OCCN2CCCC(Cc3ccc(F)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.49864355
26992,CSOc1ccc(OCCN2CCN(Cc3ccc(C(F)(F)F)cc3F)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5039891
26993,Cc1cc(OCCC(O)COc2ccc3c(c2)NC(=O)CC3)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.14991449
26994,Cc1cc(OCCF)ccc1OCN1CCc2ccc(S(C)(=O)=O)cc2CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29457265
26995,Cc1cc(OCCF)ccc1ONC(=O)C1CCN(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31371608
26996,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCC4)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6280904
26997,Cc1cc(OCCNC(=O)c2ccc(-c3ccccc3)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.014544998
26998,Cc1cc(OCCOCc2ccccc2)ccc1OC(=O)C1CCCN1,[*]CCOc1ccc(O[*])c([*])c1,0.10345393
26999,Cc1ccc(C)c(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6842853
27000,ClCCCN1CCN(Cc2cccc(Cc3ccc(Cl)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68203235
27001,O=C(NCCN1CCN(O)CC1)c1ccc(O)c(-c2ccccn2)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.39432478
27002,O=C1CCCCN1c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4051078
27003,O=C1Cc2ccccc2N(CCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)C1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69881237
27004,Oc1cc2c(cc1-c1ccn[nH]1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.725839
27005,Oc1cc2c(cc1O)C1Cc3cccc(CC4CC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78014266
27006,CC(=O)Oc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60568124
27007,CC(=O)Oc1cccc(CN2CCN(CCCN3c4ccccc4CC3C)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5701222
27008,CC(C)Oc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8048836
27009,CC(C)c1ccccc1N1CCN(CCN2CCC(F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71670455
27010,CC1(C)Cc2ccccc2N1CCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6218308
27011,CCCN(C)c1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.80156344
27012,CCCOc1ccc(OC(C)=O)c(N2CCN(c3cccc(F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19727352
27013,CCCOc1ccc(ON)c(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3173671
27014,CCCOc1ccc(ON2CCC(Nc3ccc(F)cc3)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2363499
27015,CCCOc1ccc(ON2CCC(c3ccc(F)cc3)CC2)c(OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40976772
27016,CCCOc1ccc(ON2CCN(Cc3ccccc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6513663
27017,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23668279
27018,CCOC(=O)Nc1cccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.2949012
27019,CCOc1cccc(C2CCN(CCOc3ccc(OC)c(S(C)(=O)=O)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.68340373
27020,CNC(=O)c1cc2c(cc1O)C1Cc3cccc(CO)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44521603
27021,COC1CCN(CCN2CCN(c3ccccc3-c3cccc(Cl)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8004911
27022,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccco3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.43022513
27023,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4cnc(O)cc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.850507
27024,COCCCN1CCN(Cc2cccc(-c3ccc4ccoc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5988952
27025,COCCOc1ccc(OC)c(C2CCN(C(=O)c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11039735
27026,COCCOc1ccc(OC)c(N2CCC(Nc3ccccc3C(C)C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28096524
27027,COCCOc1ccc(OC)c(N2CCCC(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30555502
27028,COc1cc2c(cc1O)C1Cc3cccc(CNCc4cccc(F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6719403
27029,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc([N+](=O)c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61952186
27030,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(C#Cc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.80662674
27031,COc1ccc(CNC(=O)c2cccc3c2CN2CCc4cc(OC)c(CO)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4364809
27032,COc1ccc(Cl)cc1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80589646
27033,COc1ccc(OCCC(CCc2ccc3c(c2)NC(=O)CC3)OC)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.22508727
27034,COc1ccc(OCCN(C)C)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.83252084
27035,COc1ccc(OCCN2CC=C(c3ccccc3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3790781
27036,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.71470827
27037,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1CN1CCC(C(=O)O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.34019372
27038,COc1ccc(OCCNC(=O)c2ccc(SC)cc2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.03127725
27039,COc1ccc(OCCNCC(C)=O)cc1N1CCCC(Cc2ccc(OC3CCCC3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.11527477
27040,COc1ccc(OCCNCCc2ccccc2)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13204226
27041,COc1ccc(OCCOS(C)(=O)=O)cc1CF,[*]CCOc1ccc(O[*])c([*])c1,0.08213903
27042,COc1ccc(OCCS(C)(=O)=O)cc1CN1CCC(F)(c2ccc(C(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4146908
27043,COc1ccc(OCCSC)cc1CCCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.18970212
27044,COc1cccc(CCCCCN2CCN(Cc3cccc(F)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6411054
27045,COc1cccc(CN2CCN(CCCC3OCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69865394
27046,COc1cccc(CNCc2cc3c(cc2OC)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5735107
27047,COc1cccc2c1CN1CCc3cc(C)c(OS(=O)(=O)C(F)(F)F)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6313384
27048,COc1ccccc1CC1CCN(CCOc2ccc(OCS(N)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5452415
27049,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc4c(c3)OCO4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70068365
27050,COc1ccccc1N1CCN(CCN2CCC(NOCc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.86552215
27051,COc1ccccc1N1CCN(c2cc(OCCCN)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3253545
27052,COc1ccccc1OC1CCN(CCN2CCN(c3ccccc3C(C)C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76725006
27053,CSc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6994332
27054,Cc1cc(OCCNC(=O)COc2ccc3c(c2)NC(=O)CC3)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.04734241
27055,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCC(Oc2ccc(C3CCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19633715
27056,Cc1cc(OCCSNS(C)(=O)=O)ccc1ON1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.21137677
27057,O=C(NCCCN1CCN(Cc2cccc(O)c2)CC1)c1cc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4451148
27058,O=C1Cc2ccccc2N1c1cccc(CN2CCN(CCCO)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.71949
27059,O=S(=O)(NCc1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48608452
27060,Oc1cc2c(cc1CNCc1cccc(Cl)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51329535
27061,Oc1ccc2nc(Oc3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)ccc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6927887
27062,CC#Cc1cc2c(cc1O)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6413124
27063,CCCOc1ccc(OC(=O)NSC)c(NC(=O)Cc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.055013537
27064,CCCOc1ccc(ON2CCC(c3ccccn3)CC2)c(NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13355173
27065,CCCOc1ccc(ON2CCOC(Cc3ccc(F)cc3)C2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33829725
27066,CCCOc1ccc(OS(C)(=O)=O)c(C(C)Cc2ccc(OCC(F)(F)F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.041047227
27067,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(OCCc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2931328
27068,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)COc2ccccc2CCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0075670066
27069,CCCOc1ccc(OS(N)(=O)=O)c(N2C(=O)CCc3cc(CC4CCC4)ccc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21706496
27070,CN1CCN(CCNC(=O)c2ccc([O-])c(-c3ccccc3[N+](=O)[O-])c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30695117
27071,CNCCOc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66591144
27072,COC1CCN(CCN2CCN(c3ccccc3Cc3ccc(C#N)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7486733
27073,COCCOc1ccc(OC)c(Cc2ccc(C(=O)F)cn2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.032746535
27074,CON1CCN(CCNC(=O)c2ccc(S(C)(=O)=O)c(-c3ccccc3C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32023433
27075,COOc1ccc(OCCN2CCC(O)(c3ccc(SC)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.57172716
27076,COOc1ccc(OCCNC(=O)COc2cccc(CN3CCCC3)c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.06448281
27077,COc1cc2c(cc1C(C)C)CCN1Cc3c(cccc3Oc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71061474
27078,COc1cc2c(cc1O)C1Cc3cccc(COc4cccc(C(F)(F)F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78197694
27079,COc1cc2c(cc1O)C1Cc3cccc(Cc4cc[nH]c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6888852
27080,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccccc4[N+](=O)[O-])c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53415173
27081,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(C)OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.81358224
27082,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCC=Cc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71228194
27083,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(CSc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65962154
27084,COc1ccc(OCCCOc2ccc(F)cc2)cc1CNS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13518986
27085,COc1ccc(OCCCS(N)(=O)=O)cc1N1CC2CCC(CCS2)C1Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.21010083
27086,COc1ccc(OCCF)cc1C=O,[*]CCOc1ccc(O[*])c([*])c1,0.073673986
27087,COc1ccc(OCCN2CCC(c3cccc4cc(C)ccc34)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5140441
27088,COc1ccc(OCCN=C[SH](C)(=O)O)cc1N1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2564971
27089,COc1ccc(OCCSC)cc1CCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.10429974
27090,COc1cccc2c1CN1CCc3cc(-c4ccc([N+](=O)O)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6367472
27091,COc1ccccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1O[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3087423
27092,COc1ccccc1N1CCN(CCN2CCC(c3cc(Br)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8378016
27093,COc1ccccc1N1CCN(CCN2CCC(n3c(O)cc4ccc5ccccc5c43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7677263
27094,COc1ccccc1N1CCN(CCNC(=O)c2ccc(C)c(O)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.9133688
27095,Cc1cc(OCCN(C)C)ccc1OCN1CCCCS1,[*]CCOc1ccc(O[*])c([*])c1,0.28127357
27096,Cc1cc(OCCN2CCC(CCc3ccc4c(c3)NC(=O)CC4)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.63208216
27097,Cc1cc(OCCN2CCC(c3ccc(OC4CC4)c(CCC(N)=O)c3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.47462326
27098,Cc1cc(OCCNC(=O)c2ccc(C(C)C)cc2)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.017147169
27099,Cc1ccc(=O)n(CCCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6045545
27100,Clc1ccccc1N1CCN(CCN2CCC(c3nccs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.88644147
27101,Fc1ccc(-c2ncc(C3CCN(CCN4CCN(c5ccccc5Cl)CC4)CC3)o2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76103544
27102,Fc1ccc(C#CCOc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80999225
27103,O=C(Nc1ccccc1CO)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3152835
27104,O=C(O)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5711747
27105,O=C1c2ccccc2CCCN1c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.76422715
27106,O=c1cccc(-c2cccc(CN3CCN(CCCF)CC3)c2)o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66753685
27107,OC(c1ccccc1)c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5544684
27108,Oc1cc(-c2ccccc2N2CCN(CCN3CCC(O)CC3)CC2)c2ccccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6883369
27109,Oc1cc2c(cc1C=NOCc1ccccc1)CCN1Cc3c(F)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6910336
27110,Oc1ccc(-c2ccc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)cc2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75638497
27111,Oc1ccccc1N1CCN(CCN2CCC(n3cc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73581105
27112,c1cc(CN2CCN(CCCOC3CCCCC3)CC2)cc(-c2ccc3ccccc3c2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67677057
27113,CCCN1CCCC(c2cc(OCCF)ccc2ON=S(C)(=O)O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.47756395
27114,CCCOc1ccc(OC(O)COc2ccc3c(c2)NCCC3)c(C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18292195
27115,CCCOc1ccc(OC)c(N2CCN(CC(C)C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.59291506
27116,CCCOc1ccc(ON2CCN(C(C)=O)CC2)c(NCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08031259
27117,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(c3coc4ccc(F)cc34)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2692392
27118,CCCOc1ccc(OOC(C)=O)c(N2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24321073
27119,CCCOc1ccc(OS(C)(=O)=O)c(CCCc2ccc(F)c(F)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08070487
27120,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC3Cc4ccccc4CCC3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3131722
27121,CCCc1cccc2c1CN1CCc3cc(OCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74413747
27122,CCOC(=O)CCOc1ccc(ON2CCC(C(=O)c3ccc(SC)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11270967
27123,CCOc1cccc(C2CCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6369918
27124,CCOc1ccccc1N1CCN(CCN2CCC(n3ccc(C)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8168387
27125,CCc1ccc(COc2cc3c(cc2OC)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7067006
27126,CCc1ccc(OC2CCN(c3cc(OCCS(=O)(=O)O)ccc3OC)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.2402353
27127,CCc1cccc2c1CN1CCc3cc(OC)c(NC(=O)OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36606118
27128,CN(C)c1ccc(COc2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.743676
27129,COC(=O)OCc1ccc(Cc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4041498
27130,COC1CCN(CCN2CCN(c3ccccc3-c3ccccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.819865
27131,COC1CCN(CCN2CCN(c3ccccc3-c3ncc(-c4ccccc4)s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80350226
27132,COOc1ccc(OCCN2CCC(Cc3ccc4ccccc4cc3=O)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.58321553
27133,COc1cc(C(=O)NCCN2CCN(O)CC2)ccc1-c1ccccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26092574
27134,COc1cc2c(cc1-c1ccc(Cl)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77773535
27135,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)OCc3cccc([N+](=O)[O-])c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38878587
27136,COc1cc2c(cc1O)CCN1Cc3c(cccc3CN3CCN(c4cccc5ccccc45)CC3=O)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49250793
27137,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc(C(=O)c5ccco5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42657518
27138,COc1cc2c(cc1OC)C1Cc3cccc(OCc4ccncc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6781495
27139,COc1ccc(C(=O)NCCN2CCN(c3ccccc3C)CC2)cc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.59051687
27140,COc1ccc(OCCC(O)Cc2ccccc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.045449756
27141,COc1ccc(OCCCC(=O)c2ccc(Cl)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.032258175
27142,COc1ccc(OCCCC(=O)c2ccc(SC)c(OC)c2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.058221836
27143,COc1ccc(OCCCC2CCN(c3ccc(F)cc3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.27411363
27144,COc1ccc(OCCCCc2ccccc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.093887486
27145,COc1ccc(OCCCN2CCC(c3cccc(C(F)(F)F)c3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6879407
27146,COc1ccc(OCCCNC(=O)c2cccc(Cl)c2)cc1N1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.34873047
27147,COc1ccc(OCCF)cc1NC(=O)C1CCc2ccc(C(N)=O)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.19370829
27148,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)CC(=O)CC4)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.48866972
27149,COc1ccc(OCCN=S(C)(=O)O)cc1C1CCCC(Cc2ccc3c(c2)NC(=O)CC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2965304
27150,COc1cccc(CN2CCN(CCCCNc3cccc(C(F)(F)F)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4865136
27151,COc1cccc2c1CN1CCc3cc(Oc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7463869
27152,COc1cccc2c1ccn2-c1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8052146
27153,COc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7804075
27154,CSOc1ccc(OCCC(=O)COc2ccc(C(F)(F)F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.017983325
27155,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)NC(=O)CC3)ccc1ON(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.046174474
27156,Cc1cc(OCCNC(=O)c2ccc3c(c2)NC(=O)CC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08991499
27157,Cc1cc(OCCS(C)(=O)=O)ccc1OCc1ccc(C2CCNCC2=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.10016288
27158,Cc1ccccc1N1CCN(CCN2CCC(C(=O)N3c4ccccc4CC3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5723661
27159,Nc1cccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69904023
27160,Oc1cc2c(cc1-c1cccc(C(F)(F)F)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7202529
27161,Oc1cc2c(cc1Cc1cc3ccccc3[nH]1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6475047
27162,Oc1cccc2c1CN1CCc3cc(-c4ccno4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6345546
27163,Oc1cnc2ccc(OCc3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)cc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6124051
27164,CC(=O)NOc1ccc(OCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6149704
27165,CC(C)c1ccccc1N1CCN(CCN2CCC(CNc3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7464135
27166,CCCOc1ccc(OCl)c(NC(=O)c2cccc(CCC)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.021124138
27167,CCCOc1ccc(ONC=O)c(CN2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5408595
27168,CCCOc1ccc(OOC)c(CNc2cccc(F)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10927301
27169,CCOCCOc1ccc(OC)c(N2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3534883
27170,CCOc1ccc(Cc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6431234
27171,CCOc1ccccc1N1CCN(CCN2CCC(c3cn4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8340142
27172,CCOc1ccccc1N1CCN(CCOc2ccc(OC)c(OCSC)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.75871485
27173,CN(C)Cc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7559142
27174,COC(=O)Nc1ccc(Cc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35017914
27175,COCCCN1CCN(Cc2cccc(-c3ccc4cc(OC)ccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4803081
27176,COCCOc1ccc(Oc2cc(NC(C)=O)ccn2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.01613992
27177,COc1cc(C(=O)NCCN2CCN(C)CC2)ccc1-c1ccc([N+](=O)[O-])cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.17806205
27178,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccc5cccc(C)c5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6620125
27179,COc1cc2c(cc1O)C1Cc3cccc([N+](=O)c4ccc(C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61499214
27180,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)NCc3cccc(C(F)(F)F)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5244544
27181,COc1cc2c(cc1OC)C1Cc3cccc(F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.86304396
27182,COc1ccc(-c2ccc3c(c2)OCC(c2ccccc2N2CCN(CCN4CCC(OC)CC4)CC2)O3)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7305735
27183,COc1ccc(C(=O)NCCN2CCN(Oc3ccccc3OC)CC2)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3059912
27184,COc1ccc(CN(C)c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73753995
27185,COc1ccc(OCCCl)cc1N1CCN(c2ccccc2OCCF)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.48888418
27186,COc1ccc(OCCF)cc1CN1CCN(S(=O)(=O)Oc2cccc(C(C)C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.35788807
27187,COc1ccc(OCCN2CCC(NC(=O)c3cccc(F)c3F)C2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.55447584
27188,COc1ccc(OCCN2CCC(c3cc4ccccc4o3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.6926479
27189,COc1ccc(OCCN=S(C)(=O)O)cc1CN1CCC(Oc2ccccc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2899961
27190,COc1ccc(OCCNCCc2ccc(F)cc2)cc1S(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.16254278
27191,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(c2ccccc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24912284
27192,COc1cccc(C2CCN(CCN3CCN(c4ccccc4O)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7727504
27193,COc1cccc(CN2CCN(CCCC(=O)c3cc4ccccc4cn3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5662339
27194,COc1cccc(OC)c1-c1ccc(C(=O)NCCN2CCN(O)CC2)cc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.24142669
27195,COc1cccc2c1CN1CCc3cc(NC(=O)NCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34824926
27196,COc1cccc2ccn(C3CCN(CCN4CCN(c5ccccc5SC)CC4)CC3)c12,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78196615
27197,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cc4ccccc4oc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8399585
27198,COc1ccccc1N1CCN(CCN2CCC(c3ccc(NC(C)=O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6682585
27199,COc1ccccc1N1CCN(Oc2ccc(OCCc3cc(F)ccn3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3025819
27200,CSOc1ccc(OCCN2CCCC(C(=O)c3ccc(F)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.30303818
27201,CSc1ccc(CN2CCN(Oc3ccc(OCCNS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.27774534
27202,Cc1cc(OCCC(=O)COc2ccc(F)cc2)ccc1ONC(=O)C1CCCN1,[*]CCOc1ccc(O[*])c([*])c1,0.088260375
27203,Cc1cc(OCCCC2CCc3ccccc3C2O)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2356406
27204,Cc1cc(OCCN2CCC(Sc3ccccc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5119589
27205,Cc1cc(OCCNCCc2ccsc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1776529
27206,Cc1cc(OCCOC(=O)CCc2ccc3c(c2)NCCC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.084688
27207,Cc1cc2c(cc1S(=O)(=O)c1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5555524
27208,Cc1cccc(CN2CCN(CCCc3cc4ccccc4s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62258106
27209,O=C(Nc1cccc(CN2CCN(CCCCl)CC2)c1)c1ccco1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3098812
27210,O=C(c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)C1CCC1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5102061
27211,O=Cc1cc2c(cc1O)C1Cc3cccc(CO)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67429906
27212,OC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80084497
27213,OCCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6350413
27214,ON=Cc1cc2c(cc1O)C1Cc3cccc(Br)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6448028
27215,Oc1ccc(Sc2cccc(CN3CCN(CCCCl)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65627
27216,Oc1oc2ccccc2c1-c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68757904
27217,CC(=O)NOc1ccc(OCCNCCc2ccc3c(c2)OC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.11467573
27218,CC1CCN(CCN2CCN(c3ccccc3-c3cccc(O)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76056916
27219,CCCCc1cccc(Nc2cc(OCCOC)ccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07916439
27220,CCCOc1ccc(ONS(C)(=O)=O)c(C(O)COc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21624894
27221,CCNC(=O)Nc1cc2c(cc1C)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32780486
27222,CCOCCOc1ccc(OC)c(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31754628
27223,CCOc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(-c4ccc(F)cn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7742595
27224,CCc1ccc(C#N)cc1-c1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64632064
27225,COC1CCN(CCN2CCN(c3ccccc3-n3ccc(C4CCCCC4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6921116
27226,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3cnc(O)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6812119
27227,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4c(c3)C(=O)NCC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8391782
27228,COCCCN1CCN(Cc2cccc(N3C(=O)CCc4c(OC)cccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55572647
27229,COOc1ccc(OCCCCF)cc1N1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.34961224
27230,COOc1ccc(OCCNC(=O)COc2ccc3c(c2)NCCC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.060434587
27231,COc1cc2c(cc1C(O)(F)F)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61766833
27232,COc1cc2c(cc1CCNc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56456554
27233,COc1cc2c(cc1O)C1Cc3cccc(CN(C)CCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7779557
27234,COc1cc2c(cc1O)C1Cc3cccc(Cc4cccc5cccc(OC)c45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75187236
27235,COc1cc2c(cc1O)CCN1Cc3c(CNOCc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6703237
27236,COc1cc2c(cc1O)CCN1Cc3c(cccc3Oc3ccc(C)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68355477
27237,COc1ccc(C2CCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.6242277
27238,COc1ccc(CO)c(-c2cc3c(cc2OC)CCN2Cc4c(C)cccc4CC32)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6629991
27239,COc1ccc(OCCCC(=O)c2ccc(F)cc2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.096266024
27240,COc1ccc(OCCCN)cc1CN1CCCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.68117243
27241,COc1ccc(OCCCl)cc1N1CCN(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4054761
27242,COc1ccc(OCCN=S(C)(=O)O)cc1C1CCN(CCF)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5538161
27243,COc1ccc(OCCN=S(C)(=O)O)cc1CN1CCC2CCC(CC2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.36876646
27244,COc1ccc(OCCNC(=O)c2cccs2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.023036717
27245,COc1ccc(OCCNCc2cccs2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16244219
27246,COc1ccc(OCCNS(C)(=O)=O)cc1OCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.1273046
27247,COc1ccc(OCCS(C)(=O)=O)cc1CF,[*]CCOc1ccc(O[*])c([*])c1,0.075039126
27248,COc1ccc(OCCS(C)(=O)=O)cc1NCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06878284
27249,COc1ccc(OCCS(N)(=O)=O)cc1NCCc1ccc(OC2CCCCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.11893177
27250,COc1ccc2c(c1)C(CNCCOc1ccc(OS(C)(=O)=O)c(C)c1)C(C)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.25902218
27251,COc1cccc(C#Cc2cc3c(cc2OC)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6516794
27252,COc1cccc(C(=O)NC2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)c1OC,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.86605763
27253,COc1cccc(C(=O)c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5618725
27254,COc1cccc(CN2CCN(CCCN3SCCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7225923
27255,COc1cccc(CN2CCN(CCCc3ccc4oc(C(N)=O)cc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49820912
27256,COc1ccccc1CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6197241
27257,COc1ccccc1N1CCN(CCN2CCC(c3ccc(C#Cc4ccccc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9048932
27258,COc1ccccc1N1CCN(Oc2ccc(OCCCF)cc2OS(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31424984
27259,COc1ccccc1N1CCN(Oc2ccc(OCCN=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24797371
27260,CS(=O)(=O)NOc1ccc(OCCF)cc1CNCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.07983196
27261,CSOc1ccc(OCCN2CCCC(Cc3ccc(SC)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.45273718
27262,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1C=CC(=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.119360834
27263,Cc1cc(OCCNCc2ccc(OC3CCCCC3)cc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.14520209
27264,ClCCCN1CCN(Cc2cccc(-c3cc(-c4ccccc4)cs3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.637346
27265,ClCCCN1CCN(Cc2cccc(C3=Nc4ccccc4OC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6373258
27266,Clc1ccccc1N1CCN(CCN2CCC(c3ccn(-c4ccccn4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7804659
27267,FCCCN1CCN(Cc2cccc(-c3ccccc3-c3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7230929
27268,O=C(NCCN1CCN(F)CC1)c1ccc(F)c(-c2ccccc2[N+](=O)[O-])c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3276668
27269,O=C1N[SH](=O)(CCCN2CCN(Cc3cccc(F)c3)CC2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5511378
27270,CCCCC1=CC=COC(c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)=C1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48029694
27271,CCCCc1ccccc1N1CCN(CCOc2ccc(OC)c(OC)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7557311
27272,CCCOCc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71990126
27273,CCCOc1ccc(OC(C)=O)c(N2CCC(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20900117
27274,CCCOc1ccc(OC)c(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22088574
27275,CCCOc1ccc(OC=O)c(N2CCN(c3cc(F)ccc3F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33277875
27276,CCCOc1ccc(OCCC(=O)c2ccc(F)cc2)c(OCC2CCCN2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27374983
27277,CCCOc1ccc(OCN2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11098846
27278,CCCOc1ccc(ON(C)[SH]=O)c(N2CCC(Oc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29739153
27279,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24814412
27280,CCCOc1ccc(ONC=O)c(N2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3360665
27281,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(Oc3ccc(CC4CCCC4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26097733
27282,CCCc1cccc2c1CN1CCc3cc(OC)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74786437
27283,CNc1cc2c(cc1OC)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6635847
27284,COCC1CCCc2ccc(C(C)=O)cc2C1Cc1cc(OCCN=S(C)(=O)O)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.18650362
27285,COCCCN1CCN(Cc2cccc(CNC(=O)c3ccc(Cl)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.45278397
27286,COCCOc1ccc(OCN2CCC(Cc3ccccc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.42438653
27287,COOc1ccc(OCCN2CCC(O)(c3ccc(Cl)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5002108
27288,COOc1ccc(OCCNC(=O)COc2ccc(SC)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.012449276
27289,COc1cc(C(=O)NCCCCN2CCN(Cc3cccc(Cl)c3)CC2)cc2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58738947
27290,COc1cc2c(cc1Nc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5498891
27291,COc1cc2c(cc1O)CCN1Cc3c(CNc4ccc(C)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4121474
27292,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3c(CO)cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.667599
27293,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(O)c3ccc4ccccc4c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6588989
27294,COc1cc2c(cc1OC)C1Cc3cccc(COCc4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69392896
27295,COc1ccc(CNc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4615858
27296,COc1ccc(COc2cccc3c2CN2CCc4cc(OCc5ccccc5)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7580259
27297,COc1ccc(OCCCS(=O)(=O)c2ccc(F)cc2)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07959045
27298,COc1ccc(OCCN2CCC(c3ccco3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.6413115
27299,COc1ccc(OCCNC(C)c2ccccc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.11489
27300,COc1ccc(OCCOS(C)(=N)=O)cc1N1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2695373
27301,COc1cccc(C(=O)c2ccccc2N2CCN(CCN3CCC(C)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68024224
27302,COc1cccc2c1CN1CCc3cc(CNC(=O)O)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40625644
27303,COc1ccccc1-c1cc(C(=O)NCCN2CCN(C(C)O)CC2)ccc1S(C)(=O)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.36840653
27304,CS(=O)(=O)NOc1ccc(OCCF)cc1CNCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.12860073
27305,Cc1cc(OCCCN2CCN(C)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4640486
27306,Cc1cc(OCCCOc2ccc(F)cc2)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.14875689
27307,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)CC(=O)CC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.05006477
27308,Cc1ccccc1N1CCN(CCN2CCC(C(=O)NCc3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.56915873
27309,ClC1CCN(CCN2CCN(c3ccccc3-c3cnc4ccccn34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67683053
27310,Clc1cccc(CN2CCN(CCCCc3cccc(C=Cc4ccccc4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.78234774
27311,Clc1cccc(CN2CCN(CCCc3cccc(C=Cc4ccccc4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6912212
27312,Clc1ccccc1N1CCN(CCN2CCC(c3ncc4ccccn34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85638154
27313,O=C(Nc1ccc(Cl)cc1Cl)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43985468
27314,O=C1CCc2ccccc2N1CCCN1CCN(Cc2cccc(OC(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7250786
27315,Oc1c(-c2ccccc2)ccn1-c1ccccc1N1CCN(CCN2CCC(F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7248298
27316,Oc1cc2c(cc1C=NOCc1cccc(F)c1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56819123
27317,Oc1cc2c(cc1C=NOCc1ccco1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56055
27318,Oc1ccc2cc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)cc(O)c2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66495085
27319,Oc1ncc(-c2ccccc2)cc1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76236
27320,CC1CCN(CCN2CCN(c3ccccc3-c3ccc(O)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78118557
27321,CCCOc1ccc(OCC2CCc3cc(F)ccc3N2)c(C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40073454
27322,CCCOc1ccc(OCO)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.82783705
27323,CCCOc1ccc(OF)c(CC2CCN(C(=O)CNC(=O)c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07409265
27324,CCCOc1ccc(OF)c(CN2CCN(C(=O)OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11168689
27325,CCCOc1ccc(ON(C)C)c(N2CCCC(c3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36510748
27326,CCCOc1ccc(ON)c(CC2CCN(c3cccc(C(F)(F)F)c3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35864106
27327,CCCOc1ccc(ON2CCC(c3ccccc3CC)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39422548
27328,CCCOc1ccc(ON2CCCC(CCc3ccccc3)C2)c(NS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25122902
27329,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCC(=O)C(c3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2438726
27330,CCCOc1ccc(OS(C)(=O)=O)c(NCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.066111706
27331,CCCOc1ccc(OS(N)(=O)=O)c(CNc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09573357
27332,CCOC(=O)CCOc1ccc(OC)c(CNCC2CCc3ccc(S(C)(=O)=O)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1432443
27333,CN(C)c1cccc2ccc(-c3cc4c(cc3O)C3Cc5cccc(Cl)c5CN3CC4)cc12,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61138445
27334,COC(=O)Nc1cccc(-c2cccc(CN3CCN(CCCc4ccccc4)CC3)c2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3306065
27335,COC1CCN(CCN2CCN(c3ccccc3C(=O)NC3CCCc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6864391
27336,COCCOc1ccc(OCN2CCN(C(C)c3cccc(Cl)c3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32801938
27337,COOc1ccc(OCCF)cc1CN1CCCN(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.79281473
27338,COOc1ccc(OCCNC(=O)Cc2cccc(OC)c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.015756555
27339,COc1cc(C(=O)NCCN2CCN(C)CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2689648
27340,COc1cc2c(cc1-c1ccc(C#N)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74564695
27341,COc1cc2c(cc1-c1ccc(C)c(C)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57375467
27342,COc1cc2c(cc1C)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78550994
27343,COc1cc2c(cc1C)CCN1Cc3c(cccc3OCc3ccc4ccccc4c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.607754
27344,COc1cc2c(cc1CCc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77805555
27345,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(C(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74147433
27346,COc1cc2c(cc1OC)C1Cc3cccc(-c4cccc5c(CO)cccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6358882
27347,COc1ccc(C(=O)NCCN2CCN(OC(C)=O)CC2)cc1-c1ccccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27859065
27348,COc1ccc(C(=O)c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c(OC)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5525982
27349,COc1ccc(OCCCS(=O)(=O)c2ccc(F)cc2)cc1OC(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.067004025
27350,COc1ccc(OCCCc2ccc(F)c(S(C)(=O)=O)c2)cc1N1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.27837738
27351,COc1ccc(OCCN2CCC(c3cc(Cc4ccccc4)on3)CC2)cc1C(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.51986253
27352,COc1ccc(OCCOCC=O)cc1N1CCN(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.30143324
27353,COc1ccc(OCCc2ccc(C(C)=O)cc2)cc1CN1CCC(S(=O)(=O)c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3548103
27354,COc1cccc(CN2CCN(CCCCCc3cc4ccccc4s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.73010504
27355,COc1ccccc1N1CCN(CCN2CCC(CN3C(=O)c4ccccc4C3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7765101
27356,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cc[nH]c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8598806
27357,COc1ccccc1N1CCN(CCN2CCC(OCc3ccc4c(c3)NC(=O)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8387766
27358,COc1ccccc1N1CCN(CCOc2ccc(OC)c(S(C)(=O)=O)c2)C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.33926588
27359,CSOc1ccc(OCCN2CCC(NS(=O)(=O)c3cc(Cl)ccc3F)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.58595616
27360,CSc1ccc(C2CCN(Oc3ccc(OCCNS(=O)(=O)C(F)(F)F)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.24737272
27361,Cc1cc(OCCF)ccc1OCN(C)S(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.040762953
27362,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(Cc2ccc3ccccc3c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.14951178
27363,Cc1cc(OCCNC(c2ccccc2)C2CCCCN2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.1447942
27364,Cc1cc(OCCNCc2ccccc2)ccc1OOC1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.2828772
27365,Cc1cccc2c1CN1CCc3cc(O)c(OCc4cccc(CO)c4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5272069
27366,FC(F)(F)CCCN1CCN(Cc2cccc(CNc3ccc4ccccc4n3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51433474
27367,FCCCN1CCN(Cc2cccc(C3=CCOc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.73862123
27368,Fc1ccc(OCc2cccc(CN3CCN(CCCCl)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.636267
27369,O=C(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1cccc(O)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.47962394
27370,Oc1cc2c(cc1Cl)CCN1Cc3c(CNOCc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6759674
27371,c1ccc(COCCCN2CCN(Cc3cccc(-c4ccccc4)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6912681
27372,CC(=O)c1ccc(OC2CCN(CCOc3ccc(ON=S(C)(C)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.44265386
27373,CC(=O)c1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6886499
27374,CCCOc1ccc(ON2CCC(COc3ccc4c(c3)NC(=O)CC4)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.41326484
27375,CCCOc1ccc(ONS(C)(=O)=O)c(OC2CCNCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21677327
27376,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(c3ccc(OCCF)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2526592
27377,CCCOc1ccc(OS(C)(=O)=O)c(OC2CCCc3ccc(OCC4CCCC(=O)N4)cc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30171368
27378,CCOc1ccc(OCCOC)cc1CN1CCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7496152
27379,CCOc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78881955
27380,CCSc1cc(OCCCC2CCN(C(=O)c3ccccc3)CC2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.0696112
27381,CCc1cc(OCCCN2CCN(c3ccccc3OC)CC2)ccc1OF,[*]CCOc1ccc(O[*])c([*])c1,0.863049
27382,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccccc4)o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75484776
27383,COCCCN1CCN(Cc2cccc(-c3cccc(NC(=O)c4ccccc4)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3293147
27384,COCCCN1CCN(Cc2cccc(CNC(=O)C3(C)CCc4ccccc4C3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56146973
27385,COCCCN1CCN(Cc2cccc(N=C3CC(=O)c4ccccc4N3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59564453
27386,CON1CCN(CCNC(=O)c2ccc(O)c(Cc3ccccc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.36205888
27387,COc1cc2c(cc1CNCc1cccc(C#N)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61524117
27388,COc1cc2c(cc1O)C1Cc3cccc(-c4cccn4C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7151375
27389,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(C(F)(F)F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7048855
27390,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccccn3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.675761
27391,COc1cc2c(cc1O)CCN1Cc3c(cccc3CN3CCOCC3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59498537
27392,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc5ccccc5c4CO)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6577007
27393,COc1cc2c(cc1OC)C1Cc3cccc(CNC(C)c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41819513
27394,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccccc4C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75158846
27395,COc1cc2c(cc1OC)CC(CNCCOc1ccc(OS(C)(=O)=O)c(C)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.24925268
27396,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(N(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8040093
27397,COc1ccc(-c2cc3c(cc2C)CCN2Cc4c(O)cccc4CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72147405
27398,COc1ccc(COc2cc3c(cc2OC)CCN2Cc4c(Cc5ccccc5C#N)cccc4CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6445648
27399,COc1ccc(OCCCCNC(=O)c2ccc(C(F)(F)F)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.053973902
27400,COc1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1S(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.48815203
27401,COc1ccc(OCCN2CCC(c3ccccc3)CC2)cc1SC(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.6681956
27402,COc1ccc(OCCNCc2cccs2)cc1CS(=O)(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.16439094
27403,COc1ccc(OCCS(N)(=O)=O)cc1N1CCC2CC(=O)C=CC=CC2C1,[*]CCOc1ccc(O[*])c([*])c1,0.2526889
27404,COc1ccc(OCCS(N)(=O)=O)cc1NC(=O)COc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.008549955
27405,COc1cccc(Cc2cccc3c2CN2CCc4cc(C)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5727823
27406,COc1cccc2c1CN1CCc3cc(Cc4ccccn4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6655867
27407,COc1cccc2c1CN1CCc3cc(NC(=O)C(F)(F)F)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3716194
27408,COc1cccc2c1CN1CCc3cc(OCc4cccc(C(F)(F)F)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6417505
27409,COc1cccc2c1CN1CCc3cc(Oc4ccc(C#N)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7866957
27410,CS(=O)(=O)Oc1cc(OCCNCCc2ccc(F)cc2)ccc1OC(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.16142625
27411,Cc1cc(OCCC=Cc2ccc(F)cc2)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.14767714
27412,Cc1cc(OCCC=Cc2ccc(OC3CCNCC3)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.18191208
27413,Cc1cc(OCCN2CCCC(Cc3ccc(F)cc3)C2)ccc1OS(=O)(=O)N(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.42148343
27414,Cc1cc(OCCN2CCCCC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3162927
27415,Cc1cc(OCCNCCc2cc3ccccc3s2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.12662782
27416,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCCC(c2ccc(CC3CCCCC3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.17099616
27417,Cc1cc(OCCc2ccc(SCCc3ccccc3)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.051295288
27418,Cc1cccc2c1CN1CCc3cc(-c4cccc5ccccc45)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4842521
27419,ClC1CCN(CCN2CCN(c3ccccc3Oc3ccc(Br)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8189186
27420,Clc1ccc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)nn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82632595
27421,Clc1cccc(CN2CCN(CCCn3ccc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.75044733
27422,O=C(OCc1ccccc1)c1cc2c(cc1Cl)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4293253
27423,O=S(=O)(CCCN1CCN(Cc2cccc(F)c2)CC1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5489565
27424,O=c1sc2ccccc2n(-c2cccc(CN3CCN(CCCF)CC3)c2)c1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6863712
27425,c1ccc(OCCCN2CCN(Cc3cccc(-c4ccc5ccccc5c4)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70735914
27426,C#Cc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83107424
27427,CC(=O)S(=O)(=O)OOc1ccc(OCCNCc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.16580682
27428,CC(=O)c1ccccc1S(=O)CCCOc1ccc(ONS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.036122452
27429,CC(C)c1ccccc1N1CCN(CCN2CCC(c3cnccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6917285
27430,CCCC(=O)NCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38233036
27431,CCCCN1CCN(Cc2cccc(Cc3cccc(OC)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57217336
27432,CCCOc1ccc(OC)c(CNc2ccc(C(=O)C3CCNCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.071897976
27433,CCCOc1ccc(OCCN2CCN(c3ccccc3OC)CC2)c(OCCF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.85214275
27434,CCCOc1ccc(OCN2CCN(C(=O)OC)CC2)c(CF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11719383
27435,CCCOc1ccc(ON)c(CNC(=O)c2ccc(NC=O)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.028804263
27436,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3ccc(OC4CCC(=O)NC4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29216623
27437,CCCOc1ccc(OS(N)(=O)=O)c(Cn2cccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1333306
27438,CCCOc1ccc(OSC)c(N2CCCC(c3ccccc3C)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31174326
27439,CCCOc1ccc(OSC)c(N2CCN(c3ccccc3F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31243032
27440,CCOc1cc2c(cc1C#N)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69735277
27441,CCc1ccccc1C1CC=CN(CCOc2ccc(OC)c(C(C)=O)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.18522713
27442,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4sc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8376428
27443,COCc1cccc(Cc2cc3c(cc2OC)CCN2Cc4c(C)cccc4CC32)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5363779
27444,CON=Cc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7421713
27445,COc1cc2c(cc1Cc1cccc(OC(F)(F)F)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65860516
27446,COc1cc2c(cc1N)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7667309
27447,COc1cc2c(cc1O)C1Cc3cccc(-c4c(C#N)cccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6517628
27448,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccc(C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5865074
27449,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)NCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5159126
27450,COc1cc2c(cc1O)CCN1Cc3c(cccc3ON=Cc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73421204
27451,COc1cc2c(cc1OC)C1Cc3cccc(C=NOCc4ccc(F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7070777
27452,COc1cc2c(cc1OC)C1Cc3cccc(OCc4ccc(OC)c5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76275265
27453,COc1ccc(Cc2cc3c(cc2O)C2Cc4cccc(C)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63550556
27454,COc1ccc(OCCCF)cc1N1CCC(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22412312
27455,COc1ccc(OCCN2CCC(C(=O)c3ccccc3)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5487316
27456,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCC4)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.657588
27457,COc1ccc(OCCN2CCC(Cc3ccc4cc(F)ccc4c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5805098
27458,COc1ccc(OCCN2CCC(OCc3ccccc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.68986833
27459,COc1ccc(OCCN2CCC(c3ccc(F)cc3)CC2)cc1OS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.7794275
27460,COc1ccc(OCCN2CCN(Cc3cccc(NC(C)=O)c3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.23553932
27461,COc1ccc(OCCNS(=O)(=O)c2ccc(F)cc2)cc1OC(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.049819347
27462,COc1ccc2c(-c3cc(C(=O)NCCN4CCN(C)CC4)ccc3C)cccc2c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.23274912
27463,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3cc(F)ccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8310326
27464,Cc1cc(OCCCF)ccc1ONS(=O)(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.095121376
27465,Cc1cc(OCCCS(C)(=O)=O)ccc1ON1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.23751386
27466,Cc1cc(OCCN2CCC(COc3ccc4c(c3)NC(=O)CC4)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5971035
27467,Cc1cc(OCCN2CCCC(OCc3ccccc3)C2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.36440244
27468,Cc1cc(OCCNC(=O)COc2cccc(CN3CCCCC3)c2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.06628666
27469,Cc1cc(OCCNS(=O)Cc2ccc(C(C)C)cc2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.12077849
27470,Cc1cc(OCCS(N)(=O)=O)ccc1ON1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27740416
27471,Cc1ccc(OC2CCCN(CCOc3ccc(ON)c(C)c3)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.3352465
27472,Cc1cccc2c1CN1CCc3cc(C(F)(F)F)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5988087
27473,FCCOCCCN1CCN(Cc2cccc(Oc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6494595
27474,O=C(NCc1cccc(CN2CCN(CCCCl)CC2)c1)C1Cc2ccccc2-c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6267081
27475,O=C1c2ccccc2SCN1CCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55483246
27476,O=[N+]([O-])c1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5644551
27477,CC(=O)c1ccccc1S(=O)(=O)NCCOc1ccc(OCOCC2CCCCN2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06769177
27478,CCCNC(=O)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48187992
27479,CCCOc1ccc(OOC)c(N2CCCCC2c2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4500786
27480,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCC(CCc3ccc4c(c3)NC(=O)CCC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37525943
27481,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3ccccc3F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27146578
27482,CCCOc1ccc(OS(C)(=O)=O)c(NCc2ccc(CC(F)(F)F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05094271
27483,CCc1cccc2c1CN1CCc3cc(OC)c(COCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.707745
27484,CN(C)c1ccccc1-c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6641987
27485,CNCCOc1ccc(OC)c(NS(=O)(=O)Cc2ccc(C(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07805665
27486,COC1CCN(CCN2CCN(c3ccccc3-n3cc4ccccc4nc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5944329
27487,COC1CCN(CCN2CCN(c3ccccc3C(=O)Nc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.57589364
27488,COCCCN1CCN(Cc2cccc(C3CCc4cc(OC)ccc4C3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.71119314
27489,COCCOc1ccc(OC)c(CC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.040398497
27490,CONOc1ccc(OCCN2CCC(O)(c3ccccc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.39859977
27491,COOc1ccc(OCCCF)cc1CN1CCN(c2ccccc2OCC(F)(F)F)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.83265877
27492,COc1cc(CNCOc2ccc(OCCF)cc2C)ccc1SC=O,[*]CCOc1ccc(O[*])c([*])c1,0.032318927
27493,COc1cc2c(cc1C#Cc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6626752
27494,COc1cc2c(cc1Cc1ccc(O)c3ccccc13)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67895657
27495,COc1cc2c(cc1Cc1cccc(C#N)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69804895
27496,COc1cc2c(cc1O)C1Cc3cccc(C(O)c4ccc5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6929122
27497,COc1ccc(OCCC(C)=O)cc1CN1CCC(C(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.48607394
27498,COc1ccc(OCCC(C)=O)cc1N1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22002181
27499,COc1ccc(OCCC=S(C)O)cc1CCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.118774325
27500,COc1ccc(OCCN2CCC(S(=O)(=O)c3cccc(F)c3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.68639314
27501,COc1ccc(OCCN2CCC(c3ccccc3)CC2)cc1OC(=O)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.55623
27502,COc1ccc(OCCNS(=O)(=O)c2ccc(F)c(F)c2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.056234345
27503,COc1ccc(OCCOS(C)(=O)=O)cc1CCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.260354
27504,COc1ccc2c(c1)CCN(c1ccccc1N1CCN(CCN3CCC(Cl)CC3)CC1)C2=O,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73219395
27505,COc1cccc(OC)c1Oc1cccc2c1CN1CCc3cc(Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6878639
27506,COc1ccccc1N1CCN(CCN2CCC(n3ccc(F)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8430958
27507,Cc1cc(OCCF)ccc1ONS(=O)(=O)c1ccc(OC2CCNCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.112357415
27508,Cc1cc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6176377
27509,Cc1cc(OCCN2CCC(C(F)(F)F)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.62187743
27510,Cc1cc(OCCNC(=O)COc2ccc3c(c2)NC(=O)C3)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.049704798
27511,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(Cc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3137451
27512,Cc1cc(OCCS(=O)(=O)N(C)C)ccc1ON1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24367721
27513,Cc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1nccc2ccccc12,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2925429
27514,Cc1ccc(OCC(=O)NOc2ccc(OCCS(C)(=O)=O)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.012903938
27515,Cc1ccccc1N1CCN(CCN2CCC(OC(C)C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7234519
27516,Cc1nn(-c2ccccc2N2CCN(CCN3CCC(C)CC3)CC2)cc1-c1ccccc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6412651
27517,ClCCCN1CCN(Cc2cccc(C3(c4ccccc4)CC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6008439
27518,Fc1ccc(CCc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80149543
27519,Fc1cnn(-c2ccccc2N2CCN(CCN3CCC(F)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7822076
27520,N#CCCCN1CCN(Cc2cccc(CNC(=O)c3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5558195
27521,N#Cc1ccccc1Cc1cccc2c1CN1CCc3cc(Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69853026
27522,O=C(C=Cc1ccccc1)NCc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60672355
27523,O=C(NCCCCN1CCN(Cc2cccc(-c3ccccc3)c2)CC1)C1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62642926
27524,O=C1c2ccccc2CCN1Cc1cccc(CN2CCN(CCCO)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7666728
27525,O=S1(c2cccc(CN3CCN(CCCCl)CC3)c2)=Cc2ccccc2C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6756421
27526,O=c1ccc2cc(-c3cccc(CN4CCN(CCCCl)CC4)c3)ccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6899671
27527,Oc1ccccc1-c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61036116
27528,CC(=O)COc1ccccc1N1CCN(Oc2ccc(OCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20405038
27529,CCC(C)(C)c1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62422025
27530,CCC(c1ccc(Cl)cc1)N1CCN(Cc2cc(OCCOC)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.41411176
27531,CCCCN1CCN(Cc2cccc(Oc3ccc4c(c3)NC(=O)CC4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6691026
27532,CCCOc1ccc(OCCNc2ccccc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11152527
27533,CCCOc1ccc(ON2CCN(c3ccc(F)c(F)c3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27709952
27534,CCCOc1ccc(OOC(C)=O)c(N2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17857099
27535,CCCOc1ccc(OS(C)(=O)=O)c(Cn2cc(CCC(F)(F)F)cc2O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07444478
27536,CCCOc1ccc(OS(N)(=O)=O)c(NCCc2ccc(F)cc2F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09665565
27537,CCCOc1ccc(Oc2ccc(F)cc2)c(N2CCCC(Oc3ccccc3C)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2513954
27538,CCOc1ccc(CNCCOc2ccc(ON=S(C)(=O)O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.16222616
27539,CCOc1ccccc1CNCCOc1ccc(ON=S(C)(=O)O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.091950335
27540,CN(C=Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)c1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76666015
27541,COC1CCN(CCN2CCN(c3ccccc3-c3cnc4ccc(O)cc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6439733
27542,COCCOc1ccc(OC)c(CNC(=O)c2ccccn2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03283936
27543,COCCOc1ccc(ON2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36204958
27544,COc1cc2c(cc1O)C1Cc3cccc(OCc4cccs4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8103167
27545,COc1cc2c(cc1OC(C)Nc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60181636
27546,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(CCO)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.713531
27547,COc1ccc(-c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)c(OC)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68638074
27548,COc1ccc(OCCC(C)C)cc1N1CCC(Oc2ccc3ccccc3c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.35368478
27549,COc1ccc(OCCF)cc1CNCC1CCc2cc(OC)c(OC)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.4717178
27550,COc1ccc(OCCN2CCC(c3cccc(C(=O)F)c3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.6425952
27551,COc1ccc(OCCN2CCCC(C(=O)c3cccc(F)c3)C2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.32705233
27552,COc1ccc(OCCN2CCN(C(=O)c3ccc(F)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.21970992
27553,COc1ccc(OCCNC(=O)c2ccc(C(F)(F)F)cc2)cc1CN(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.020910878
27554,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1CN1CCC(SC)C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.14489889
27555,COc1ccc(OCCNCCc2ccsc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.17117167
27556,COc1ccc(OCCS(N)(=O)=O)cc1N1CCCC(Cc2ccc(OC3CCCCC3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.1722045
27557,COc1ccc(OCCc2cc(F)ccc2C(C)=O)cc1CC1CCCN(Cc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.30252987
27558,COc1cccc2c1CN1CCc3cc(C(=O)NCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45122337
27559,COc1ccccc1CC1CCN(CCOc2ccc(OS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5942803
27560,COc1ccccc1N1CCN(CCN2CCC(c3ccccc3OC(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.90436965
27561,COc1ccccc1N1CCN(CCNC(=O)c2ccc(O)c(O)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.94808733
27562,CSOc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCC4)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.47307408
27563,Cc1cc(OCCC=Cc2ccco2)ccc1ON=CN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.16181344
27564,Cc1ccc(COc2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5847068
27565,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)C#Cc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.63045347
27566,Cc1ccccc1N1CCN(CCN2CCC(c3cc(F)ccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.62694114
27567,Cc1ccccc1N1CCN(CCN2CCC(n3c(O)nc4c(F)cccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73430955
27568,FC(F)(F)c1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccccc4)ncn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7035576
27569,N=C(c1ccccc1)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6916885
27570,O=C(Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2)Nc1cc(Cl)ccc1Cl,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40925568
27571,O=C1CC(c2cccc(CN3CCN(CCCF)CC3)c2)Cc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7623809
27572,O=C1CCc2ccccc2N1c1cccc(CN2CCN(CCCOC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.74931127
27573,O=S(=O)(Oc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2)C(F)(F)F,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75171643
27574,O=c1ccc2ccc(OCCCCN3CCN(Cc4cccc(Cl)c4)CC3)cc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7337338
27575,OCc1ccc(Cl)cc1-c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6080808
27576,Oc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(CF)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6619301
27577,Oc1cccc2c1CN1CCc3cc(CN=C4CCc5ccccc5N4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61777264
27578,Oc1ccccc1N1CCN(CCN2CCC(c3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7490132
27579,CCCCc1ccc(Cc2cc(OCCC)ccc2OS(C)(=O)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.087255515
27580,CCCOc1ccc(OCCCc2ccccc2)c(N2CC=C(COC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4358696
27581,CCCOc1ccc(OCS(C)(=O)=O)c(N2CCN(c3ccccc3OCC(C)C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32963422
27582,CCCOc1ccc(OCc2ccccc2)c(CN2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.74314594
27583,CCCOc1ccc(ON2CCN(C(C)=O)CC2)c(Cc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07473134
27584,CCCOc1ccc(ON=S(C)(=O)O)c(NC(=O)Cc2ccc3c(c2)CC(CO)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17318219
27585,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3654681
27586,CCCc1cc(CC2CCN(CCOc3ccc(OC)c(S(C)(=O)=O)c3)CC2)ccc1OC1CCNC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.42714748
27587,CNCCOc1ccc(OC)c(N2CC=C(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.44856724
27588,COC(=O)C1C=CN(Cc2cc(OCCNC(=O)c3ccccc3)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19311267
27589,COC(=O)C1Cc2ccccc2N1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6743227
27590,COC1CCN(CCN2CCN(c3ccccc3-c3ncnc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7378483
27591,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3cncc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.47541377
27592,COCCCN1CCN(Cc2cccc(Oc3cccc4ccc(O)nc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59284806
27593,COCCOc1ccc(OC)c(CNC(=O)c2cc(C)co2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.024134237
27594,COOc1ccc(OCCNCC(=O)c2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.08262956
27595,COc1cc2c(cc1Br)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7102926
27596,COc1cc2c(cc1CO)CCN1Cc3c(C=O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7155226
27597,COc1cc2c(cc1O)C1Cc3cccc(C(=O)OCc4ccc(N5CCCCC5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43636122
27598,COc1cc2c(cc1O)C1Cc3cccc(OC(=O)NCc4ccc(C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39615315
27599,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)OCc3cccc(C#N)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51189697
27600,COc1cc2c(cc1OC)C1Cc3cccc(Oc4ccc(C(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73519623
27601,COc1cc2c(cc1OS(C)(=O)=O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73642105
27602,COc1ccc(C(=O)NCCN2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.6361414
27603,COc1ccc(OCCCC2CCN(C(C)=O)CC2)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1289869
27604,COc1ccc(OCCCN2CCC(c3ccccc3OC)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.74187136
27605,COc1ccc(OCCCS(C)(=O)=O)cc1N1CCCC(Cc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.25544533
27606,COc1ccc(OCCF)cc1CN1CCC(S(=O)(=O)c2cccc(C(C)C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.39814577
27607,COc1ccc(OCCN2CCC(S(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.60376984
27608,COc1ccc(OCCN=S(C)(=O)O)cc1OC1CCC(Nc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.05979873
27609,COc1ccc(OCCS(=O)(=O)c2ccccc2C(C)C)cc1N(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.13235708
27610,COc1ccc(OCCS(C)(=O)=O)cc1C(C)Cc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.22722077
27611,COc1ccc(OCCS(C)(=O)=O)cc1NCCCC1CCc2ccccc2OC1,[*]CCOc1ccc(O[*])c([*])c1,0.2921843
27612,COc1ccc(OCCS(C)(=O)=O)cc1OC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.33344072
27613,COc1cccc(CN2CCN(CCCC3CS(=O)(=O)Cc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62682766
27614,COc1cccc(CN2CCN(CCCCN(C(C)=O)C3CCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5951943
27615,COc1cccc(CN2CCN(CCCN3CCc4c(OC)cccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55522865
27616,COc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3ccc(C#N)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78127193
27617,COc1ccccc1N1CCN(CCN2CCC(c3ccc4[nH]ccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7536062
27618,COc1ccccc1N1CCN(CCNC(=O)c2ccc(C#N)c(C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.9002874
27619,COc1ccccc1NC1CCN(CCN2CCN(c3ccccc3C(C)C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.50417715
27620,CS(=O)(O)=NOc1ccc(OCCF)cc1CCN1CCC(C(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6235183
27621,Cc1cc(OCCCF)ccc1ON1CCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3008561
27622,Cc1cc(OCCF)ccc1ONCSCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.055445
27623,Cc1cc(OCCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6891072
27624,ClC1CCN(CCN2CCN(c3ccccc3-c3ccncc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79972035
27625,ClC1CCN(CCN2CCN(c3ccccc3Oc3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7598728
27626,O=S(=O)(NCc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1)c1cccs1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.557262
27627,O=c1cccc(CCCCN2CCN(Cc3cccc(F)c3)CC2)o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6813229
27628,Oc1cc2c(cc1C=NOc1ccccc1)CCN1Cc3c(Br)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6405889
27629,Oc1cccc2c1CN1CCc3cc(-c4cc(F)cc(C(F)(F)F)c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62934816
27630,C=CONc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61958313
27631,C=NCCOc1ccc(OC)c(CN2CCc3ccc(OCC(F)(F)F)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.46993268
27632,CC(=O)c1ccc2c(c1)CC(C)CN(CCOc1ccc(ON=S(C)(=O)O)c(C)c1)C2,[*]CCOc1ccc(O[*])c([*])c1,0.24840154
27633,CC(C)c1ccccc1N1CCN(CCN2CCC(c3cccc(C#N)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78263706
27634,CCCOc1ccc(OCCOc2ccccc2C)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09005413
27635,CCCOc1ccc(OF)c(N2CNC(=O)C2Cc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12503462
27636,CCCOc1ccc(OS(C)(=O)=O)c(-c2cc(F)ccc2C(=O)CC(F)(F)F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04653797
27637,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3cc(C)on3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21487023
27638,CCOc1ccc(C2CCN(Oc3ccc(OCCSC)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.3142185
27639,CCOc1ccc2cc(OC3CCCN(CCOc4ccc(OC)c(S(N)(=O)=O)c4)C3)ccc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.32422924
27640,COC1CCN(CCN2CCN(c3ccccc3-c3ccc4ccc(C(N)=O)cc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7242429
27641,COC1CCN(CCN2CCN(c3ccccc3-c3ncc(-c4ccccc4)n3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70933604
27642,COCCCN1CCN(Cc2cccc(-c3cccc(NC(=O)C(=O)Nc4ccccc4)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.30498984
27643,COc1cc2c(cc1C(=O)N(C)C)CCN1Cc3c(cccc3Oc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47535884
27644,COc1cc2c(cc1O)C1Cc3cccc(-c4cccc(CN(C)C)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6822475
27645,COc1cc2c(cc1OC)C1Cc3cccc(CN(C)S(=O)(=O)c4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54610914
27646,COc1cc2c(cc1OC)CC(CNCCOc1ccc(OC=O)c(C)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.26057202
27647,COc1cc2c(cc1OCc1ccc(C#N)cc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7013399
27648,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1cccc(O)n1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33560994
27649,COc1ccc(COCc2cccc3c2CN2CCc4cc(OC)c(OCc5ccccc5)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74387926
27650,COc1ccc(COc2cc3c(cc2OC)CCN2Cc4c(Cc5cccc(C#N)c5)cccc4CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5610606
27651,COc1ccc(OCCN2CCC(Oc3ccc(C4CCCCC4)cc3)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5176875
27652,COc1ccc(OCCN2CCC(Oc3ccccc3C3CCCCN3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.68066627
27653,COc1ccc(OCCN2CCC(c3cccc(F)c3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.71964556
27654,COc1ccc(OCCN2CCN(Cc3ccc(F)cc3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.37910548
27655,COc1ccc(OCCN=S(C)(=O)O)cc1NCCc1csc2ccccc12,[*]CCOc1ccc(O[*])c([*])c1,0.034100182
27656,COc1ccc(OCCNC(=O)c2ccc(Cl)c(Cl)c2)cc1CN1CCCC(S(=O)(=O)O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2159875
27657,COc1ccc(OCCNC(C)=O)cc1N1CCN(c2ccccc2C(C)F)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18799652
27658,COc1ccc(OCCNC2CCc3ccc(SC)cc3C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.52784675
27659,COc1ccc(OCCS(C)(=O)=O)cc1C1CCCC(Cc2ccc3c(c2)NC(=O)CC3)CC1O,[*]CCOc1ccc(O[*])c([*])c1,0.32452464
27660,COc1cccc(CN2CCC(NCCOc3ccc(OSC)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.47647792
27661,COc1cccc(CN2CCN(CCCc3cccc4oc(C(N)=O)cc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.43243757
27662,COc1ccccc1-c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65815973
27663,COc1ccccc1Cc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.34803784
27664,COc1ccccc1N1CCN(CCN2CCC(c3cc(O)ncc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6467161
27665,CSOc1ccc(OCCN2CCC(c3ccc(Cl)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.70259744
27666,CSOc1ccc(OCCN2CCOC(CCc3ccc(F)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.38092306
27667,CSOc1ccc(OCCNCc2cccc(S(C)(=O)=O)c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.12044122
27668,Cc1cc(OCCF)ccc1OCN1CCN(C(=O)c2cccc(Cl)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.11533225
27669,Cc1cc(OCCN2CC(O)CCc3ccccc32)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.19863744
27670,Cc1cc(OCCN2CCC(Cc3ccc(F)cc3)CC2)ccc1OC=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.48714024
27671,Cc1cc(OCCN=S(C)(=O)O)ccc1OOc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.05674177
27672,O=C(Nc1cccc2ccccc12)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32654372
27673,O=S(Nc1cccc(CN2CCN(CCCCl)CC2)c1)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5391068
27674,O=c1ccc2cc(-c3cccc(CN4CCN(CCCOC(F)(F)F)CC4)c3)ccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6786996
27675,Oc1cc2c(cc1CCc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.794987
27676,Oc1cc2ccccc2c(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73290753
27677,Oc1ccc(-c2ccccc2N2CCN(CCN3CCC(F)CC3)CC2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7511714
27678,C=CCOc1cccc2c1CN1CCc3cc(OC)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7427391
27679,CC(C)(C)OC(=O)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6279899
27680,CCCOc1ccc(ON2CCN(c3ccccc3OCC)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35583317
27681,CCCOc1ccc(OOC)c(C(O)Cc2ccc3c(c2)N(C(=O)COC)CCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24590032
27682,CCCOc1ccc(OS(=O)(=O)c2cc(SC)ccc2OC)c(N2CCCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0999135
27683,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(COc3ccc4c(c3)CCCC(=O)N4)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31657737
27684,CCCc1ccc(OCCCOc2ccc(OC)c(OC(C)=O)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.05146979
27685,CCOCCCOc1ccc(ON2CCN(C(=O)c3ccccc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0662936
27686,CCOc1cccc2c1CN1CCc3cc(OC)c(OC(C)=O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4917783
27687,CCOc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75400025
27688,CCOc1ccccc1N1CCN(CCN2CCC(c3cccc4nc(C)ccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65830415
27689,CCOc1ccccc1N1CCN(CCOc2ccc(OC(O)C=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6588934
27690,CCc1ccc(CNCc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6649278
27691,CNC(=O)Oc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45808345
27692,COC(=O)c1cc(OCCN2CCC(C(=O)c3cccc(F)c3)CC2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.5115399
27693,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3ccc4ccncc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77752227
27694,COCCCN1CCN(Cc2cccc(CN3c4ccccc4CCC3C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6751104
27695,COCCCN1CCN(Cc2cccc(Cn3ccc(=O)oc3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.430578
27696,CON1CCN(CCNC(=O)c2ccc(C=O)c(-c3ccc(C)cc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.13492925
27697,COOc1ccc(OCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1CCF,[*]CCOc1ccc(O[*])c([*])c1,0.84987307
27698,COOc1ccc(OCCN2CCN(c3ccccc3OCC(C)=O)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6390398
27699,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc(OC(C)C)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69185936
27700,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3cc[nH]c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7635366
27701,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc(COC(=O)O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42905888
27702,COc1cc2c(cc1OCc1ccc(CCF)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8015925
27703,COc1ccc(COc2cc3c(cc2OC)C2Cc4cccc(C(=O)Nc5ccccc5)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38313138
27704,COc1ccc(NC(=O)c2ccccc2N2CCN(CCN3CCC(C)CC3)CC2)c(OC)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4147501
27705,COc1ccc(OCCCF)cc1CNC(=O)C1=CC=C(O)CCSC=CC=C1,[*]CCOc1ccc(O[*])c([*])c1,0.07970016
27706,COc1ccc(OCCN2CCC(NS(=O)(=O)c3cccc(F)c3)CC2)cc1SC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.52555025
27707,COc1ccc(OCCN2CCN(Cc3ccccc3)CC2)cc1O,[*]CCOc1ccc(O[*])c([*])c1,0.6245333
27708,COc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1S(=O)(=O)C1CCCN1,[*]CCOc1ccc(O[*])c([*])c1,0.024375066
27709,COc1ccc(OCCSC)cc1NCC1C(=O)CCc2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.23177229
27710,COc1ccc(OCCc2ccc(S(C)(=O)=O)cc2)cc1N1CCC(C)OC1,[*]CCOc1ccc(O[*])c([*])c1,0.21767537
27711,COc1cccc(CN2CCN(CCCCCn3cc(C)ccc3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6101226
27712,COc1cccc(CN2CCN(CCCc3ccc(OC)c4ccccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6659143
27713,COc1ccccc1N1CCN(CCN2CCC(C(=O)Nc3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69662666
27714,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cc4ccccc4o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9014689
27715,COc1ccccc1N1CCN(CCN2CCC(c3cc4ccccc4nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87252337
27716,COc1ccccc1N1CCN(CCN2CCC(c3ccc(Cl)c(O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.89174426
27717,COc1ccccc1N1CCN(CCN2CCC(c3nc(-c4ccccc4)cnc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7834901
27718,CSc1ccc(C2CCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.6640379
27719,Cc1cc(OCCF)ccc1ONCC1CNc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.276814
27720,Cc1cc(OCCN2CCC(COc3ccc(F)cc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5698944
27721,Cc1cc(OCCNC(=O)COc2ccc(CS)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.024771968
27722,Fc1ccc(CCCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.78610677
27723,O=C(Nc1ccc(Cl)cc1)Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.25885218
27724,O=C(OCc1ccccc1)C1CCN(CCN2CCN(c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5397705
27725,O=[N+](c1ccccc1)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6388758
27726,Oc1cc2c(cc1Cc1c[nH]c3ccccc13)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6627932
27727,CC(=O)c1ccccc1N1CCN(CCN2CCC(c3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6313398
27728,CC1CCN(CCN2CCN(c3ccccc3-n3c(O)nc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65056276
27729,CCC(=O)Nc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.31779036
27730,CCCCc1ccc(F)cc1CCOc1ccc(OC)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6606311
27731,CCCOc1ccc(OCOc2ccc(F)cc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12865387
27732,CCCOc1ccc(OCS(C)(=O)=O)c(N2CCC(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37385696
27733,CCCOc1ccc(ONCc2ccc(F)cc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11494259
27734,CCCOc1ccc(OOC)c(CF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1219096
27735,CCCOc1ccc(OS(=O)(=O)NC)c(N2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35178545
27736,CCCOc1ccc(OS(C)(=O)=O)c(-c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07959681
27737,CCCOc1ccc(OS(C)(=O)=O)c(NCCC2CCc3ccc(F)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38224697
27738,CCCOc1ccc(OS(N)(=O)=O)c(CCCc2ccc3c(c2)N(C)C(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26504067
27739,CCCc1ccccc1S(=O)(=O)Nc1cc(OCCCS(C)(=O)=O)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.09152132
27740,CCN1C(=O)CCc2ccc(OCCc3cc(OCCN=S(C)(=O)O)ccc3OC)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.17616586
27741,CCN1CCC(CCOc2ccc(OC)c(NS(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4014305
27742,CCOOc1ccc(OCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.7864751
27743,CCc1cccc(Cc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75458163
27744,CNc1ccc(COc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53692675
27745,COC1CCN(CCN2CCN(c3ccccc3-c3cccc4c3ccc3ccc(O)nc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.765216
27746,COCCCN1CCN(Cc2cccc(NC(=O)c3cc(Br)c4ccccc4c3OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.32592714
27747,COCCOc1ccc(OC)c(CC(=O)Cc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16270182
27748,COc1cc2c(cc1CO)CCN1Cc3c(cccc3NC(C)c3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.37400594
27749,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(CO)c5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61619425
27750,COc1cc2c(cc1O)CCN1Cc3c(cccc3[N+]c3ccccc3CO)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7582903
27751,COc1cc2c(cc1OC)C1Cc3cccc(OS(=O)(=O)C(F)(F)F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7706716
27752,COc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(C)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6252941
27753,COc1ccc(C)cc1-c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.52066374
27754,COc1ccc(OCCCN2CCC(c3ccccc3OC3CC3)CC2)cc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.7996171
27755,COc1ccc(OCCCN2CCN(Cc3ccc(F)c(F)c3)CC2)cc1-c1cc(C)co1,[*]CCOc1ccc(O[*])c([*])c1,0.46224615
27756,COc1ccc(OCCCN=S(C)(=O)O)cc1N1CCCC(CCc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.25809467
27757,COc1ccc(OCCN2CCC(c3cc(C)on3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.6477268
27758,COc1ccc(OCCN=S(C)(=O)O)cc1NC1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1078593
27759,COc1ccc(OCCNC(C)C)cc1S(=O)(=O)NC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.015531777
27760,COc1ccc(OCCS(C)(=O)=O)cc1NCCc1cccc2cc(F)ccc12,[*]CCOc1ccc(O[*])c([*])c1,0.104205444
27761,COc1cccc2c1CN1CCc3cc(-c4ccc(OCCF)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7009246
27762,COc1ccccc1N1CCN(CCN2CCC(Cc3ccc4c(c3)CCNC4=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81123394
27763,COc1ccccc1N1CCN(CCN2CCC(N(C)c3ccccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8798738
27764,COc1ccccc1N1CCN(CCN2CCC(n3ccc4cc(F)ccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.90451497
27765,CSOc1ccc(OCCCN2CCN(Cc3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.658744
27766,CSc1ccc(CCNCCOc2ccc(OS(C)(=O)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.1598937
27767,Cc1cc(OCCN2CCC(NS(=O)(=O)c3cccc(C(C)C)c3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.6834467
27768,Cc1cc(OCCNC(=O)c2ccc(Cl)c(Cl)c2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.0124827735
27769,Cc1cc(OCCNS(C)(=O)=O)ccc1ONCCc1cccs1,[*]CCOc1ccc(O[*])c([*])c1,0.06475774
27770,Clc1cccc(CN2CCN(CCCC3CC[SH]3c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7117106
27771,FC(F)(F)c1cccc(CN2CCN(CCCc3csc(-c4ccccc4)n3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6407888
27772,Fc1cccc(CN2CCN(CCCN3CCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7378589
27773,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)Nc1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.32493487
27774,O=C(Nc1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1)c1cccs1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.25460583
27775,O=C(Nc1ccccc1)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3636005
27776,O=S(c1ccccc1)c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5918884
27777,Oc1cc2c(cc1C1CCCN1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6639568
27778,Oc1cc2c(cc1COCc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.795781
27779,Oc1cccc(Cc2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7169859
27780,[O-]c1ccccc1N1CCN(CCN2CCC(Nc3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79551494
27781,[O-]c1ccccc1N1CCN(CCN2CCC(n3c(O)nc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7522684
27782,CC(=O)Nc1ccccc1N1CCN(CCN2CCC(c3ncco3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.42639598
27783,CCC(=O)Oc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5377049
27784,CCCOc1ccc(ON2CCCN(c3ccc(CCC)cc3)CC2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23124133
27785,CCCOc1ccc(ON2CCN(Cc3ccc(Cl)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5155384
27786,CCCOc1ccc(OOC)c(NCc2ccccc2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09732601
27787,CCCOc1ccc(OS(C)(=O)=O)c(Cc2cccc(NC(C)=O)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.024492405
27788,CCCOc1ccc(OS(N)(=O)=O)c(CNCCCC2CC(=O)c3cc(C)c2c2ccc(F)cc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14494318
27789,CCN(C)Cc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8126675
27790,CCN1CCC(=O)N(CCOc2ccc(ONS(C)(=O)=O)c(C)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.21048903
27791,CN1CCN(Oc2ccc(OCCc3ccc(F)cc3)cc2Cc2ccccc2)C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.32989103
27792,COC1CCN(CCN2CCN(c3ccccc3-c3ccc4cc(O)ccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7812125
27793,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4oc(O)cc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6837387
27794,COCCCN1CCN(Cc2cccc(C3CC(=O)C(c4ccccc4)=N3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5337165
27795,COCCCN1CCN(Cc2cccc(CNC(=O)N=CCc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5729776
27796,COCCOc1ccc(OC)c(CN2CCN(c3cccc(F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.74505424
27797,COCc1cc2c(cc1OC)C1Cc3cccc(C#Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7894659
27798,COOc1ccc(OCCC(C)C)cc1CCN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.90419394
27799,COOc1ccc(OCCN2CCC(Cc3ccc(OC4CCNC4)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5076418
27800,COc1cc2c(cc1-c1ccc3cc[nH]c3c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6891444
27801,COc1cc2c(cc1NC(=O)OCc1cccc(C(C)=O)c1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32495952
27802,COc1cc2c(cc1O)CCN1Cc3c(CCNc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56929386
27803,COc1cc2c(cc1O)CCN1Cc3c(cccc3CN3CCCC3OCc3ccc(C)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46413776
27804,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCC3CCCC3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6884711
27805,COc1cc2c(cc1OC)C1Cc3cccc(-c4cc(O)c5c(OC)cccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6798408
27806,COc1ccc(OCCC(=O)COc2ccccc2)cc1CN1CCC(S(=O)(=O)c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31904954
27807,COc1ccc(OCCC(C)N=O)cc1-c1ccccc1OCC(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.10333591
27808,COc1ccc(OCCC(N)=O)cc1CN1CCC(c2ccccc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.42114595
27809,COc1ccc(OCCCN=O)cc1N1CCC(CC(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2857318
27810,COc1ccc(OCCCS(=O)(=O)c2cc(F)ccc2OC)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.101581976
27811,COc1ccc(OCCF)cc1CNC(=O)c1ccc(C(C)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.022113226
27812,COc1ccc(OCCF)cc1CNS(=O)(=O)c1ccccc1C(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.09067847
27813,COc1ccc(OCCN2CCC(c3ccccc3OC3CCCC3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.763202
27814,COc1ccc(OCCNC(=O)Cc2ccc3c(c2)CCC(=O)N3)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.053676415
27815,COc1ccc(OCCSC)cc1N1CCCC(c2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.40056437
27816,COc1cccc(CCCCN2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5344034
27817,COc1cccc(CN2CCN(CCCCc3cccc(C=Cc4ccccc4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7242769
27818,COc1cccc(CN2CCN(CCCc3cccc4cc(S)oc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6317408
27819,COc1cccc(CNC(=O)c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41899872
27820,COc1cccc2c1CN1CCc3cc(Cc4ccccc4)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7421774
27821,COc1ccccc1N1CCN(CCN2CCC(n3cc(Br)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.892072
27822,COc1ccccc1N1CCN(CCOc2ccc(ON)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.83696586
27823,Cc1cc(OCCN2CCC(C(=O)c3ccccc3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.52806133
27824,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCC(Cc2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20291902
27825,Cc1ccc(COc2cc3c(cc2O)CCN2Cc4c(C)cccc4CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48408526
27826,Cc1ccc(OCC(O)CCOc2ccc(ONS(C)(=O)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.030188516
27827,Cc1ccccc1N1CCN(CCN2CCC(Nc3ccc(OC(F)(F)F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6243852
27828,N#Cc1ccc2ccc(-c3cc4c(cc3O)C3Cc5cccc(O)c5CN3CC4)cc2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62936616
27829,O=C(Nc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2)C1CCCCC1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34829506
27830,O=C(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1cc2ccccc2nc1O,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4416957
27831,[O-]C1CCN(CCN2CCN(c3ccccc3-c3nc(O)ccc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64554983
27832,CC1C(=O)N(c2cccc(CN3CCN(CCCCl)CC3)c2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63919586
27833,CCCCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60338885
27834,CCCOc1ccc(OC(C)C(=O)Nc2ccc(F)cc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.024386209
27835,CCCOc1ccc(OCN2CCC(c3ccccc3OC)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5949698
27836,CCCOc1ccc(ON2CCC(Nc3ccccc3OCC)CC2)c(OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22202037
27837,CCCOc1ccc(ON2CCN(c3ccccc3OC)CC2)c(CNC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3363525
27838,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(Cc3ccc4c(c3)NC(=O)CC4=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23795778
27839,CCCOc1ccc(OO)c(N2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30047077
27840,CCCOc1ccc(OOC)c(CNCc2ccco2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12815115
27841,CCCOc1ccc(OSC)c(C(=O)COc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20868771
27842,CCCOc1ccc(OSC)c(N2CCC(c3cccc(CC(F)(F)F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28830928
27843,COC1CCN(CCN2CCN(c3ccccc3-n3cccc3-c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7312151
27844,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3cc4ccccn4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6261129
27845,COCCOc1ccc(OF)c(CN2CCN(c3ccccc3C(C)C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6868195
27846,CON1CCN(CCNC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)c(O)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.22961137
27847,CON1CCN(CCNC(=O)c2ccc(OC(C)=O)c(-c3ccccc3[N+](=O)[O-])c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29406038
27848,COOc1ccc(OCCNCc2ccc(S(C)(=O)=O)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.1329863
27849,COc1cc2c(cc1C(=O)Nc1ccccc1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.31402096
27850,COc1cc2c(cc1C)CCN1Cc3c(N)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7374887
27851,COc1cc2c(cc1CO)C1Cc3cccc(C(=O)NCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40381375
27852,COc1cc2c(cc1O)C1Cc3cccc(OC(C)Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7289353
27853,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccco4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70467037
27854,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc(OC(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6882625
27855,COc1cc2c(cc1OC)C1Cc3cccc(O[N+](=O)c4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64219826
27856,COc1cc2c(cc1OCc1ccncc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64373904
27857,COc1cc2c(cc1OS(C)(=O)=O)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74824864
27858,COc1ccc(Cl)cc1C1CCN(CCN2CCN(c3ccccc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65339994
27859,COc1ccc(OCCCCCc2ccc3c(c2)NC(=O)CC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2653675
27860,COc1ccc(OCCCCNC(=O)c2ccc(C(C)C)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.02870528
27861,COc1ccc(OCCCN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6287858
27862,COc1ccc(OCCF)cc1CN1CCN(C(=O)C=Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19333072
27863,COc1ccc(OCCN2CCC(Cc3ccc(F)cc3)CC2)cc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.6859722
27864,COc1ccc(OCCN2CCCC(C(=O)c3ccc(F)cc3)C2)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.32550955
27865,COc1ccc(OCCNC(=O)c2cccs2)cc1CN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.14548214
27866,COc1ccc2c(c1)OCC(=O)N2c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.60736585
27867,COc1ccccc1-c1cc(C(=O)NCCN2CCN(NC(C)=O)CC2)ccc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27491418
27868,COc1ccccc1CCCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.676236
27869,COc1ccnc(N2CCN(COc3ccc(OCCF)cc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.42320433
27870,CSc1ccc(C(=O)NCCOc2ccc(ONS(C)(=O)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.0144664
27871,CSc1cccc2c1CC(C)CN(COc1ccc(OCCF)cc1C)C2,[*]CCOc1ccc(O[*])c([*])c1,0.40222672
27872,CSc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7475716
27873,Cc1cc(OCCN2CCCC(Oc3ccccc3)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.42307442
27874,Cc1cc(OCCN=S(C)(=O)O)ccc1ONCc1ccc(OCc2ccccc2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.044972822
27875,Cc1cc(OCCNCCCc2ccc(F)cc2)ccc1OC(=O)S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.15515806
27876,Cc1ccccc1N1CCN(CCN2CCC(c3ncc(F)cc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.58512574
27877,N#Cc1cccc(-c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5950277
27878,O=C(NCc1cccc(CN2CCN(CCCCl)CC2)c1)c1cc2ccccc2oc1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5279321
27879,O=C(NCc1cccc(CN2CCN(CCCOc3ccccc3)CC2)c1)c1cc2ccccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5557109
27880,O=C(Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2)C1CCCCC1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.342458
27881,O=S1(=O)Cc2ccccc2CN1CCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6702036
27882,O=[N+]([O-])c1ccc(C2CCN(CCN3CCN(c4ccccc4O)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6473611
27883,OC(C=Cc1ccccc1)=Nc1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.77380824
27884,OC1CCN(CCN2CCN(c3ccccc3-c3ccc(Cl)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7716445
27885,Oc1cc2c(cc1Cc1cccnc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6973173
27886,C#Cc1cccc(C(=O)Nc2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.50085634
27887,CC=S(=O)(O)Oc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4830317
27888,CCCC(=O)Nc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3073945
27889,CCCOc1ccc(ON2CCC(Cc3ccccc3)CC2)c(CS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24274355
27890,CCCOc1ccc(ON2CCN(c3ccccc3OCC)CC2)c(CNC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34776098
27891,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCC(Oc3ccc(CC4CCCC4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2773804
27892,CCCOc1ccc(OS(N)=O)c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23392034
27893,CCCOc1ccc(OSC)c(N2CCCC(COc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.44378707
27894,CCCOc1ccc(Oc2ccccc2)c(C2CCc3ccc(OCC4CCC4)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.44096068
27895,CCN(C(C)=O)c1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59677976
27896,CCOc1ccccc1C1CCN(CCOc2ccc(OC)c(CS(N)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6742658
27897,CC[SH](=O)(c1ccccc1)c1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69877344
27898,COC(CCc1ccc2c(c1)NC(=O)CC2)Oc1ccc(OCCNS(C)(=O)=O)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.18582888
27899,COC1CCN(CCN2CCN(c3ccccc3-c3c(O)ccc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7435346
27900,COC1CCN(CCN2CCN(c3ccccc3-n3cc(-c4ccccc4)c(O)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.642539
27901,COC1CCN(CCN2CCN(c3ccccc3N=CC3COc4ccccc4N3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69516516
27902,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4c(O)cccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7064499
27903,COCCOc1ccc(OF)c(CN2CCC(Nc3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38897923
27904,CON1CCN(CCNC(=O)c2ccc(C(=O)O)c(-c3ccc(C)cc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.14667054
27905,CON1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(-c3ccc(C)c(C)c3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.15797609
27906,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(C)c(Cl)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57627916
27907,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)OCc3ccc4[nH]ccc4c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5272896
27908,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccccc1CO,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32931083
27909,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1OCc1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3185515
27910,COc1ccc(C2CCN(CCOc3ccc(OOS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.635414
27911,COc1ccc(OCCCN2CCC(c3cccc(C(F)(F)F)c3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.7524999
27912,COc1ccc(OCCF)cc1CN1CCC(c2ccccc2)C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.31189874
27913,COc1ccc(OCCF)cc1CS(=O)(=O)NCc1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.049720645
27914,COc1ccc(OCCN=S(C)(=O)O)cc1NCC1CCS(=O)(=O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.11095456
27915,COc1ccc(OCCNC(C)=O)cc1N1CCCC(Cc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.17734069
27916,COc1ccc(OCCNC(C)=O)cc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.01867378
27917,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(c2ccc(CC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.34431732
27918,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.37514666
27919,COc1ccc(OCCO)cc1CF,[*]CCOc1ccc(O[*])c([*])c1,0.08676566
27920,COc1ccc(OCCS(C)(=O)=O)cc1CCCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.1121242
27921,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(C(=O)c2ccc([SH](C)(=O)O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.14158659
27922,COc1ccc(OCCc2cccn2Cc2ccc(F)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.100254335
27923,COc1cccc(CCC2CCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6363992
27924,COc1cccc(Cc2cccc3c2CN2CCc4cc(O)c(OCc5ccccc5)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58890504
27925,COc1cccc(F)c1-c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7589804
27926,COc1ccccc1-c1cc(C(=O)NCCN2CCN(Cl)CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35527387
27927,COc1ccccc1N1CCN(CCN2CCC(c3cccc(-c4ccc(Cl)cc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8272313
27928,COc1ccccc1N1CCN(c2cc(OCCC(C)=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2256446
27929,Cc1cc(OCCNCC2CCc3ccccc3C2=O)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.22350612
27930,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCN(CCc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5126034
27931,Cc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1cccs1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26639217
27932,Cc1ccc(OCC(C)Oc2ccc(OCCNS(C)(=O)=O)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.05798571
27933,Cc1ccccc1N1CCN(CCN2CCC(n3cc(-c4cccnc4)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67083555
27934,N#Cc1ccc([N+](=O)c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5482265
27935,O=C(Nc1c(Cl)cc(Cl)cc1Cl)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46808293
27936,O=C(O)c1cc2c(cc1Cl)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53476256
27937,Oc1cc2c(cc1C=NOCc1ccccc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6459166
27938,Oc1nccn1C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84985864
27939,CC(=O)NCCOc1ccc(ONCCc2ccccc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03237797
27940,CC1Cc2ccccc2N1CCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60361904
27941,CCCOc1ccc(OC)c(CS(=O)(=O)c2ccc(C(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06469054
27942,CCCOc1ccc(ONS(C)(=O)=O)c(NC2CCC(CC)c3ccccc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24880989
27943,CCCOc1ccc(OOC)c(NCC2CCc3ccc(S(C)(=O)=O)cc3CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25569323
27944,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3ccc4c(c3)CC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36386958
27945,CCCOc1ccc(OS(N)(=O)=O)c(-c2ccc(CCC)o2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.074465714
27946,CCCOc1ccc(OS(N)(=O)=O)c(NCCc2ccc3c(c2)CCC(=O)N3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.117068976
27947,CCOCCCN1CCN(Cc2cccc(Cc3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59733045
27948,CCOc1ccccc1N1CCN(c2cc(OCCCCF)ccc2OOC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.36816016
27949,CCc1ccc(Oc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7539848
27950,COC(=O)c1cc(OCCN2CCCC2CCc2ccccc2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.28464615
27951,COC1CCN(CCN2CCN(c3ccccc3-n3cc(C(F)(F)F)nc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6915186
27952,COC1CCN(CCN2CCN(c3ccccc3C(=O)Nc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5441972
27953,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccnc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6114879
27954,COc1cc2c(cc1OC)C1Cc3cccc(C4CC4C(C)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47538817
27955,COc1cc2c(cc1OC)C1Cc3cccc(OCc4cccc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74224776
27956,COc1cc2ccccc2cc1-c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63514507
27957,COc1ccc(OCCF)cc1CN1CCC(C(=O)c2ccc(SC)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.45932898
27958,COc1ccc(OCCN2CCC(F)(S(=O)(=O)c3ccc(F)cc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.5596562
27959,COc1ccc(OCCN2CCC(c3cccc(C(F)(F)F)c3)CC2)cc1S(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.51995856
27960,COc1ccc(OCCN2CCN(Cc3cccc4c3NC(=O)CC4)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.519397
27961,COc1ccc(OCCS(C)(=O)=O)cc1C1CCC(C)CN1,[*]CCOc1ccc(O[*])c([*])c1,0.15999684
27962,COc1ccc(OCCS(C)(=O)=O)cc1CCOc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.23851828
27963,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Oc2ccc(CCCF)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24327974
27964,COc1ccc(OCCSC)cc1NCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.1170459
27965,COc1ccc(OCC[SH](C)(=O)O)cc1CCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.08688775
27966,COc1cccc(CN2CCN(CCCN3C(=O)c4ccccc4CC3(C)C)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5427083
27967,COc1cccc(CN2CCN(CCCc3c[nH]c4ccccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6852714
27968,COc1cccc(OC)c1Oc1cccc2c1CN1CCc3cc(C)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6047078
27969,COc1ccccc1C1CCN(CCOc2ccc(OO)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.63944453
27970,COc1ccccc1N1CCN(CCN2CCC(c3nc4ccccc4n3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76705515
27971,COc1ccccc1N1CCN(CCOc2ccc(ON=S(C)(=O)O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7241663
27972,CSOc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCCS4)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.53847766
27973,Cc1cc(OCCN2CCC(Cc3ccccc3)CC2)ccc1ON=S(C)O,[*]CCOc1ccc(O[*])c([*])c1,0.5359234
27974,Cc1cc(OCCN2CCCC(OCc3ccccc3)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.39765728
27975,Cc1cc(OCCN=S(C)(C)=O)ccc1ONCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.06342204
27976,Cc1cc(OCCNC(=O)CCc2ccc3ccccc3c2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.0262509
27977,Cc1ccc(OC2CCCN(CCOc3ccc(ON=S(C)(=O)O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.4106636
27978,Cc1ccccc1N1CCN(CCN2CCC(n3c(=O)n(-c4ccccc4)c(=O)c4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5490371
27979,ClCCCN1CCN(Cc2cccc(CN3CCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7198035
27980,Fc1ccc(-c2ccnc(C3CCN(CCN4CCN(c5ccccc5OC(F)(F)F)CC4)CC3)c2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7973606
27981,Fc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccccc4)ccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7606429
27982,N#Cc1ccc(COc2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6567891
27983,N#Cc1ccc(COc2cc3c(cc2O)CCN2Cc4c(C#N)cccc4CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72487
27984,O=C(NCc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1ccccc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7289686
27985,O=C(c1ccc(F)cc1)C1CCN(CCN2CCN(c3ccccc3[O-])CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7696345
27986,Oc1cc2c(cc1O)C1Cc3cccc(C#Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7948672
27987,Oc1cccc2c1CN1CCc3cc(NC4CCC4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5563199
27988,Oc1cccc2c1CN1CCc3cc(OCc4ccsc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78630865
27989,Oc1ccccc1N1CCN(CCN2CCC(c3csc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6897533
27990,CC(=O)CCOc1ccc(ON2CCOC(CCc3ccccc3)C2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12564893
27991,CCCOc1ccc(OCF)c(N2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32533407
27992,CCCOc1ccc(OCN2CCN(C)CC2)c(-c2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.45635372
27993,CCCOc1ccc(OCNC(=O)c2ccc(F)cc2)c(CNCC2CC=CSC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07585252
27994,CCCOc1ccc(ON2CCNC(CCc3ccccc3)C2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4827192
27995,CCCOc1ccc(ON=S(C)(=O)O)c(NCCC2C(=O)COc3ccccc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1518081
27996,CCCOc1ccc(ONS(C)(=O)=O)c(N2C(=O)CCc3cc(CCC4CCC4)ccc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19541837
27997,CCCOc1ccc(ONS(C)(=O)=O)c(NC(=O)COc2ccc3c(c2)CCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07088225
27998,CCCOc1ccc(OS(C)(=O)=O)c(OC2CCN(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.54552275
27999,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(Cc3ccc(OC4CCCCC4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2615482
28000,CCOC(=O)CCCOc1ccc(OC)c(CSCc2ccc(S(C)(=O)=O)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.023237377
28001,CCOc1cc2c(cc1C)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68479294
28002,CCc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77732635
28003,CN(CCCN1CCN(Cc2cccc(Cl)c2)CC1)S(=O)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62620753
28004,COC(=O)OCc1ccc(Cc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36698535
28005,COC1CCN(CCN2CCN(c3ccccc3-n3cccc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7017189
28006,COC1CCN(CCN2CCN(c3ccccc3Cc3ccc4c(c3)OCO4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6399423
28007,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccc(CO)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.46373755
28008,COCCCN1CCN(Cc2cccc(CNC(=O)c3cccnc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.37764668
28009,COCCOc1ccc(OC)c(NC(=O)c2ccc(CCCF)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03554472
28010,COCc1cccc2c1CN1CCc3cc(OC)c(OCc4ccc(CO)cc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6436336
28011,COc1cc(C(=O)NCCN2CCN(c3ccccc3)CC2)ccc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.64356804
28012,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc(OC5CCCCC5)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6721025
28013,COc1cc2c(cc1O)CCN1Cc3c(cccc3OS(C)(=O)=O)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74041367
28014,COc1ccc(Br)cc1OCC1CCN(CCN2CCN(c3ccccc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6473409
28015,COc1ccc(OCCCN2CCN(c3cccc(C(C)C)c3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.81290615
28016,COc1ccc(OCCN2CCC(Oc3ccc(CC4CCCCC4)cc3)CC2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4647458
28017,COc1ccc(OCCN2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.7237322
28018,COc1ccc(OCCN2CCC(c3cccc(C(C)=O)c3)CC2)cc1O,[*]CCOc1ccc(O[*])c([*])c1,0.6359513
28019,COc1ccc(OCCN2CCCC(C(=O)c3ccc(F)cc3)C2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.284992
28020,COc1ccc(OCCN2CCN(c3ccc(SC)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6736121
28021,COc1ccc(OCCNCCC2CCC(=O)Nc3cc(C(C)=O)ccc32)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07095633
28022,COc1ccc(OCCc2ccc(OCC(F)(F)F)cc2)cc1CN1CCCC(OS(C)(=O)=O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.3408695
28023,COc1ccc2cc(Oc3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)ccc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85914946
28024,COc1cccc(C2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7485408
28025,COc1cccc2c1CN1CCc3cc(NC(=O)Nc4cc(Cl)cc(Cl)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.33285937
28026,COc1ccccc1CCCN1CCN(Cc2cccc(C(C)=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4783551
28027,COc1ccccc1CNCOc1ccc(OCCF)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.12260151
28028,Cc1cc(OCCC(C)Cc2ccc(F)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06446462
28029,Cc1cc(OCCC=Cc2ccccc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.06436193
28030,Cc1cc(OCCF)ccc1OCN1CCC(CC(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.39157572
28031,Cc1cc(OCCF)ccc1OCN1CCCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.51607555
28032,Cc1cc(OCCN2CCCC2Cc2ccc3c(c2)NC(=O)CC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.36398965
28033,Cc1cc(OCCNCCc2ccc3c(c2)CC(=O)C3)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.18385364
28034,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)C1CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62137985
28035,O=C1c2ccccc2NCC1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6587248
28036,Oc1cc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)[nH]n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7610881
28037,Oc1cc2c(cc1COc1cccc3ccccc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6767311
28038,Oc1ccc(C2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8044793
28039,Oc1cccc(-c2cccc(CN3CCN(CCCF)CC3)c2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6832321
28040,Oc1cccc2c1CN1CCc3cc(COc4cccc5ccccc45)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60759073
28041,Oc1cccc2c1CN1CCc3cc(N4CCCCC4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5189634
28042,Oc1cccc2c1CN1CCc3cc(OC4CCCC4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.701854
28043,CC(=O)c1ccc(CN2CCN(COc3ccc(OCCF)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.2718048
28044,CC(C)Oc1ccccc1N1CCN(CCN2CCC(C(=O)NCc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8263486
28045,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3cccc([N+](=O)[O-])c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7265334
28046,CCCOc1ccc(OC(N)=O)c(C(C)COc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.030215433
28047,CCCOc1ccc(OC)c(N2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32187948
28048,CCCOc1ccc(OCl)c(NCC2CCc3cc(OC)c(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.42701116
28049,CCCOc1ccc(ON2CCC(Oc3ccccc3)CC2)c([N+](=O)[O-])c1,[*]CCOc1ccc(O[*])c([*])c1,0.2749583
28050,CCCOc1ccc(OS(C)(=O)=O)c(CC2CCC(Oc3ccc(CC4CCCC4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16399878
28051,CCCOc1ccc(OS(C)(=O)=O)c(CC2CCc3ccc(CC(C)=O)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31566435
28052,CCOC1CCN(CCN2CCN(c3ccccc3-c3ccc(O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7452293
28053,CCOc1ccccc1-c1cc(OCCCN)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.14321034
28054,COC(=O)C1c2ccccc2N(c2cccc(CN3CCN(CCCCl)CC3)c2)S1(=O)=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.44796994
28055,COC(=O)NCc1ccc(-c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47290033
28056,COC1CCN(CCN2CCN(c3ccccc3CNCc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77564985
28057,COCCCN1CCN(Cc2cccc(C3OCCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58599705
28058,COCCCN1CCN(Cc2cccc(Cc3ccc4ccc(=O)oc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56188595
28059,COCCOc1ccc(OC)c(C(F)COc2ccc3c(c2)CCC(=O)N3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18386722
28060,COc1cc2c(cc1C=NCc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69418156
28061,COc1cc2c(cc1CN1CCCC1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6465321
28062,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(C)o4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68035245
28063,COc1cc2c(cc1O)C1Cc3cccc(C(O)c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7323832
28064,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc5cc(CO)ccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5433991
28065,COc1ccc(OCCCS(=O)(=O)c2ccc(F)c(F)c2)cc1S(=O)(=O)Cc1ccc(SC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.1129326
28066,COc1ccc(OCCF)cc1N1CCC(S(=O)(=O)N2c3ccccc3CC2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3440147
28067,COc1ccc(OCCN2CCC(C(=O)c3ccc4c(c3)NC(=O)CC4)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5461535
28068,COc1ccc(OCCN2CCCC(c3ccccc3)C2)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5489366
28069,COc1ccc(OCCN2CCN(c3ccccc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.9189603
28070,COc1ccc(OCCN=S(C)(=O)O)cc1C=CC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.30109835
28071,COc1ccc(OCCN=S(C)(=O)O)cc1CC1CC(=O)Nc2cc(CC(C)=O)ccc21,[*]CCOc1ccc(O[*])c([*])c1,0.062297076
28072,COc1ccc(OCCNC(C)=O)cc1N1CCC(C(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24249068
28073,COc1ccc(OCCNCc2cccs2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.13595258
28074,COc1ccc(OCCS(=O)(=O)Cc2ccc(C(C)C)cc2)cc1N1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.32072052
28075,COc1ccc(OCCS(N)(=O)=O)cc1CCCCC1Cc2ccc(OC3CCCC3)c(c2)CCC(=O)N1,[*]CCOc1ccc(O[*])c([*])c1,0.31415692
28076,COc1ccc2cc(C(=O)NC3CCN(CCN4CCN(c5ccccc5OC)CC4)CC3)ccc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85229605
28077,COc1ccc2cc(C(=O)Nc3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)c(OC)cc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4258937
28078,COc1cccc(CC2CCCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4257175
28079,COc1cccc(CN2CCN(CCCC(=O)N(C)C3CCCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5757171
28080,COc1cccc(CN2CCN(CCCC3N=C(c4ccccc4)NC3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4544167
28081,COc1cccc(CN2CCN(CCCCN3CCc4ccccc4C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.81977725
28082,COc1cccc(CN2CCN(CCCCNc3ccco3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5612776
28083,COc1cccc2c1CCN(c1cccc(CN3CCN(CCCCl)CC3)c1)C2=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.529661
28084,CSC1CCN(CCN2CCN(c3ccccc3-n3c(O)cc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6722773
28085,CSOc1ccc(OCCN2CCCC(S(=O)(=O)c3ccccc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.39601555
28086,Cc1cc(OCCC(C)Cc2ccccc2)ccc1ON1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.18578228
28087,Cc1ccccc1N1CCN(CCN2CCC(c3ccc(C(C)(C)C)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72123784
28088,Fc1ccccc1CCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68734956
28089,NCCCc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7155759
28090,O=C(Nc1cccc(CCCN2CCN(Cc3cccc(Cl)c3)CC2)c1)C1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.32445005
28091,O=C(Oc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)C1CC1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4698818
28092,O=c1ccccn1Cc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6243328
28093,Oc1cc2c(cc1-c1ccc(F)cc1F)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7750807
28094,C=Cc1cc2c(cc1C)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64566034
28095,CC(=O)N1CCN(COc2ccc(OCCF)cc2C)c2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.10305201
28096,CC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccc(F)cc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7330059
28097,CCCOc1ccc(OC(=O)COc2ccccc2)c(N2CCC(Nc3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12958007
28098,CCCOc1ccc(OCl)c(-c2cccc(NC(C)=O)c2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.021002376
28099,CCCOc1ccc(ON2CCC(c3ncccc3CCC)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3637909
28100,CCCOc1ccc(ON2CCN(C3CCCCC3)C2=O)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2293121
28101,CCCOc1ccc(ONS(C)(=O)=O)c(C(=O)COc2ccc(CCF)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05991867
28102,CCCOc1ccc(ONS(C)(=O)=O)c(NCCCc2cccc3ccc(OC)cc23)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10881733
28103,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(CF)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26425985
28104,CCCOc1ccc(OS(C)(=O)=O)c(NCCc2ccccc2OC2CCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19550988
28105,CCCOc1ccc(OS(N)(=O)=O)c(NC(=O)COc2ccc(C(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0061820196
28106,CCCOc1ccc(OSC)c(N2CCC(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40854087
28107,CCOc1cc(OCCCN2CCN(c3ccc(Cl)cc3)CC2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.9041295
28108,CCc1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7413376
28109,CCc1ccc(OC2CCCN(CCOc3ccc(OSC)c(C)c3)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.37709296
28110,CN(C)S(=O)(=O)Oc1ccc(OCCF)cc1CN1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.44718933
28111,CNC(=O)CCOc1ccc(OC)c(N2CCC(Cc3ccc4ccccc4c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14255063
28112,COC1CCN(CCN2CCN(c3ccccc3-c3cc(-c4ccc(Br)cc4)cc(O)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75503474
28113,CON1CCN(CCNC(=O)c2ccc(-c3ccccc3)c(C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.28937396
28114,COc1cc2c(cc1O)CCN1Cc3c(cccc3Oc3cccc([N+](=O)[O-])c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5466456
28115,COc1cc2c(cc1OCc1ccc(CO)cc1)CCN1Cc3c(cccc3C(C)=O)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47656983
28116,COc1ccc(-c2cc3c(cc2C#N)CCN2Cc4c(cccc4OC)CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70251894
28117,COc1ccc(OC)c(-c2cc(C(=O)NCCN3CCN(OC)CC3)ccc2OC)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.24209854
28118,COc1ccc(OCCC(=O)Cc2ccc(F)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.026930273
28119,COc1ccc(OCCC(C)=O)cc1CNc1ccccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.015841087
28120,COc1ccc(OCCC=Cc2ccccc2)cc1N(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.14352679
28121,COc1ccc(OCCCc2ccc(S(C)(=O)=O)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.060294013
28122,COc1ccc(OCCF)cc1CNC(=O)c1cccc(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03156186
28123,COc1ccc(OCCF)cc1NC1CCN(S(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18898617
28124,COc1ccc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6394827
28125,COc1ccc(OCCN2CCN(C(C)=O)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.19364762
28126,COc1ccc(OCCN=S(C)(=O)O)cc1CN1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.43432721
28127,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.14352624
28128,COc1ccc(OCCNC(=O)Cc2cccs2)cc1SCC1CCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.036655735
28129,COc1ccc(OCCOS(C)(=O)=O)cc1OC1CCC(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.14805138
28130,COc1ccc(OCCS(C)(=O)=O)cc1CCC1CCc2ccc(F)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.34884375
28131,COc1ccc([N+](=O)c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66095424
28132,COc1cccc(Oc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7695962
28133,COc1cccc2c1CN1CCc3cc(-c4cccc(Cl)c4Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6788469
28134,COc1ccccc1-c1cccc(CN2CCN(CCCCNC(=O)c3ccc4ccccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6419843
28135,COc1ccccc1N1CCN(CCN2CCC(N(C)C(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8398407
28136,COc1ccccc1N1CCN(CCN2CCC(Oc3ccc4c(n3)NC(=O)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85181576
28137,Cc1cc(OCCCS(=O)(=O)c2cccc(F)c2)ccc1ON1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.24416092
28138,Cc1cc(OCCc2ccc(F)cc2)ccc1OC(=O)OCC1CCNC1,[*]CCOc1ccc(O[*])c([*])c1,0.09455674
28139,Cc1cc(OCCc2ccc(F)cc2)ccc1ON1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.41806015
28140,Cc1cc(OCCc2ccc(F)cc2)ccc1ON1CCN(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28266793
28141,Cc1cccc(CN2CCN(CCCCN3Cc4ccccc4C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.75403917
28142,O=C1COc2ccccc2N1Cc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38280913
28143,O=C1Cc2ccccc2S(=O)(=O)N1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7324924
28144,O=[N+](c1ccccc1)c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63029015
28145,OC(CCc1ccccc1)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7087255
28146,Oc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7349635
28147,C#Cc1cccc(-c2cc3c(cc2OC)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6847365
28148,CC(=O)Nc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.33842954
28149,CCCCN1CCN(Cc2cccc(NC(=O)c3cccc(OC)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.2704332
28150,CCCOc1ccc(OCN2CCN(c3ccc(F)cc3)CC2)c(NC(=O)OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21739438
28151,CCCOc1ccc(OCNC(=O)c2ccc(F)cc2)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6568314
28152,CCCOc1ccc(OCOc2ccc(F)cc2)c(C(=O)NC=COC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.027324598
28153,CCCOc1ccc(ONS(C)(=O)=O)c(C=Cc2ccc(OCC(F)(F)F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.081789844
28154,CCCOc1ccc(OS(C)(=O)=O)c(NCCc2ccc(CCC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.058400344
28155,CCCOc1ccc(OS(N)(=O)=O)c(N2CCCC(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2578727
28156,CCCOc1ccc(OSC)c(CCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06800178
28157,CCOc1cc2c(cc1C)CCN1Cc3c(cccc3-c3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56147957
28158,CCOc1ccccc1N1CCN(CCOc2ccc(OOS(C)(=N)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6381065
28159,CN(Cc1ccccc1)Cc1cc2c(cc1O)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6616635
28160,CNCCOc1ccc(OC)c(N2CCC(Oc3ccc4c(c3)NC(=O)CCC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.48671573
28161,CNS(=O)(=O)Oc1ccc(OCCN2CCC(COc3ccc4c(c3)NC(=O)CC4)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.51511097
28162,COC(=O)Oc1ccc(OCCCN2CCN(c3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.56814617
28163,COC(=O)c1ccc2ccc(Cc3cccc4c3CN3CCc5cc(OC)c(OC)cc5C3C4)cc2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40616727
28164,COC1CCN(CCN2CCN(c3ccccc3-c3ccc4nc(O)ccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77088434
28165,COC1CCN(CCN2CCN(c3ccccc3-n3c(=O)ccc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6193409
28166,CON=C(c1ccc2ccccc2c1)C1CCN(CCN2CCN(c3ccccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8157895
28167,COc1cc2c(cc1O)C1Cc3cccc(COCc4ccc(CO)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79337835
28168,COc1ccc(CC2CCN(Oc3ccc(OCCNS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.20471811
28169,COc1ccc(OCCN2CCC(NC(=O)c3ccc(F)c(Cl)c3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5247342
28170,COc1ccc(OCCN=S(C)(=O)O)cc1NCCC1C(=O)CCc2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.17116752
28171,COc1ccc(OCCNS(=O)(=O)c2cc(C(C)C)ccc2F)cc1N1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.32667935
28172,COc1ccc(OCCS(=O)(=O)c2cc(F)ccc2C(C)=O)cc1C(=O)C1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.047016688
28173,COc1ccc(OCCS(C)(=O)=O)cc1CC1CCc2cc(F)ccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.3847143
28174,COc1ccc(OCCS(C)(=O)=O)cc1CC1CCc2ccc(C(C)=O)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.22430858
28175,COc1ccc(Oc2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)nc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8608042
28176,COc1cccc(CCCCN2CCN(Cc3cccc(CNC(=O)c4ccc5ccccc5c4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55110747
28177,COc1cccc(CN2CCN(CCCC3CCc4c(O)cccc4N3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64926654
28178,COc1cccc2c1CN1CCc3cc(-c4ccc(Cl)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7689965
28179,COc1cccc2c1CN1CCc3cc(C=Cc4ccccc4)c(Oc4cccnc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5818286
28180,COc1cccc2c1CN1CCc3cc(Cl)c(CO)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5354109
28181,COc1ccccc1N1CCN(CCCOc2ccc(OCNC(C)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.84982216
28182,COc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3cccs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87829953
28183,CS(=O)(=O)N1CCN(CCNC(=O)c2ccc(F)c(-c3ccccc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30987176
28184,Cc1cc(OCCCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)ccc1OF,[*]CCOc1ccc(O[*])c([*])c1,0.83691144
28185,Cc1cc(OCCN2CCC(CCc3ccc4c(c3)NC(=O)CC4)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.65321136
28186,Cc1cc(OCCN2CCC(Oc3ccc(CC4CCCCC4)cc3)CC2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.4766662
28187,Cc1cc(OCCN2CCN(Cc3ccccc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.42177996
28188,Cc1cc(OCCN2CCc3ccccc3C2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.49324796
28189,Cc1ccc(-c2cccc(CN3CCN(CCCCl)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57870376
28190,ClCCCN1CCN(Cc2cccc(Nc3ccco3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48244286
28191,N#CC1CCN(CCN2CCN(c3ccccc3-n3c(O)nc4cc(F)ccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78665584
28192,O=C(CCc1ccccc1)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5365042
28193,O=C(Oc1ccccc1)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47526512
28194,O=C1CN(CCCCN2CCN(Cc3cccc(Cl)c3)CC2)c2ccccc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72404087
28195,OCc1cccc2cc(COc3cccc4c3CN3CCc5cc(O)c(O)cc5C3C4)ccc12,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59896255
28196,Oc1cc2c(cc1Cl)C1Cc3cccc(NCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54803777
28197,CC(C)C1CCN(CCN2CCN(c3ccccc3COc3ccc4ccc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6975198
28198,CCCOc1ccc(OC)c(CN2CCN(C(C=O)c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.420103
28199,CCCOc1ccc(OF)c(CCN2CCC(C(=O)O)(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.43089488
28200,CCCOc1ccc(ON)c(-c2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12853643
28201,CCCOc1ccc(ON2CCCN(c3ccc(F)cc3)CC2)c(N)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3126486
28202,CCCOc1ccc(OOC)c(CN(C)c2ccccc2OCCF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19903372
28203,CCCOc1ccc(OS(=O)(=O)O)c(NCCc2cccc3c2CCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12198903
28204,CCCOc1ccc(OS(N)(=O)=O)c(N2CCCC(Cc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2001404
28205,CCCOc1ccc(OS(N)(=O)=O)c(NC2CCC(Oc3ccc(CCC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16074003
28206,CCCOc1ccc(Oc2ccc(C(C)=O)cn2)c(NC(=O)OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.021341978
28207,CCOc1ccccc1C1CCN(Oc2ccc(OCCOC)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.35886258
28208,CCc1ccc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78432775
28209,CCc1ccccc1N1CCN(CCOc2ccc(OC)c(S(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8383401
28210,COC1CCN(CCN2CCN(c3ccccc3COc3ccc4nc(F)ccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.60215235
28211,COCCOc1ccc(OC)c(CNC(=O)c2cccnc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.022754284
28212,COOc1ccc(OCCN2CC(C)Cc3cc(F)ccc32)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.39035344
28213,COOc1ccc(OCCc2ccc(OCC(F)(F)F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.10110632
28214,COc1cc(C(=O)NCCN2CCN(O)CC2)ccc1-c1ccccc1[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32937875
28215,COc1cc2c(cc1O)C1Cc3cccc(Oc4ccccc4CO)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7870257
28216,COc1cc2c(cc1O)CCN1Cc3c(cccc3NC(C)=O)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.33654502
28217,COc1ccc(NC(=O)c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4287896
28218,COc1ccc(OCCNC(C)=O)cc1N1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.16309227
28219,COc1ccc(OCCNCc2ccccc2)cc1N=S(C)(=O)S,[*]CCOc1ccc(O[*])c([*])c1,0.23274836
28220,COc1ccc(OCCS(C)(=O)=O)cc1N1C=CC(=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19597451
28221,COc1ccc(OCCSC=O)cc1N1CCN(c2ccccc2OCC(C)C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.30546007
28222,COc1ccc(OCCc2ccc(C(C)=O)cc2)cc1CN1CCC(C(=O)O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.42123237
28223,COc1cccc(CCCN2CCN(Cc3cccc(CC(=O)c4cc5ccccc5o4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6323253
28224,COc1cccc(CN2CCN(CCCNc3cccc4sc(=O)ccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.31087187
28225,COc1cccc(CN2CCN(CCCc3ccc4cc(C)c(=O)oc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5709427
28226,COc1cccc2c1CCCC2c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56132483
28227,COc1cccc2c1CN1CCc3cc(N=CCO)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78920025
28228,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccn4nc(CO)cc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7742308
28229,COc1ccccc1N1CCN(CCN2CCC(c3ccc(F)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8922366
28230,CSOc1ccc(OCCCCOc2ccc3c(c2)NC(=O)CC3)cc1C=O,[*]CCOc1ccc(O[*])c([*])c1,0.26753095
28231,CSOc1ccc(OCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.85982674
28232,CSOc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC(=O)C4)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.61394536
28233,CSOc1ccc(OCCNCC2CC(=O)Nc3ccccc32)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.124368556
28234,Cc1cc(OCCC(=O)CCc2ccc3c(c2)CC(=O)CC3)ccc1ON(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.0765535
28235,Cc1cc(OCCC(C)COc2ccc3c(c2)NC(=O)CC3)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.19738418
28236,Cc1cc(OCCN2CCCC(Oc3ccc(CC(F)(F)F)cc3)CC2)ccc1OS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5014621
28237,Cc1cc(OCCNCc2ccccc2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.3309113
28238,Cc1cc(OCCNS(C)(=O)=O)ccc1ONC(=O)COc1ccc2c(c1)CCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.05335261
28239,ClC1CCN(CCN2CCN(c3ccccc3-c3cccc(-c4ccccn4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7737612
28240,Fc1cnc(C2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7813129
28241,O=C1Nc2ccccc2CC1CCCN1CCN(Cc2cccc([N+](=O)[O-])c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.45558694
28242,O=C1c2ccccc2NC(C=NCCCCN2CCN(Cc3cccc(Cl)c3)CC2)N1c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56564844
28243,O=c1sc2ccccc2c(=O)n1-c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5437531
28244,OC1CCN(CCN2CCN(c3ccccc3-c3nccc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7715099
28245,Oc1cccc2c1CN1CCc3cc(C=Nc4c(Cl)cccc4Cl)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61226594
28246,Oc1cccn1CCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68603957
28247,C=Cc1ccccc1OC1CCC(NCCCOc2ccc(ON=S(C)(=O)O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.12150075
28248,CC1CCN(CCN2CCN(c3ccccc3-n3cc(-c4cccnc4)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68805265
28249,CC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.44448954
28250,CCCC1CCc2ccc(CCCc3cc(OCCF)ccc3ONS(C)(=O)=O)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.4619202
28251,CCCOc1ccc(ON2CCN(c3ccccc3OCCC)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3518651
28252,CCCOc1ccc(ON=S(C)(=O)O)c(NCCc2ccc(OC3CCCCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11079738
28253,CCCOc1ccc(ONC(C)c2cccc(OC)c2)c(N2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31911698
28254,CCCOc1ccc(ONC)c(N2CCCN(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23176126
28255,CCCOc1ccc(ONCc2ccccn2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11712915
28256,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(Cc3ccc(C(C)C)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29382485
28257,CCCOc1ccc(OS(C)(=O)=O)c(C(O)COc2ccc(CC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.041908495
28258,CCCOc1ccc(OS(N)(=O)=O)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06813389
28259,CCCOc1ccc(OSC)c(NC(=O)c2cccnc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.024412327
28260,CCOCc1cccc2c1CN1CCc3cc(OCc4ccccc4)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7457922
28261,CCSCOc1ccc(OCCN2CCC(Cc3ccccc3C)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.62803024
28262,CN1CCN(CCNC(=O)c2ccc(S(C)(=O)=O)c(-c3ccccc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31709057
28263,COCCOc1ccc(OC)c(N2CCC(Cc3ccc4ccccc4c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37797838
28264,COCCOc1ccc(OCN(C)CCc2ccccc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21325895
28265,COc1cc2c(cc1CCCO)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7190269
28266,COc1cc2c(cc1O)C1Cc3cccc(-c4cccc(CCO)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7311529
28267,COc1cc2c(cc1OC)C1Cc3cccc(OCC(F)(F)F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78931755
28268,COc1ccc(Cl)cc1S(=O)(=O)c1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68344647
28269,COc1ccc(OCCCN2CCC(Cc3ccccc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.64768696
28270,COc1ccc(OCCN2CCC(Cc3cccc(F)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5771095
28271,COc1ccc(OCCN2CCN(C)CC2)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.37352327
28272,COc1ccc(OCCNC(=O)Cc2ccc3c(c2)CC(=O)CC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.075617574
28273,COc1ccc(OCCNS(C)(=O)=O)cc1CF,[*]CCOc1ccc(O[*])c([*])c1,0.08413089
28274,COc1ccc(OCCSC)cc1CN1CCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.87810475
28275,COc1ccc(OCCSC)cc1N1CCCC(c2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.36500132
28276,COc1ccc2c(c1)CC(CCNCCOc1ccc(OSC)c(C)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.35315385
28277,COc1ccc2ccc(C(=O)NCc3cccc(CN4CCN(CCCCl)CC4)c3)cc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.41487467
28278,COc1cccc(CCc2cc(OCCSC)ccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14779145
28279,COc1cccc(CN2CCN(CCCCc3cc4c(s3)NC(=O)CC4)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67883724
28280,COc1cccc(CN2CCN(CCCCc3cccc(=O)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65892285
28281,COc1cccc2c1CN1CCc3cc(C(O)c4cccc(C)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6203731
28282,COc1cccc2c1CN1CCc3cc(C)c(-c4cccc(OC(F)(F)F)c4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60192496
28283,COc1cccc2c1CN1CCc3cc(C)c(OCc4cccc5ccccc45)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7154791
28284,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(OC)CC2)cc1CO[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3560949
28285,COc1ccccc1N1CCN(CCN2CCC(C(=O)O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.90486294
28286,COc1ccccc1N1CCN(CCOc2ccc(OC(C)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.73671603
28287,CSc1ccccc1N1CCN(CCN2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.711317
28288,Cc1cc(OCCN2CCC(COCc3ccc(F)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6085386
28289,Cc1cc(OCCN2CCC(Cc3ccc4ccccc4c3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.65057296
28290,Cc1cc(OCCN2CCN(c3ccc(OCC(F)(F)F)cc3)CC2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.64119816
28291,Cc1cc(OCCNS(C)(=O)=O)ccc1ONCCc1ccc2c(c1)CC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.12031603
28292,Cc1ccc(-c2cc(C(=O)NCCN3CCN(Cl)CC3)ccc2O)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.15541601
28293,Cc1ccc(Oc2ccc(OCCN3CCN(C=O)CC3)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.31843892
28294,Nc1cccc(ON=Cc2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69871837
28295,O=C(CCCN1CCN(Cc2cccc(F)c2)CC1)C1CCc2ccccc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6902298
28296,O=C1Cc2ccccc2N1CCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.8342775
28297,O=S1(=O)Cc2ccccc2N1CCCCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7399849
28298,Oc1cc2c(cc1CCc1ccccc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.736328
28299,Oc1nc2ccc(Oc3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)cc2o1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73374254
28300,CC(=O)N(C)Cc1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50669086
28301,CC(=O)NCCOc1ccc(ONS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.016114907
28302,CC(=O)NCCOc1ccc(ONS(C)(=O)=O)c(CN2CCCC(Cc3ccc(C)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13011622
28303,CC(C)(C)OC(=O)NCc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6581147
28304,CC1CCN(CCN2CCN(c3ccccc3-c3cc(-c4ccc(F)cc4)ccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7888725
28305,CCCOc1ccc(OCOCC)c(N2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3714152
28306,CCCOc1ccc(OF)c(CN2CCC(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.47541812
28307,CCCOc1ccc(OF)c(CN2CCN(C(=O)c3ccc(C(C)=O)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05948505
28308,CCCOc1ccc(OOC)c(CNc2ccc(OC)c(C(=O)c3ccccc3)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.010871921
28309,CCCOc1ccc(OOC)c(Cc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17952175
28310,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(c3ccc(F)cc3)C(=O)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2671584
28311,CCc1ccccc1C1CCCN(CCOc2ccc(OC)c(S(C)(=O)=O)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.48843828
28312,CN1CCN(CCNC(=O)c2ccc(Cl)c(-c3cc4ccccc4s3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.36605892
28313,COCCCN1CCN(Cc2cccc(CN(C)C(=O)c3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49117362
28314,COCCOc1ccc(OC)c(NCCc2ccc(OC3CCCCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15203445
28315,COc1cc(C(=O)NCCN2CCN(O)CC2)ccc1-c1cc(C)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.15722144
28316,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1Oc1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.39442122
28317,COc1cc2c(cc1O)C1Cc3cccc(-c4cc(Cc5ccccc5)ccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62136376
28318,COc1cc2c(cc1O)C1Cc3cccc(-c4cccc(C(F)(F)F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6943162
28319,COc1cc2c(cc1O)CCN1Cc3c(CNc4cccc(C#N)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5420133
28320,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc(CNC(C)=O)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4017787
28321,COc1cc2c(cc1O)CCN1Cc3c(Cc4cccc(C(F)(F)F)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71154535
28322,COc1cc2c(cc1OC)C1Cc3cccc(COC=Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8047015
28323,COc1cc2c(cc1OCc1ccc(S(C)(=O)=O)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49121806
28324,COc1ccc(OCCCCNC(=O)c2ccccc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.064171925
28325,COc1ccc(OCCCOC(=O)C2CCCCC2)cc1CN1CCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.48428455
28326,COc1ccc(OCCN2CCC(Cc3ccc4ccccc4c3)CC2)cc1OS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.6742253
28327,COc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1N1CCN(S(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.10140041
28328,COc1ccc(OCCNC(=O)c2cc3ccccc3s2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.04843277
28329,COc1ccc(OCCSC)cc1CCNC(=O)c1sccc1C,[*]CCOc1ccc(O[*])c([*])c1,0.015904995
28330,COc1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60839516
28331,COc1cccc(CN2CCN(CCCC(=O)c3ccc(F)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53923243
28332,COc1cccc(CNC(=O)c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44529042
28333,COc1cccc2c1CCN2C(=O)CCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5754251
28334,COc1cccc2c1CN1CCc3cc(NC(C)C)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60577595
28335,COc1ccccc1-c1cc(C(=O)NCCN2CCN(C)CC2)ccc1N(C)C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.36312875
28336,COc1ccccc1CN1CCN(CCOc2ccc(OO)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.53145325
28337,COc1ccccc1N1CCN(CCN2CCC(NC(=O)NCc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8883548
28338,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc4c(c3)OCC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83910215
28339,CSOc1ccc(OCCN2CCC(Oc3ccc4ccc(C)cc4c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.45550856
28340,CSOc1ccc(OCCNC(=O)Cc2ccc3c(c2)CCC(=O)N3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.059439942
28341,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCCC(Cc2ccc(OC3CCCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.14236705
28342,Cc1cc(OCCc2cc(C3CCC(=O)CC3)no2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.12835526
28343,Cc1ccccc1N1CCN(CCN2CCC(c3cc(O)nc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6587903
28344,N#Cc1cccc(-c2ccc(C3CCN(CCN4CCN(c5ccccc5Cl)CC4)CC3)cc2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8593677
28345,O=c1ccc2c(CCCN3CCN(Cc4cccc(Cl)c4)CC3)ccc(O)c2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54132324
28346,OC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccccc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7956061
28347,Oc1ccc2ccc(OCC3CCN(CCN4CCN(c5ccccc5O)CC4)CC3)cc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6951018
28348,Oc1nc2ccccc2n1-c1ccccc1N1CCN(CCN2CCC(O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6747659
28349,CC(=O)OCCOc1ccc(OCN2CCC(C(=O)c3ccc(F)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.42563954
28350,CCC(=O)NCc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36510012
28351,CCCNc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5043551
28352,CCCOc1ccc(OC(=O)NC)c(N2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17175184
28353,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCCC(Cc3ccc(C4CCCC4)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2055627
28354,CCCOc1ccc(OOC(=O)CCc2ccccc2)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5862023
28355,CCCOc1ccc(OOC)c(-c2ccc(C)c(C3CCNCC3)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21672139
28356,CCOC(=O)CCOc1ccc(ONS(=O)(=O)c2ccc(C(C)C)cc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.029491656
28357,CCOc1ccccc1COc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7261138
28358,CCOc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8380947
28359,CCn1cccc(CCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.41460288
28360,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)C=Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6377146
28361,COC1CCN(CCN2CCN(c3ccccc3N=CC3CCc4ccc(O)cc4O3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6653536
28362,COCc1cc2c(cc1OC)CCN1Cc3c(Cc4ccc(OC)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6070977
28363,COc1cc2c(cc1CC(=O)OCc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4058209
28364,COc1cc2c(cc1NOCc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63101363
28365,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc(COC(C)C)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67818236
28366,COc1ccc(OCCF)cc1NCCc1ccc2c(c1)N(S(C)(=O)=O)CCC2,[*]CCOc1ccc(O[*])c([*])c1,0.25500482
28367,COc1ccc(OCCN2CCC(NS(=O)(=O)c3cccc(Cl)c3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.69540066
28368,COc1ccc(OCCN=S(C)(=O)O)cc1NC(=O)Cc1ccc(OC2CCNCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.04533457
28369,COc1ccc(OCCNC(=O)CCc2ccccc2)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.49673468
28370,COc1ccc(OCCNS(C)(=O)=O)cc1CC1CCc2ccc(OCC3CCCC3)cc2N1,[*]CCOc1ccc(O[*])c([*])c1,0.25852558
28371,COc1ccc(OCCOC2CCNCC2)cc1CCc1cccs1,[*]CCOc1ccc(O[*])c([*])c1,0.25814632
28372,COc1ccc(OCCS(C)(=O)=O)cc1C(=O)COc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.20133294
28373,COc1ccc2cccc(-c3cc(C(=O)NCCN4CCN(C)CC4)ccc3C)c2c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.24053007
28374,COc1cccc(-c2cc(C(=O)NCCN3CCN(Cl)CC3)ccc2Cl)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31234285
28375,COc1cccc(CCC(=O)NCCOc2ccc(ON=S(C)(=O)O)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.018890636
28376,COc1cccc(CN2CCN(CCCCCCN3C(=O)c4ccccc4C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.71340877
28377,COc1cccc(Cc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69973385
28378,COc1cccc(Nc2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49527663
28379,COc1cccc2c1CN1CCc3cc(-c4cccc(N)c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6834113
28380,COc1ccccc1-c1cc(C(=O)NCCN2CCN(C#N)CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35664558
28381,COc1ccccc1N1CCN(CCN2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7064068
28382,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85886633
28383,CSc1ccccc1N1CCN(CCN2CCC(c3ccc(O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77334696
28384,Cc1cc(OCCC(F)COc2ccc3c(c2)NC(=O)CC3)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2132131
28385,Cc1cc(OCCCCC(=O)c2ccc(F)cc2)ccc1ON1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20325167
28386,Cc1cc(OCCCN2CCC(c3ccccc3OC3CC3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.68342394
28387,Cc1cc(OCCN2CCC(NS(=O)(=O)c3ccc(F)c(F)c3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.51564115
28388,Cc1cc(OCCNc2ccccc2OC(C)C)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.035346813
28389,Cc1ccc(C(=O)NC2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.55871207
28390,ClCCCN1CCN(Cc2cccc(-c3ccc4occc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6610743
28391,Clc1ccc(CCCN2CCN(Cc3cccc(Cl)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7451891
28392,Fc1cccc(C2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84650004
28393,O=C(NCc1cccc(CN2CCN(CCCCO)CC2)c1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5320732
28394,O=CC1Cc2ccccc2N1CCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.76327896
28395,Oc1cc2c(cc1C1=NCCCC1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5272044
28396,Oc1cccc(CN2CCN(CCCCc3ccccn3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7100766
28397,Oc1cccc2c1CN1CCc3cc(-c4cc5ccc(F)cc5[nH]4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65439934
28398,Oc1nc2ccccc2n1-c1ccccc1N1CCN(CCN2CCC(F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7006838
28399,CC1(C)Cc2ccccc2C(=O)N1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57004595
28400,CCCOc1ccc(OCCCc2ccccc2OC)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21016324
28401,CCCOc1ccc(OCCc2ccccc2)c(C(=O)OCC2CCCCN2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10736906
28402,CCCOc1ccc(OF)c(CN2CCC(c3cccc(NC=O)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5313273
28403,CCCOc1ccc(ON)c(NC(=O)COc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.008116805
28404,CCCOc1ccc(ON2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)c(NS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39533338
28405,CCCOc1ccc(ONS(=O)(=O)c2ccccc2)c(N2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3479251
28406,CCCOc1ccc(ONS(C)(=O)=O)c(NCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07475603
28407,CCCOc1ccc(OOC)c(C2CCC(c3ccccc3OC)CN2CC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31416264
28408,CCCOc1ccc(OOC)c(CCCn2cc(C(F)(F)F)ccc2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15122434
28409,CCCOc1ccc(OOC)c(N2CCN(c3cccc(Cl)c3C(F)(F)F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38364577
28410,CCNCCc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72394377
28411,CNCCOc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7038937
28412,COC1CCN(CCN2CCN(c3ccccc3COc3ccc(-c4cc5ccccn5c4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69406575
28413,COCCCN1CCN(Cc2cccc(CNc3ccccn3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48079294
28414,COCCCN1CCN(Cc2cccc(N3C(=O)c4ccccc4C3C=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5887681
28415,CON1CCN(CCNC(=O)c2ccc(-c3ccccc3[O-])c(O)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3714032
28416,COc1cc2c(cc1C(=O)NCCc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4355809
28417,COc1cc2c(cc1Cc1cccc3cccc(OC)c13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7337629
28418,COc1cc2c(cc1O)C1Cc3cccc(Cc4c[nH]c5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7306054
28419,COc1cc2c(cc1O)CCN1Cc3c(COCc4ccc(CO)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7892513
28420,COc1cc2c(cc1OCc1cccs1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73201597
28421,COc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1cccc(OC)c1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.28370285
28422,COc1ccc(OCCCNC2CCC(Cc3ccc(F)cc3)C2)cc1Br,[*]CCOc1ccc(O[*])c([*])c1,0.26061875
28423,COc1ccc(OCCCc2cccc(F)c2)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7566979
28424,COc1ccc(OCCN2CCC(C)CC2)cc1CS(=O)(=O)c1cc(C(C)C)ccc1C(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.35984707
28425,COc1ccc(OCCN2CCC(Cc3ccc(OC4CCCCC4)cc3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.55274415
28426,COc1ccc(OCCN2CCC(OCc3ccc(F)cc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.74244565
28427,COc1ccc(OCCN2CCc3ccccc3C2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.49012196
28428,COc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1CN1CCC(S(=O)(=O)O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.15023239
28429,COc1ccc(OCCNCc2ccccc2)cc1S(C)(=N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.28380433
28430,COc1ccc(OCCOCc2ccccc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10860459
28431,COc1ccc(OCCS(C)(=O)=O)cc1C(=O)COc1ccc2c(c1)NC(=O)CCC2,[*]CCOc1ccc(O[*])c([*])c1,0.17326741
28432,COc1ccc(OCCS(N)(=O)=O)cc1N1CCC(Oc2ccc(CC3CCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23718877
28433,COc1ccc(OCCS(N)(=O)=O)cc1N1CCC(Oc2ccc3ccc(C)cc3c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19674838
28434,COc1ccc(OCCc2ccc(OCC(F)(F)F)cc2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08688841
28435,CSOc1ccc(OCCN2CCC(NS(=O)(=O)c3ccccc3F)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6054929
28436,CSc1cccc(C(=O)N2CCN(COc3ccc(OCCF)cc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10597169
28437,Cc1cc(OCCF)ccc1ONS(=O)(=O)c1ccc(C2CCCNC2)s1,[*]CCOc1ccc(O[*])c([*])c1,0.1437835
28438,Cc1cc(OCCN2CCC(C=O)(c3ccc(F)cc3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.49047923
28439,Cc1cc(OCCN2CCCC(c3ccccc3)C2)ccc1OCl,[*]CCOc1ccc(O[*])c([*])c1,0.5211335
28440,Cc1cc(OCCNCc2ccc(SC=O)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.12739632
28441,Cc1cccc(OCC(=O)CCOc2ccc(ONS(C)(=O)=O)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.017256424
28442,Clc1cccc(CN2CCN(CCCc3nc4ccccc4s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7166362
28443,O=C(C#Cc1ccccc1)NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81977785
28444,O=[N+]([O-])c1ccccc1N1CCN(CCN2CCC(COc3ccc4nc(O)ccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5110474
28445,Oc1cc2c(cc1O)C1Cc3cccc(-c4ccccn4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63841105
28446,Oc1ccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)cn1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5923295
28447,c1ccc(OCCCN2CCN(Cc3cccc(-c4cc5ccccc5s4)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66357297
28448,CC1(C(=O)NCc2cccc(CN3CCN(CCCF)CC3)c2)CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48564115
28449,CCCOc1ccc(OC(N)=O)c(NCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.038077887
28450,CCCOc1ccc(OCN)c(CN2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8443352
28451,CCCOc1ccc(OF)c(NCC2CCN(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.067163
28452,CCCOc1ccc(ON2CCN(c3ccc(OCC)cc3)CC2)c(C(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13543566
28453,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(Oc3ccccc3CC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23743008
28454,CCCOc1ccc(ONCCc2ccccc2OC)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13709916
28455,CCCOc1ccc(OOC)c(NCCc2cccc(NC(C)=O)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.027885638
28456,CCCOc1ccc(OS(C)(=O)=O)c(Nc2ccccc2OCC(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07579734
28457,CCOc1cccc2c1CN1CCc3cc(Cc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7101042
28458,CNCCc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6879708
28459,COC(=O)Nc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32116783
28460,COCCCN1CCN(Cc2cccc(-c3ccc4c(c3)COCS4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5349564
28461,COCCCN1CCN(Cc2cccc(CC(=O)NC3CCc4ccccc4C3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5024795
28462,COCCOc1ccc(OC)c(NCCc2cccc3ncccc23)c1,[*]CCOc1ccc(O[*])c([*])c1,0.057195533
28463,CON(C)Cc1cccc2c1CN1CCc3cc(O)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7815077
28464,COc1cc2c(cc1NC(=O)OCc1ccc(CO)cc1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.28223532
28465,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccncc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76066893
28466,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc5cccc(OC)c5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7249417
28467,COc1ccc(CC(C)c2cc(OCCN=S(C)(=O)O)ccc2OC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.045613278
28468,COc1ccc(CNCc2cc3c(cc2C)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.544422
28469,COc1ccc(OCCC(N)=O)cc1CN1CCC(c2ccc(C(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.47228014
28470,COc1ccc(OCCC2CCC(c3ccc(OC4CCCNC4)cc3)CC2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.20451632
28471,COc1ccc(OCCC2CCCN(CCc3ccccc3)C2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.43742284
28472,COc1ccc(OCCN2CCC(C)CC2)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.56181914
28473,COc1ccc(OCCN2CCC(Cc3ccc(OC4CCCCC4)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.48377985
28474,COc1ccc(OCCN2CCC(Cc3ccc4sc(C(N)=O)cc4c3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.4365869
28475,COc1ccc(OCCN2CCC(Cc3cccccc4c(cc3)NC4=O)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.6235477
28476,COc1ccc(OCCS(C)(=O)=O)cc1CCC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.2918655
28477,COc1ccc(OCC[SH](C)C)cc1N1CCC(Cc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3802621
28478,COc1ccc(OCC[SH]=O)cc1N1CCC(CC(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21933475
28479,COc1ccc2c(c1)CCN(c1ccccc1N1CCN(CCN3CCC(OC)CC3)CC1)C2=O,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73706996
28480,COc1cccc(-c2cccc3c2CN2CCc4cc(O)c(OCc5ccc(CO)cc5)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4798782
28481,COc1ccccc1-c1cc(C(=O)NCCN2CCN(F)CC2)ccc1F,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.38415045
28482,COc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3ccccc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81947774
28483,CSOc1ccc(OCCN2CCC(C(=O)c3ccc(F)cc3SC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5922731
28484,CSOc1ccc(OCCN2CCC(c3cccc(S(C)(=O)=O)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6970824
28485,CSc1ccc(CC2CCCN(Oc3ccc(OCCN=S(C)(=O)O)cc3C)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.1499705
28486,CSc1ccc(N2CCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.5512893
28487,Cc1cc(C(=O)NCCN2CCN(CO)CC2)ccc1S(C)(=O)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.14090948
28488,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCS4)CC2)ccc1OS(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.47848564
28489,Cc1cc(OCCNC(=O)COc2ccc(C(C)C)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.007983096
28490,Cc1cc(OCCNCc2ccc(OC3CCCCC3)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.14671697
28491,Cc1cc(OCCNS(C)(=O)=O)ccc1ONCCc1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.052812364
28492,Cc1ccc(C)c(C2CCN(Oc3ccc(OCCN=S(C)(=O)O)cc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17565541
28493,Cc1ccc(Cl)cc1C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7797742
28494,Cc1ccccc1N1CCN(CCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71397203
28495,Cc1ccccc1N1CCN(CCN2CCC(c3ccc(C(F)(F)F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72108763
28496,O=C(Nc1cccs1)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45533094
28497,O=C(Oc1cccc(CN2CCN(CCCCc3ccccc3)CC2)c1)C(F)(F)F,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.475568
28498,O=[N+](O)c1cccc(Cc2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6536018
28499,CC(C)Oc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8352792
28500,CC=S(N)(=O)Oc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7351411
28501,CC=S(O)(O)=Cc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7598079
28502,CCC=S(O)c1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74490625
28503,CCCNCc1cc(OCCC)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.067186244
28504,CCCOc1ccc(OC(C)N2CCN(c3ccc(Cl)cc3)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20344272
28505,CCCOc1ccc(OC)c(N2CCN(CCc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8557387
28506,CCCOc1ccc(OCl)c(NCCN2CCCC(c3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5076342
28507,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(c3cnc4ccccc4c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21717301
28508,CCCOc1ccc(ONC(=O)c2ccc(F)cc2)c(CN2CCC(NC(=O)OC)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.44629833
28509,CCCOc1ccc(OOC)c(CNC(=O)c2cc(N3CCCCC3)ccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1008187
28510,CCCOc1ccc(OOC)c(N2CCC(NC(=O)c3cccc(F)c3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20180768
28511,CCCc1cn(CCCc2cc(OCCc3ccc(F)cc3)ccc2OOC)nn1,[*]CCOc1ccc(O[*])c([*])c1,0.111499816
28512,CCOc1cc2c(cc1OC)CCN1Cc3c(Cc4cccc(OC)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55920464
28513,COC1CCN(CCN2CCN(c3ccccc3-c3ccc4c(c3)nc(O)n4C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65631837
28514,COC1CCN(CCN2CCN(c3ccccc3-c3cnc[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.730308
28515,COCCCN1CCN(Cc2cccc(CNS(=O)(=O)c3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4183217
28516,COCc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6614181
28517,CONCCOc1ccc(ON2CCN(c3ccccc3OC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33170876
28518,COOc1ccc(OCCCN2C=CC=NC2)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6219528
28519,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccc([N+](=O)[O-])s1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.17617698
28520,COc1cc2c(cc1O)C1Cc3cccc(-c4cccc(C)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6890276
28521,COc1cc2c(cc1SC)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79224765
28522,COc1ccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2C)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.24231958
28523,COc1ccc(OCCCC=S(N)(=O)O)cc1N1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18890323
28524,COc1ccc(OCCN2CCC(c3cccc(C(F)(F)F)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5717732
28525,COc1ccc(OCCN2CCN(c3ccc(Cl)cc3)CC2)cc1SC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.68384856
28526,COc1ccc(OCCN=S(C)(=O)O)cc1NC(C)Cc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.071578704
28527,COc1ccc(OCCNCc2ccccc2)cc1C(=O)N1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.09572298
28528,COc1ccc(OCCNCc2ccccc2)cc1NS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.21853052
28529,COc1ccc(OCCc2cccc(OCC(F)(F)F)c2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09602115
28530,COc1cccc(C(O)c2cc3c(cc2OC)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57422763
28531,COc1cccc(CN2CCN(CCCc3ccc4ccccc4c3[O-])CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57755476
28532,COc1cccc2c1CN1CCc3cc(-c4ccc(F)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.756854
28533,COc1cccc2c1CN1CCc3cc(C)c(OC(=O)Nc4ccccc4Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.26649556
28534,COc1cccc2c1CN1CCc3cc(CC(C)=O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57081074
28535,COc1ccccc1N1CCN(COc2ccc(OCCC#N)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.70830345
28536,CSOc1ccc(OCCN2CCC(NS(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.586807
28537,Cc1cc(OCCF)ccc1ONC(=O)C1CCCN(Cc2ccc(Cl)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2061468
28538,Cc1cc(OCCN2CCC(COc3ccc4c(c3)NC(=O)CC4)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.6238808
28539,Cc1cc(OCCNS(C)(=O)=O)ccc1OCCCc1ccc(OC2CCNCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.18705301
28540,Cc1cccc(CN2CCN(CCCCc3ccco3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62110084
28541,ClCCCN1CCN(Cc2cccc(Oc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68787915
28542,Clc1cccc(CN2CCN(CCCc3cc(-c4ccccc4)cs3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72959214
28543,FCCCN1CCN(Cc2cccc(-c3ccc(Cl)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72058284
28544,FCCCN1CCN(Cc2cccc(-c3nccs3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70314014
28545,Fc1cccc(C2CCN(CCN3CCN(c4ccccc4OC(F)(F)F)CC3)CC2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8234908
28546,O=C(Nc1ccccn1)NC1CCN(CCN2CCN(c3ccccc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6976169
28547,O=C1c2c(O)cccc2CC1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6359637
28548,OCc1cc2c(cc1Oc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7552415
28549,Oc1cccc2c1CN1CCc3cc(Cc4ccco4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6559474
28550,C=CCOCC1CCN(c2cc(OCCC)ccc2OCF)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.33241415
28551,CC1CCN(CCN2CCN(c3ccccc3-c3cc4ccccc4o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.727879
28552,CCCC(=O)Nc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.22007135
28553,CCCCN1CCN(Cc2cccc(-n3c(O)cc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5745038
28554,CCCOc1ccc(OCCc2ccccc2)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.78182805
28555,CCCOc1ccc(OCN)c(CF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.098653756
28556,CCCOc1ccc(ON2CCC(c3ccccc3OCC)CC2)c(C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37099934
28557,CCCOc1ccc(ON2CCN(Cc3ccccc3OCC)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5869382
28558,CCCOc1ccc(ON=[SH](C)(O)O)c(N2CCCC(CCc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21543969
28559,CCCOc1ccc(ONC(=O)c2ccc(F)cc2)c(C(=O)Nc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.032926977
28560,CCCOc1ccc(OOC)c(N2CCN(c3cc(F)ccc3F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39906743
28561,CCCOc1ccc(OS(C)(=O)=O)c(OC2CCCc3ccccc3C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19844747
28562,CCCc1cc2c(cc1Oc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73919976
28563,CCOc1ccccc1N1CCN(CCN2CCC(c3cccc4nc(O)ccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7586461
28564,CN(CCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)S(=O)(=O)c1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6078252
28565,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccc(F)cc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8075644
28566,COC1CCN(CCN2CCN(c3ccccc3-c3cncc4cc(C(N)=O)ccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6805522
28567,COC1CCN(CCN2CCN(c3ccccc3S(=O)(=O)c3cccc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7348858
28568,COCCCN1CCN(Cc2cccc(-c3cccc(N=S(C)(=O)O)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.529325
28569,COCCCN1CCN(Cc2cccc(C3c4ccccc4C(=O)N3C=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58976066
28570,COCCOc1ccc(OC)c(N2CCCC(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24310534
28571,COc1c(C(=O)CCCN2CCN(Cc3cccc(Cl)c3)CC2)ccc2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5355365
28572,COc1cc2c(cc1C(=O)Nc1cccc(C#N)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35958397
28573,COc1cc2c(cc1O)CCN1Cc3c(cccc3OC(=O)NCc3cccc(F)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40032524
28574,COc1cc2c(cc1OC)C1Cc3cccc(Oc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7485721
28575,COc1ccc(Br)cc1OCC1CCN(CCN2CCN(c3ccccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80592877
28576,COc1ccc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)cc1OS(C)(=O)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.9105108
28577,COc1ccc(OCCN2CCC(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5016479
28578,COc1ccc(OCCN2CCC(Cc3ccc(OC4CCCC4=O)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.43595457
28579,COc1ccc(OCCN2CCC(NS(=O)(=O)c3cccc(Cl)c3)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.6620479
28580,COc1ccc(OCCN2CCCC(Cc3ccc(F)cc3)C2)cc1OC[SH]=O,[*]CCOc1ccc(O[*])c([*])c1,0.43093815
28581,COc1ccc(OCCNCCCc2ccc(F)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.1907742
28582,COc1ccc(OCCOS(=O)(=O)C(F)(F)F)cc1NC(C)Cc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.10793851
28583,COc1ccc(OCCOS(C)=O)cc1CCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.08891893
28584,COc1ccc(OCCS(N)(=O)=O)cc1NC(=O)Cc1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.006706086
28585,COc1ccc(OCCc2ccc(OCC(F)(F)F)cc2)cc1N1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.34073532
28586,COc1cccc(CN2CCN(CCCc3ccccc3Br)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6302202
28587,COc1cccc(Cc2cccc3c2CN2CCc4cc(C)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5848249
28588,COc1cccc2c1CN1CCc3cc(-c4ccc(O)c5ccccc45)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68607277
28589,COc1cccc2c1CN1CCc3cc(C)c(-c4cccnc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5524393
28590,COc1cccc2c1CN1CCc3cc(CC=Cc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6755288
28591,COc1ccccc1NC1CCN(CCOc2ccc(OS(=O)(=O)SO)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.40263456
28592,Cc1cc(OCCNC(=O)Cc2cccc(N3CCN(C)CC3)c2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13473539
28593,Cc1cc(OCCOC(=O)CCc2ccc3c(c2)CCCC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.06843123
28594,ClC1CCN(CCN2CCN(c3ccccc3Cc3ccc(-c4ccccc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68317056
28595,N#Cc1cccc(Cc2cccc3c2CN2CCc4cc(Cl)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.586248
28596,O=C(NCc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2)c1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40597978
28597,O=S(=O)(c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1)c1cccs1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48259285
28598,Oc1ccc(-c2cccc(CN3CCN(CCCCl)CC3)c2)c2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6404948
28599,Oc1ccc(F)c(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8565013
28600,Oc1cccc2c1CN1CCc3cc(-c4ccc[nH]4)c(F)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7475604
28601,CC(=O)C1CCN(CCN2CCN(c3ccccc3-n3c(O)nc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6121232
28602,CC(=O)c1nc(C(F)(F)F)cn1C1CCN(CCN2CCN(c3ccccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6557775
28603,CCCOc1ccc(OCN2CCC(c3ccccc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.56752735
28604,CCCOc1ccc(OCN2CCCC(c3ccccc3OCC)C2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5379637
28605,CCCOc1ccc(OOC)c(Cn2c(O)cc3ccccc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.102279
28606,CCCOc1ccc(OS(N)(=O)=O)c(N2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26396623
28607,CCCOc1ccc(OSC)c(Cc2ccc(OCC(C)=O)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03660188
28608,CCCOc1ccc(OSC)c(N2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36212564
28609,CCCc1cccc(N2CCN(Oc3ccc(OCCNC(C)=O)cc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1105143
28610,CN(C)c1cccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.672598
28611,CN=Cc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7886934
28612,COC1CCN(CCN2CCN(c3ccccc3NC(=O)C=Cc3ccc4c(c3)OCO4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.3730527
28613,COc1cc2c(cc1C=CCc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6956557
28614,COc1cc2c(cc1O)C1Cc3cccc(NC(=O)c4ccc5[nH]ccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.33618963
28615,COc1cc2c(cc1O)CCN1Cc3c(cccc3CN3CCCCC3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5288995
28616,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc(OC#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71197873
28617,COc1cc2c(cc1OCc1ccc(CO)cc1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5830217
28618,COc1cc2c(cc1S(=O)(=O)c1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6423
28619,COc1ccc(OCCCOc2ccc(C(F)(F)F)cc2)cc1NC(=O)C(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.04259302
28620,COc1ccc(OCCN(C)C)cc1CNC(=O)c1cccc(C2CCCCN2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.074523196
28621,COc1ccc(OCCN2CC=C(c3ccccc3)CC2)cc1Br,[*]CCOc1ccc(O[*])c([*])c1,0.6147566
28622,COc1ccc(OCCN2CCC(Nc3ccccc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.577916
28623,COc1ccc(OCCNCc2cccs2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.16267587
28624,COc1ccc(OCCSC(C)=O)cc1NCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.048571374
28625,COc1cccc2c1CN1CCc3cc(-c4ccc(Oc5ccccc5)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67575413
28626,COc1cccc2nccc(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)c12,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.804792
28627,COc1ccccc1-c1cc(C(=O)NCCN2CCN(C)CC2)ccc1C(=O)O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35609743
28628,COc1ccccc1CNC(=O)c1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45073685
28629,COc1ccccc1N1CCCC(CCOc2ccc(OS(C)=O)c(C)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.25265217
28630,COc1ccccc1N1CCN(CCN2CCC(c3cnccc3-c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8515847
28631,CSc1ccc(C2CCN(Oc3ccc(OCCF)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.31649315
28632,Cc1cc(OCCN2CCC(Cc3ccc4ccccc4n3)CC2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.5281902
28633,Cc1cc(OCCN2CCC(c3ccccc3)CC2)ccc1OS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5842258
28634,Cc1cc(OCCN2CCCC2=O)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13508706
28635,Cc1cc(OCCNC(=O)COc2ccc(F)cc2)ccc1ON1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.08522507
28636,Cc1cc(OCCNCCc2ccc(F)cc2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.12942317
28637,Cc1cc(OCCNS(=O)(=O)Cc2cccc(S(C)(=O)=O)c2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.099192105
28638,Cc1cc(OCCSCc2ccc(F)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.049055837
28639,FC(F)(F)OCCCN1CCN(Cc2cccc(-c3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.73608273
28640,FCCCN1CCN(Cc2cccc(-c3ccc4c(c3)OCCO4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5755216
28641,O=C(CCCCN1CCN(Cc2cccc(Oc3ccccc3)c2)CC1)Nc1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.32044095
28642,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)N1CC1c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61031884
28643,O=CNOc1ccc(OCCF)cc1CCN1CCC(C(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6409583
28644,O=c1ccc2c(CCCN3CCN(Cc4cccc(F)c4)CC3)cccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62367755
28645,Oc1cc2c(cc1Cl)C1Cc3cccc(CC4CC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7862882
28646,Oc1cc2c(cc1F)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75116545
28647,Oc1cc2c(cc1Oc1ccccc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7039404
28648,Oc1cc2cc(-c3cc4c(cc3Cl)C3Cc5cccc(O)c5CN3CC4)ccc2[nH]1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6525103
28649,Oc1cccc2c1CN1CCc3cc(OC4CCCCC4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6623811
28650,Oc1nc2cc3ccccc3cc2n1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66476506
28651,C=[SH](O)=Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67344975
28652,CC(=O)NOc1ccc(OCCN2CCC(S(C)(=O)=O)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.4296816
28653,CC1CCN(CCN2CCN(c3ccccc3-n3cc(-c4ccccc4)nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70399946
28654,CCCOc1ccc(OC)c(CNC(=O)c2ccc(C(C)=O)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.023595216
28655,CCCOc1ccc(OOC)c(N2CCC(Cc3ccccc3F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3538485
28656,CCCOc1ccc(OS(C)(=O)=O)c(CCCc2ccc(F)cn2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10185259
28657,CCCOc1ccc(OS(C)(=O)=O)c(CNCc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24122924
28658,CCCOc1ccc(OS(C)(=O)=O)c(NCC2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18365915
28659,CCCOc1ccc(OSC)c(N2CCCC(CCc3cccc(F)c3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33223134
28660,CCCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7518628
28661,CCOC(=O)c1cc2c(cc1O)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42134452
28662,CCOc1ccc(COc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6966075
28663,CCc1ccccc1OC1CCN(CCOc2ccc(OC)c(NS(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5683606
28664,COC(=O)c1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50512195
28665,COc1cc2c(cc1C(F)(F)CO)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66448444
28666,COc1cc2c(cc1C)C1Cc3cccc(OCc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6316233
28667,COc1cc2c(cc1O)C1Cc3cccc(C4(O)CCCCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7473228
28668,COc1cc2c(cc1O)C1Cc3cccc(CCCN4CCCCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63748306
28669,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)OCc4ccco4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48106748
28670,COc1cc2c(cc1OC)C1Cc3cccc(COc4ccc(CO)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7021674
28671,COc1ccc(C2CCCN(CCOc3ccc(OC)c(SC)c3)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.49086443
28672,COc1ccc(OCCCF)cc1NC(=O)Cc1cccc(NS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0053647724
28673,COc1ccc(OCCCNCc2ccco2)cc1CN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.17665029
28674,COc1ccc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.61090654
28675,COc1ccc(OCCN2CCC(Cc3ccc4cccc(C)c4n3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.51429737
28676,COc1ccc(OCCN2CCC(Oc3ccccc3C)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5200275
28677,COc1ccc(OCCNC=O)cc1CN1CCN(c2cccc(C(F)(F)F)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.50863856
28678,COc1ccc(OCCNCS(=O)c2ccc(F)cc2F)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.18631667
28679,COc1ccc(OCCS(=O)(=O)N(C)C)cc1NC(=O)COc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.031586394
28680,COc1ccc(OCCS(N)(=O)=O)cc1CN1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.42439857
28681,COc1ccc(OCCSC)cc1NC(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.02235304
28682,COc1ccc2c(c1)CCC(c1ccccc1N1CCN(CCN3CCC(Cl)CC3)CC1)C2=O,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.726645
28683,COc1cccc(CC(=O)Nc2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.23140919
28684,COc1cccc(CNCCOc2ccc(OOS(C)(=O)=O)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13226753
28685,COc1ccccc1CNc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45512852
28686,COc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccccc4)cc(O)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74998754
28687,COc1ccccc1N1CCN(CCN2CCC(c3nc4ccccc4n3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85332197
28688,CSCCCN1CCN(Cc2cccc(-c3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61381155
28689,CSOc1ccc(OCCN2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5911881
28690,Cc1cc(OCCC(=O)N2c3ccccc3CC2C)ccc1OOC(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.14099808
28691,Cc1cc(OCCF)ccc1OCN1CCC(NS(=O)(=O)c2cccc(C(N)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.34363717
28692,Cc1cc(OCCF)ccc1ON1CCC(C=S(C)(=O)O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.10352524
28693,Cc1cc(OCCN2CCC(c3cc(=O)oc4cc(F)ccc34)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.61591005
28694,Cc1cc(OCCNCC(=O)c2cc3ccccc3s2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08133714
28695,Cc1cc(OCCNS(C)(=O)=O)ccc1OC(O)CCc1ccc2c(c1)CC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.106007226
28696,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCCC(Oc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.36847967
28697,Cc1cc(OCCOC(=O)COc2ccc3c(c2)NC(=O)CC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.096007116
28698,Cc1cc2c(cc1C=NOCc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6183854
28699,O=C(NCc1cccc(CN2CCN(CCCOc3ccccc3)CC2)c1)c1cccs1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46551752
28700,O=C(NCc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1cc(O)nc2ccccc12,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.63558584
28701,O=[N+]([O-])c1cccc(-c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45113924
28702,Oc1cc2c(cc1Cc1[nH]cc3ccccc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7029906
28703,C#Cc1cccc(-c2ccc(C(=O)NCCN3CCN(OC)CC3)cc2O)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32493582
28704,C#Cc1ccccc1N1CCN(CCNC(=O)c2ccc(C)c(OC)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.75041735
28705,C=S(O)(O)=Nc1cc(OCCC)ccc1OCNc1ccccc1OCC,[*]CCOc1ccc(O[*])c([*])c1,0.062203728
28706,CC(=O)NOc1ccc(OCCN2CCCC(c3cccc(OCCF)c3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.38522133
28707,CC(=O)NOc1ccc(OCCN2CCN(c3ccccc3OC(C)C)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.8165954
28708,CC(=O)c1ccc(F)cc1N1CCN(CCOc2ccc(OS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.62111115
28709,CC(NCCCCN1CCN(Cc2cccc(Cl)c2)CC1)c1cc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57367784
28710,CC1(C)CCS(=O)(=O)N1CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56282824
28711,CCCCOc1ccc(OS(N)(=O)=O)c(NCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.073147215
28712,CCCOc1ccc(OCNc2ccccc2OCC)c(N=S(C)(=O)O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.038586624
28713,CCCOc1ccc(ON2CCC(C(=O)O)Cc3ccccc32)c(N2CCCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21387665
28714,CCCOc1ccc(ON2CCN(CCC)CC2)c(OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.43464667
28715,CCCOc1ccc(ON2CCN(c3ccc(F)c(C)c3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2193247
28716,CCCOc1ccc(ON2CCN(c3ncccc3CCC)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.324071
28717,CCCOc1ccc(ON2CCOC(CCc3ccc(F)cc3)C2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29293147
28718,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCCC(S(=O)(=O)c3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1774592
28719,CCCOc1ccc(OOC)c(N2CCN(c3ccccn3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33103243
28720,CCCOc1ccc(OOS(C)(=O)=O)c(CCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11252835
28721,CCCOc1ccc(OS(C)(=O)=O)c(NCCc2ccc3c(c2)COCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13912244
28722,CCCc1ccc(OC2CCCN(c3cc(OCCS(C)(=O)=O)ccc3OC)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.25051245
28723,CCOc1cc2c(cc1OC)CCN1Cc3c(Cc4ccc(C#N)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59581244
28724,CCOc1ccccc1N1CCN(CCN2CCC(c3cnc4ccc(O)cc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6850428
28725,CCOc1ccccc1N1CCN(CCN2CCC(n3cnc(-c4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8188515
28726,CCOc1ccccc1N1CCN(CCOc2ccc(OC=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.73622066
28727,COC1CCN(CCN2CCN(c3ccccc3N3CCc4ccccc4C3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81456244
28728,COCCCN1CCN(Cc2cccc(COc3ccc4ccc(=O)oc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54473186
28729,COCCOc1ccc(OC)c(CN2CCC(Oc3ccc4ccccc4c3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5645489
28730,COOc1ccc(OCCN2CCN(c3ccccc3OC(F)(F)F)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.76472664
28731,COc1cc2c(cc1O)C1Cc3cccc(Cc4cccc(OC(C)C)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5882701
28732,COc1ccc(OCCN2CCC(=O)NC2)cc1-c1ccc(SC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.36633575
28733,COc1ccc(OCCN2CCCCC2)cc1CS(=O)(=O)c1ccc(C)c(Cl)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23478024
28734,COc1ccc(OCCN2CCNC(CCc3ccc(F)cc3)C2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5372121
28735,COc1ccc(OCCN=S(C)(=O)O)cc1NC(=O)c1ccc(C2CC3CCNC(CC3)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.047481466
28736,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1S(=O)(=O)C(C)N,[*]CCOc1ccc(O[*])c([*])c1,0.02885082
28737,COc1ccc(OCCNC(=O)c2ccccc2)cc1CCN1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31372532
28738,COc1ccc(OCCNS(C)(=O)=O)cc1OC1CCN(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.42877162
28739,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(CCc2ccc3c(c2)CC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.34755507
28740,COc1ccc2c(c1)CC(C(=O)OCCCCN1CCN(Cc3cccc(Cl)c3)CC1)CCC2,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57392853
28741,COc1cccc(-c2cccc(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)c2)c1OC,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81923085
28742,COc1cccc(NCc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6139789
28743,COc1cccc2c1CN1CCc3cc(C)c(-c4cccc(CO)c4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5570127
28744,COc1cccc2c1CN1CCc3cc(Cc4cccc5cccc(OC)c45)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7361232
28745,COc1ccccc1N1CCN(CCN2CCC(c3cncc(-c4ccc(Br)cc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79957587
28746,Cc1cc(OCCN2CCC(Cc3ccc(F)cc3)CC2=O)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.31645826
28747,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCCC(Cc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.18471673
28748,Cc1cc(OCCN=S(C)O)ccc1ON1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2419044
28749,Cc1cc(OCCNCCc2ccc(F)cc2)ccc1ON=S(N)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.119120166
28750,Cc1cc(OCCNS(C)(=O)=O)ccc1OCNc1ccccc1OC(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.051626034
28751,Cc1cc2c(cc1O)C1Cc3cccc(OC(C)(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66814834
28752,O=C(NCc1cccc(CN2CCN(CCCCl)CC2)c1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5576233
28753,Oc1cccc(CN2CCN(CCCC3OCCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6098975
28754,C#Cc1ccccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.38880178
28755,CC(C)Oc1ccccc1N1CCN(CCN2CCC(COc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8141179
28756,CC1(C)Oc2ccccc2OC1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6338942
28757,CCCCNc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47523722
28758,CCCOc1ccc(OCN2CCN(c3ccc(C)cc3)CC2)c(CF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.42397177
28759,CCCOc1ccc(OOC)c(CN2CCN(CC([O-])c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35162476
28760,CCOCc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71908957
28761,CC[N+]CC(=O)Oc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5496531
28762,CCc1cc2c(cc1OC)C1Cc3cccc(C(=O)OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5127055
28763,CCc1ccccc1N1CCN(CCN2CCC(C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8311039
28764,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4[nH]c(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85964257
28765,COCCCN1CCN(Cc2cccc(N3C(=O)CC(=O)c4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6221216
28766,COc1c(C)cccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.16138096
28767,COc1cc2c(cc1CNOc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7132947
28768,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(C)[nH]4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78956383
28769,COc1cc2c(cc1O)CCN1Cc3c(Cc4cccc(O[N+](=O)[O-])c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4856656
28770,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(C(C)C)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7296316
28771,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cccc(CO)c3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7412378
28772,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8090041
28773,COc1ccc(C(=O)NCCN2CCN([N+](=O)[O-])CC2)cc1-c1cccs1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26075962
28774,COc1ccc(OCCC(=O)COc2ccc(CF)cc2)cc1CN1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.30439666
28775,COc1ccc(OCCCCSc2cc(F)ccc2OC)cc1CNS(=O)(=O)c1ccccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.13495429
28776,COc1ccc(OCCN2CCC(C(=O)c3ccccc3)CC2)cc1[N+](=O)[O-],[*]CCOc1ccc(O[*])c([*])c1,0.45953748
28777,COc1ccc(OCCN2CCC(c3ccc(Cl)cc3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.7452421
28778,COc1ccc(OCCN2CCCN(c3ccccc3OC)CC2)cc1C=S(=O)(O)O,[*]CCOc1ccc(O[*])c([*])c1,0.7552498
28779,COc1ccc(OCCN=S(C)(=O)O)cc1CN1CCC(c2cc(C)ccc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31578845
28780,COc1ccc(OCCNC(C)=O)cc1CCC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.22211678
28781,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC2(CCCCC2)CCC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.15317339
28782,COc1ccc(OCCOC2CCNCC2)cc1NS(=O)(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.15175416
28783,COc1ccc(OCCS(C)(=N)=O)cc1N1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3236813
28784,COc1ccc(OCCS(N)(=O)=O)cc1OC1CCC(Nc2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.13045976
28785,COc1cccc2c1CN1CCc3cc(-c4cccnc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60993004
28786,COc1cccc2c1CN1CCc3cc(O)c(-c4cccc(C)c4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67353743
28787,COc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3cc(C)ccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7095985
28788,COc1ccccc1N1CCN(CCN2CCC(c3cc4ccc(F)cc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85326976
28789,COc1ccccc1N1CCN(CCN2CCC(n3c(O)nc4ccc(O)cc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82710105
28790,COc1ccccc1N1CCN(CCNC(=O)c2ccc(OC(C)=O)c(C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.8610936
28791,CSOc1ccc(OCCN2CCC(S(=O)(=O)c3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6413037
28792,CSc1ccc(CC2CCN(Oc3ccc(OCCNS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.2083942
28793,Cc1cc(OCCCN2CCC(Oc3ccccc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5717405
28794,Cc1cc(OCCc2ccccc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.06574982
28795,Cc1cc(OCCc2ccccc2COc2ccccc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.06973274
28796,Cc1ccccc1N1CCN(CCN2CCC(c3nccc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6963761
28797,FCCCN1CCN(Cc2cccc(-c3c[nH]c4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67741156
28798,NC(=O)c1ccc2c(c1)CCOC2CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6115443
28799,O=C(NCCc1ccccc1)NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8185796
28800,O=C(O)C1(CCCN2CCN(Cc3cccc(Cl)c3)CC2)CCCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6096582
28801,O=C1Cc2ccccc2N1c1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7393364
28802,O=S(=O)(NC1CCN(CCN2CCN(c3ccccc3OC(F)(F)F)CC2)CC1)c1ccccc1F,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8244092
28803,Oc1ccccc1N1CCN(CCN2CCC(n3c(O)nc4cc(F)ccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7604921
28804,Oc1ccccc1N1CCN(CCN2CCC(n3nc(-c4ccccc4)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69681495
28805,Oc1nc(C2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)c2ccc(F)cc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7746403
28806,CC(=O)CCOc1ccc(ON2CCN(c3ccc(Cl)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23367353
28807,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3cccc(Cl)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.866134
28808,CCCNC(=O)c1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56992054
28809,CCCOc1ccc(OC(C)=O)c(CN2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6262276
28810,CCCOc1ccc(OC)c(CN2CCCC(C=Cc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.53293353
28811,CCCOc1ccc(OC=O)c(NCC2CCc3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3626083
28812,CCCOc1ccc(OCC(=O)Nc2ccc(F)cc2)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.41034076
28813,CCCOc1ccc(OCNS(C)(=O)=O)c(N2CCC(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21482167
28814,CCCOc1ccc(ON)c(NCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07756463
28815,CCCOc1ccc(ON=S(C)(=O)O)c(CNC(=O)Cc2ccco2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.008286175
28816,CCCOc1ccc(ONS(C)(=O)=O)c(C2CCC(COc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3240464
28817,CCCOc1ccc(OOC)c(NCC2CCC(Oc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15004587
28818,CCCOc1ccc(OS(=O)NC)c(N2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31493133
28819,CN(C)C(=O)c1ccccc1N1CCN(CCN2CCC(c3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6926741
28820,COC1CCN(CCN2CCN(c3ccccc3Cc3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72977257
28821,COCCOc1ccc(OC)c(-c2ncccc2CCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13974354
28822,COOc1ccc(OCCNS(=O)(=O)c2ccccc2OCC(F)(F)F)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.08945039
28823,COc1cc(C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.65428483
28824,COc1cc2c(cc1O)C1Cc3cccc(-c4cccc(O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77143824
28825,COc1cc2c(cc1O)CCN1Cc3c(CN)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.85281545
28826,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(COCc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.82006735
28827,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(cccc3OCc3cccc(C#N)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6202786
28828,COc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1cccc(Cl)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3088619
28829,COc1ccc(OCCCNC(C)=O)cc1NS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.04052047
28830,COc1ccc(OCCN(C)C)cc1-c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.22266772
28831,COc1ccc(OCCN2CCC(NC(=O)c3ccc(F)cc3)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.56198835
28832,COc1ccc(OCCN2CCC(NC(=O)c3ccccc3F)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.55330426
28833,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1NC(=O)C1CCN(C)C1,[*]CCOc1ccc(O[*])c([*])c1,0.08280981
28834,COc1ccc(OCCNC(C)=O)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1,[*]CCOc1ccc(O[*])c([*])c1,0.014055333
28835,COc1ccc(OCCNS(C)(=O)=O)cc1CNCc1ccc(S(C)(=O)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.086545855
28836,COc1ccc2c(c1)nc(O)n2-c1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7094144
28837,COc1cccc(CN2CCN(CCCC3SCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61114746
28838,COc1cccc(CN2CCN(CCCS(=O)(=O)c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5416816
28839,COc1cccc(COC(=O)c2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.418987
28840,COc1cccc(COc2cc3c(cc2OC)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69330406
28841,Cc1cc(OCCC(=O)COc2ccc(C(C)C)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.024350796
28842,Cc1cc(OCCCOc2ccc(F)cc2)ccc1ON1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.39704242
28843,Cc1cc(OCCCS(=O)(=O)c2ccccc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09869646
28844,Cc1cc(OCCN2CCCC(c3ccccc3)C2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4084449
28845,Cc1cc(OCCN2CCN(c3ccccc3OC(C)C)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.8126759
28846,Cc1cc(OCCNC(=O)COc2ccc(C(C)F)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.009715078
28847,Cc1cc(OCCOS(C)(=O)=O)ccc1ON1CCC(c2ccc(CC3CCC(=O)N3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2187521
28848,Cc1cc(OCCS(C)(=O)=O)ccc1ONCCc1ccco1,[*]CCOc1ccc(O[*])c([*])c1,0.047888912
28849,Clc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ncccn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.89727134
28850,Fc1ccc(-c2cccc(C3CCN(CCN4CCN(c5ccccc5Cl)CC4)CC3)n2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7513291
28851,Fc1cccc2c1CC(c1cccc(CN3CCN(CCCCl)CC3)c1)C2,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7885843
28852,O=C(CCc1ccccc1)Oc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4726456
28853,O=C1CNc2c(CCCN3CCN(Cc4cccc(Cl)c4)CC3)cccc2O1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6292808
28854,O=C1N(CCCN2CCN(Cc3cccc(F)c3)CC2)c2cccc3cccc(c23)S1(=O)=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6160093
28855,Oc1cc(-c2ccccc2)cn1C1CCN(CCN2CCN(c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7379541
28856,Oc1cc2c(cc1C(F)(F)F)C1Cc3cccc(F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71808827
28857,CCCCN1CCN(Cc2cccc(OCc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5562444
28858,CCCOc1ccc(ON)c(CNc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.099531054
28859,CCCOc1ccc(ON)c(N2CCN(C(CC=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24089456
28860,CCCOc1ccc(ON2CCCC(C(=O)c3ccc(F)cc3)C2)c(SC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18881615
28861,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(Cc3cccc4c3CC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29621327
28862,CCCOc1ccc(ONC(=O)COc2ccccc2NC)c(N(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.02074639
28863,CCCOc1ccc(OS(C)(=O)=O)c(NC2CCc3ccc(CC(C)=O)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28875396
28864,CCCOc1ccc(OS(C)(=O)=O)c(NCCc2ccc3c(c2)CCC(=O)N3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.106981896
28865,CCCc1ccc(-c2cc(OCCS(C)(=O)=O)ccc2OC)cn1,[*]CCOc1ccc(O[*])c([*])c1,0.0667875
28866,CCOc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7477209
28867,CN(c1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1)S(C)(=O)=O,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5666919
28868,CNOc1ccc(OCCNC(=O)C2(C)CCc3ccccc3C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.057543673
28869,COC(=O)Cc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4923836
28870,COC1CCN(CCN2CCN(c3ccccc3-c3cccc(NC(C)=O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6760678
28871,COCCCN1CCN(Cc2cccc(-n3occ(-c4ccccc4)c3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4524989
28872,COOc1ccc(OCCNS(=O)(=O)CCc2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.08483527
28873,COc1cc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)ccc1OC(C)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.7899106
28874,COc1cc2c(cc1-c1cc[nH]c1C#N)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8414622
28875,COc1cc2c(cc1CSc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62455565
28876,COc1cc2c(cc1O)C1Cc3cccc(-c4cccc([N+](=O)OC)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5981411
28877,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(OCc3ccccc3)c3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6758983
28878,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(N(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73356414
28879,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(C=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6467935
28880,COc1ccc(OCCCC(Cc2ccc3c(c2)NC(=O)CC3)OC)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.27350283
28881,COc1ccc(OCCCN2CCN(C(C)=O)CC2)cc1-c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.38954324
28882,COc1ccc(OCCF)cc1CN1CCC(NS(=O)(=O)c2cccc(Cl)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5134457
28883,COc1ccc(OCCF)cc1NC(=O)Cc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.0074359295
28884,COc1ccc(OCCN2CCC(CCc3cccs3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.6482553
28885,COc1ccc(OCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C(=O)C=O,[*]CCOc1ccc(O[*])c([*])c1,0.71318364
28886,COc1ccc(OCCOCc2ccccc2)cc1CN1CCN(S(C)(=O)=O)C(=O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.3795534
28887,COc1ccc(OCCS(C)(=O)=O)cc1-c1ccccc1F,[*]CCOc1ccc(O[*])c([*])c1,0.10139396
28888,COc1ccc(OCCSC)cc1NC(=O)COc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.045433633
28889,COc1cccc2c1CN1CCc3cc(-c4ccc(CO)cc4[N+](=O)[O-])c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41567317
28890,COc1cccc2c1CN1CCc3cc([N+](=O)C(C)=O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4868498
28891,COc1ccccc1C1CCN(CCOc2ccc(ON=S(C)(=O)O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5756778
28892,COc1ccccc1COCc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7522538
28893,COc1ccccc1NC(=O)C1CCN(CCN2CCN(c3ccccc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.35292485
28894,Cc1cc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)ccc1O,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66881245
28895,Cc1cc(OCCN2CCC(C)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5458378
28896,Cc1cc(OCCN2CCC(Cc3ccc(C(=O)N4CCCCC4)cc3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.23951186
28897,Cc1cc(OCCN2CCCC(Cc3ccc(OC4CCC(=O)C4)cc3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3690358
28898,Cc1cc(OCCNCc2cccs2)ccc1OS(=O)(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.12881415
28899,Cc1cc(OCCNS(C)(=O)=O)ccc1ONCCc1ccncc1,[*]CCOc1ccc(O[*])c([*])c1,0.06078773
28900,Cc1cccc(COc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65893084
28901,Fc1ccc(-c2ccc(C3CCN(CCN4CCN(c5ccccc5Cl)CC4)CC3)nc2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79537827
28902,Fc1ccc(-c2cccc(C3CCN(CCN4CCN(c5ccccc5F)CC4)CC3)n2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6610451
28903,O=C(CCc1ccccc1)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5204307
28904,O=C(c1ccc2ccccc2n1)C1CCN(CCN2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.52311456
28905,Oc1[nH]c2ccccc2c1-c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6279214
28906,Oc1cccc2c1CN1CCc3cc(-c4c[nH]c5ccccc45)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6578347
28907,C=S(=O)(O)Oc1ccc(OCCC)cc1N1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.23914352
28908,CC(=O)c1cc2c(cc1O)CCN1Cc3c(Cc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48201203
28909,CCCCc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76247054
28910,CCCOc1ccc(OC(=O)N2CCC(C(=O)Oc3ccc(C(C)C)cc3)CC2)c(NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.039364826
28911,CCCOc1ccc(OC(N)=O)c(N2CCC(c3ccccc3OC3CC3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18233755
28912,CCCOc1ccc(OC)c(CNC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.025929043
28913,CCCOc1ccc(OF)c(CN2CCN(c3ccc(C(F)(F)F)cc3)C2C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3183547
28914,CCCOc1ccc(ONCC=O)c(N2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3295908
28915,CCCOc1ccc(ONCCc2ccccc2)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.75104296
28916,CCCOc1ccc(OOS(C)(=O)=O)c(CN2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7447155
28917,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(Cc3ccc4c(c3)CCC(=O)N4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32500777
28918,CCCOc1ccc(OSC)c(N2CCC(COc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38446665
28919,CCN1C(=O)C(CCCN2CCN(Cc3cccc(OC)c3)CC2)Cc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6730957
28920,CCOc1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5957398
28921,CCOc1ccccc1C1CCN(CCCOc2ccc(OC)c(C(N)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6338872
28922,CCc1ccc(S(=O)(=O)NCCOc2ccc(OS(C)(=O)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.05388568
28923,CCc1ccccc1C1CCN(CCOc2ccc(ONS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6505584
28924,CNCCCc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7396935
28925,COC1CCN(CCN2CCN(c3ccccc3-c3cc4ccccc4cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7614525
28926,COCCCN1CCN(Cc2cccc(CNC3CCCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58275604
28927,COCCOc1ccc(OC)c(N2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24122041
28928,COOc1ccc(OCCCN2CCN(c3ccccc3OC(C)C)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.86243117
28929,COOc1ccc(OCCN2CCN(c3cccc(OCC(F)(F)F)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.7018242
28930,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc[nH]4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7849051
28931,COc1cc2c(cc1OC)C1Cc3cccc(N4CCOCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5271912
28932,COc1cc2c(cc1OC)C1Cc3cccc(OC(=O)c4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4650493
28933,COc1ccc(OCCC(=O)Cc2ccc3c(c2)CC(=O)CC3)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.09268067
28934,COc1ccc(OCCC2CCN(CCc3ccccc3)CC2)cc1OS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.71406627
28935,COc1ccc(OCCC=O)cc1N1CCCC(CCc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2640843
28936,COc1ccc(OCCN2CC=C(c3ccc(F)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5590566
28937,COc1ccc(OCCN2CCC(NS(=O)(=O)c3ccccc3F)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.73129475
28938,COc1ccc(OCCN2CCC(c3ccc(F)cc3)C2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.64241916
28939,COc1ccc(OCCN2CCC3(CCc4ccccc4C(=O)C3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.47250012
28940,COc1ccc(OCCN2CCN(c3ccccc3OCC(C)C)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.90121037
28941,COc1ccc(OCCN=S(C)(=O)O)cc1NC(=O)COc1ccc(C(F)(F)F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.008679946
28942,COc1ccc(OCCN=S(C)(=O)O)cc1NCCc1cc2c(cc1F)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.14773118
28943,COc1ccc(OCCNCCc2ccccc2)cc1OS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.20129704
28944,COc1ccc2cccc(C(=O)c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)c2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73462754
28945,COc1cccc(CCCCN2CCN(Cc3cccc(Cl)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7544874
28946,COc1cccc2c1CN1CCc3cc(-c4ccccc4F)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.664041
28947,COc1cccc2c1CN1CCc3cc(C(C)O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69678223
28948,COc1ccccc1-c1cc(C(=O)NCCN2CCN(OCl)CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35982051
28949,COc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3ccc4nccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8152931
28950,COc1ccccc1N1CCN(Oc2ccc(OCCOC(C)=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.17601442
28951,Cc1cc(OCCCN2CCN(CC(C)Oc3ccc(CF)cc3)C2=O)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.22698982
28952,Cc1cc(OCCN2CCC(Cc3cccs3)CC2)ccc1OCS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.53057
28953,Cc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1ccccc1OC(C)C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.28936246
28954,Cc1ccccc1N1CCN(CCN2CCC(n3ccnc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6862017
28955,FC(F)(F)c1cccc(CN2CCN(CCCc3cccs3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65228736
28956,O=C(CCCCN1CCN(Cc2cccc(Cl)c2)CC1)c1ccc(F)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7019133
28957,O=C(OCc1cccc(C(F)(F)F)c1)c1cccc2c1CN1CCc3cc(Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51035225
28958,Oc1cc2c(cc1O)C1Cc3cccc(Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71736985
28959,CC(=O)N1c2ccccc2CCC1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.657526
28960,CC(=O)Nc1cccc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6197649
28961,CC1Cc2ccccc2N1C(=O)CCCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7797781
28962,CCCOc1ccc(OC(N)=O)c(CC(=O)Nc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0065939506
28963,CCCOc1ccc(OCN2CCC(C(=O)O)=COC2CCC)c(NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18062449
28964,CCCOc1ccc(OCS(N)(=O)=O)c(N2CCC(COc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31595725
28965,CCCOc1ccc(OS(C)(=O)=O)c(OC2CCN(Cc3ccccc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.42806047
28966,CCCOc1ccc(OS(N)(=O)=O)c(CN2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5484979
28967,CCCOc1ccc(OS(N)(=O)=O)c(NC(=O)COc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.008653675
28968,CCCOc1ccc(OSC)c(N2C(=O)CCc3cc(OCC4CCC4)ccc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23547886
28969,CCCOc1ccc(OSC)c(N2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35214463
28970,CCOCCCN1CCN(Cc2cccc(COc3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51061374
28971,CCc1cc2c(cc1OOC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75167453
28972,COC(=O)Oc1ccc(OCCCS(=O)(=O)c2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.03462049
28973,COC1CCN(CCN2CCN(c3ccccc3-c3cc4ccc(F)cc4nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7117198
28974,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4cnco4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75577486
28975,COCCOc1ccc(OC)c(N(C)CCc2ccco2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13615526
28976,COOc1ccc(OCCCN2CC(Cc3ccc4ccccc4c3)CCN2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.2505235
28977,COOc1ccc(OCCN2CC(Cc3ccc(F)cc3)CC2=O)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.17028101
28978,COc1cc2c(cc1O)C1Cc3cccc(CCN(C)Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7937499
28979,COc1ccc(C(=O)C2CCN(COc3ccc(OCCF)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.37545142
28980,COc1ccc(C(=O)NCCN2CCN(O)CC2)cc1-c1cccc(OC)c1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30918372
28981,COc1ccc(F)cc1S(=O)(=O)NCCOc1ccc(ONS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06679222
28982,COc1ccc(OCCCC=Cc2ccco2)cc1C=CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3260818
28983,COc1ccc(OCCCCNC(=O)c2ccc(F)cc2)cc1N=S(C)(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.03426046
28984,COc1ccc(OCCCF)cc1CN1CCN(c2cccc(OC(F)(F)F)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.56081796
28985,COc1ccc(OCCN2CCC(Oc3ccc(CC4CCCCC4)cc3)C2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.42819417
28986,COc1ccc(OCCN2CCCC(CC(=O)c3cccs3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.48879933
28987,COc1ccc(OCCN2CCCC(c3cccc(C(F)(F)F)c3)C2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.45269814
28988,COc1ccc(OCCN2CCN(Cc3ccccc3)CC2)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.56636614
28989,COc1ccc(OCCNC(=O)c2ccc(F)c(F)c2)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.61782813
28990,COc1ccc(OCCNC(=O)c2cccs2)cc1CN(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.03943628
28991,COc1ccc(OCCNC(C)=O)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.04417968
28992,COc1ccc(OCCOS(C)(=O)=O)cc1CCOc1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07288178
28993,COc1ccc(OCCS(C)(=O)=O)cc1CCCCC1CC2=CC=C(OC3CNCCC3=O)CCCC1=C2,[*]CCOc1ccc(O[*])c([*])c1,0.1923874
28994,COc1cccc(CN2CCN(CCCN3c4ccccc4C(C)S3(=O)=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65706265
28995,COc1cccc2c1CN1CCc3cc(CNC(=O)OCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4511058
28996,COc1ccccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1N=S(=O)(O)O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.37106776
28997,COc1ccccc1N1CCN(CCN2CCC(c3ccnc(-c4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87819356
28998,COc1ccccc1N1CCN(CCN2CCC(n3c(O)cc4c(-c5ccccc5)cccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8127757
28999,Cc1cc(OCCN2CCN(c3ccc(F)cc3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.67128956
29000,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)NC(=O)CC3)ccc1OS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.04163265
29001,Cc1cc(OCCNCc2ccsc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1587948
29002,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CC=C(c2ccc(OC(C)C)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18944204
29003,Cc1ccccc1N1CCN(CCN2CCC(c3nc(C(N)=O)cs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.60225725
29004,O=C(NCC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)c1cccnc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81248647
29005,O=C(Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2)Nc1ccc(Cl)cc1Cl,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38772583
29006,Oc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7488139
29007,C=S(O)(O)=NOc1ccc(OCCNCCc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.1939892
29008,CC(=O)c1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1ccccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.28750783
29009,CC(O)c1ccccc1N1CCN(CCN2CCC(C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71974206
29010,CCCOc1ccc(OC(F)COc2ccccc2)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6898753
29011,CCCOc1ccc(OC(N)=O)c(NC(=O)Cc2ccc3ccccc3c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0070480923
29012,CCCOc1ccc(OC)c(N2CCC(c3ccccc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30418268
29013,CCCOc1ccc(OCCNC(=O)c2ccc(F)cc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.042635314
29014,CCCOc1ccc(OCl)c(NC(=O)c2ccccc2OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03585283
29015,CCCOc1ccc(OF)c(CN2CCCC(COC)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38800386
29016,CCCOc1ccc(ON2CCN(c3ccccc3Cl)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37187293
29017,CCCOc1ccc(OS(C)(=O)=O)c(CCOc2ccc(CC3CCCNC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1717434
29018,CCCc1ccc(S(=O)(=O)NCCOc2ccc(OOC)c(C)c2)s1,[*]CCOc1ccc(O[*])c([*])c1,0.064472504
29019,CCOc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79683393
29020,CN(C)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6591696
29021,COC(=O)C1c2ccccc2C(=O)N1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5133191
29022,COC1CCN(CCN2CCN(c3ccccc3-c3ccnc(O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7242456
29023,COC1CCN(CCN2CCN(c3ccccc3COc3ccc(-c4c(O)[nH]c5ccc(O)cc45)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6479369
29024,COC1CCN(CCN2CCN(c3ccccc3Cc3ccc(-c4ccccc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70374024
29025,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4nc(O)[nH]c4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8071784
29026,COCCCN1CCN(Cc2cccc(C(=O)N3C(C)=CCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5082575
29027,COCCCN1CCN(Cc2cccc(CNC(=O)Cc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.33631602
29028,COCCOc1ccc(OC)c(N2CCCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35079542
29029,COOc1ccc(OCCN2CCC(Sc3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6018154
29030,COc1c(OCc2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)ccc2ccccc12,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71318924
29031,COc1cc(C(=O)NCCN2CCN(c3ccccc3C)CC2)ccc1[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.7054449
29032,COc1cc2c(cc1C)CCN1Cc3c(cccc3C(=O)NCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3712438
29033,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(NC5CCCCC5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4219163
29034,COc1cc2c(cc1O)C1Cc3cccc(S(=O)(=O)c4ccc(C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43155667
29035,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCC(C)=O)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5571811
29036,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc(C=NO)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59216297
29037,COc1cc2c(cc1OC)CN(CCOc1ccc(ON=S(C)(=O)O)c(C)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.4033259
29038,COc1cc2c(cc1OCc1cccc([N+](=O)O)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5545387
29039,COc1cc2c(cc1Oc1ccc3ccccc3c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7361819
29040,COc1ccc(OCCC(N)=O)cc1CN(C=O)CCc1ccco1,[*]CCOc1ccc(O[*])c([*])c1,0.0403062
29041,COc1ccc(OCCC=Cc2ccc(OCC(F)(F)F)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.0612043
29042,COc1ccc(OCCF)cc1S(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.04042415
29043,COc1ccc(OCCN2CCC(COc3ccc4c(c3)NC(=O)CC4)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.63791823
29044,COc1ccc(OCCS(C)(=O)=O)cc1NCCc1ccc2c(c1)OC(=O)CCC2,[*]CCOc1ccc(O[*])c([*])c1,0.18440118
29045,COc1ccc(OCCS(N)(=O)=O)cc1N1CCC(Cc2ccc(OC3CCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.255556
29046,COc1ccc2ccc(CC3CCN(CCOc4ccc(OOC(C)=O)c(C)c4)CC3)cc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.38542867
29047,COc1cccc(CN2CCN(CCCCNC(=O)c3ccc(-c4ccccc4)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5752818
29048,COc1cccc(CN2CCN(CCCc3cc4ccccc4[nH]3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5926843
29049,COc1cccc2c1CN1CCc3cc(CCO)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.81022114
29050,COc1cccc2c1CN1CCc3cc(OCC4CCCC4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.593936
29051,COc1ccccc1N1CCN(COc2ccc(OCCc3ccccc3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6763512
29052,Cc1cc(OCCCS(=O)(=O)C(F)(F)F)ccc1ONCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.10997888
29053,Cc1cc(OCCNCC2CCc3ccccc3C2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.307467
29054,Fc1ccccc1N1CCN(CCN2CCC(Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7148804
29055,N#Cc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccc4)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8945399
29056,O=C(Nc1ccc(Cl)cc1)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.28681615
29057,O=C(OC(F)(F)F)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57304907
29058,Oc1cc2c(cc1Cl)C1Cc3cccc(Cc4cccc(F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70368683
29059,CCC(C)CCOc1ccc(OC)c(CN2CCN(C(C)=O)c3ccccc3C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08305654
29060,CCCOc1ccc(OC(C)N=O)c(NCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07074987
29061,CCCOc1ccc(OC)c(CC(=O)N2c3ccccc3CC2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21871133
29062,CCCOc1ccc(OC)c(CN2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4285766
29063,CCCOc1ccc(OCCOc2ccccc2CCC)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19766144
29064,CCCOc1ccc(OCN)c(NC(=O)c2ccccc2OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.029390125
29065,CCCOc1ccc(ON2CCN(c3ccc(C(F)(F)F)cc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3087654
29066,CCCOc1ccc(ON=S(C)(=O)O)c(-c2cccc(OC)c2OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.044300828
29067,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)COc2ccccc2C(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.020326404
29068,CCCOc1ccccc1N1CCN(CCCOc2ccc(OSC)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8611616
29069,CCOC(=O)CCOc1ccc(OC)c(CN2CCN(S(C)(=O)=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20335767
29070,CCOC1CCN(CCN2CCN(c3ccccc3-c3ccc(O)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73210806
29071,CCOCCc1cc(OCCS(C)(=O)=O)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.07256529
29072,CCOc1ccccc1N1CCN(CCN2CCC(c3ccc4cc(OC)ccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68392855
29073,CNC(=O)CCOc1ccc(OC)c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14507
29074,COC(CCCOc1ccc(OSC)c(C)c1)Cc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.19899842
29075,COCCOc1ccc(OC)c(N2CCN(Cc3cc4ccccc4c(=O)[nH]3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.61084986
29076,COc1cc2c(cc1CN(C)Cc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64092994
29077,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc5cc(O)ccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68516326
29078,COc1cc2c(cc1O)C1Cc3cccc(C(=O)c4ccc([N+](=O)[O-])cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45165795
29079,COc1cc2c(cc1O)C1Cc3cccc(CCNC(=O)c4ccc5[nH]ccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43515894
29080,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(C(C)(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71811813
29081,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5718064
29082,COc1cc2c(cc1OC)C1Cc3cccc(CC4CCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76971006
29083,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29157364
29084,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCC4)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5018042
29085,COc1ccc(OCCc2ccc(OCCCF)cc2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.0816851
29086,COc1cccc(O)c1-c1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75359774
29087,COc1cccc2c1CN1CCc3cc(OCC(C)(C)C)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7543721
29088,COc1cccc2c1CN1CCc3cc(Oc4cccc(Cl)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66733813
29089,COc1ccccc1-c1cc(C(=O)NCCN2CCN(C=O)CC2)ccc1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.4001713
29090,COc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3ccc(-c4ccnc(O)c4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73018974
29091,COc1ccccc1N1CCN(CCN2CCC(c3cc(O)nc4ccc(F)cc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8133751
29092,CSc1ccc(CC2CCN(Oc3ccc(OCCF)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.2775981
29093,CSc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3cc4ccccn4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7231152
29094,Cc1cc(OCCN2CCC(C(=O)Cc3ccc(F)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5284663
29095,Cc1cc(OCCN2CCC(Oc3ccccc3)CC2)ccc1ON=S(=O)(O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5147538
29096,Cc1cc(OCCN2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6618341
29097,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCCC(COc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24785163
29098,Cc1cc(OCCNC(=O)CCc2ccccc2)ccc1ON1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.08066442
29099,Cc1cc(OCCNC(=O)Cc2cccs2)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.012891243
29100,Cc1cc(OCCNCCc2cccs2)ccc1ON1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.13123415
29101,Cc1cc2c(cc1O)CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63501745
29102,Cc1cccc2c1CN1CCc3cc(-c4ccc(O)c5ccccc45)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60149807
29103,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(F)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64601505
29104,ClC1CCN(CCN2CCN(c3ccccc3-c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8169929
29105,ClCCCN1CCN(Cc2cccc(C3Cc4ccccc4O3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7401702
29106,O=C(c1cccc(CN2CCN(CCCCl)CC2)c1)N1CC1c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5648173
29107,OCCCN1CCN(Cc2cccc(-c3csc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69596857
29108,OCc1cccc2c1CN1CCc3cc(O)c(Oc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7309627
29109,Oc1cc2c(cc1Cc1cccc3cc[nH]c13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.82435423
29110,CC(C)c1ccccc1N1CCN(CCN2CCC(c3ncc(-c4ccccc4)o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6813697
29111,CCCCN1CCN(Cc2cccc(CNc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.39090192
29112,CCCN1CCCC(c2cc(OCCc3ccc(F)cc3)ccc2OOC)C1,[*]CCOc1ccc(O[*])c([*])c1,0.6630388
29113,CCCOc1ccc(OC(C)COc2ccccc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15587139
29114,CCCOc1ccc(OCF)c(CNc2ccccc2OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09275936
29115,CCCOc1ccc(OF)c(CN2CCN(CC(=O)NCc3ccc(C)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07815315
29116,CCCOc1ccc(OF)c(CN2CCN(CC(=O)c3ccc(C(C)=O)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22940889
29117,CCCOc1ccc(ON2CCC(C(=O)c3ccc(F)cc3)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25639942
29118,CCCOc1ccc(ON2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.42082882
29119,CCCOc1ccc(ON2CCC(c3cccc(C(F)(F)F)c3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4078256
29120,CCCOc1ccc(OS(C)(=O)=O)c(C2CCC(NCc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2076197
29121,CCCOc1ccc(OSC)c(N2CCN(c3cccc(C(C)C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30636942
29122,CCCOc1ccc(OSC)c(N2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3638538
29123,CCCOc1ccc(O[SH](C)(=O)O)c(N2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2371765
29124,CCOC(=O)Oc1ccc(OCCNCc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.11646893
29125,CCc1ccccc1OC1CCCN(CCOc2ccc(OC)c(S(C)(=O)=O)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.44358486
29126,CN(C)Oc1ccc(OCCF)cc1NC(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.03345395
29127,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3ccc4c(c3)Cc3ccccc3-4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81688005
29128,COCCCN1CCN(Cc2cccc(-c3ccc4c(c3)NC(=O)CS4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49962977
29129,COCCCN1CCN(Cc2cccc(Cc3cnco3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4426512
29130,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1cccc(Cl)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29895583
29131,COc1cc2c(cc1-c1ccc(CCF)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75033617
29132,COc1cc2c(cc1C)CCN1Cc3c(cccc3N(C)C)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76362765
29133,COc1cc2c(cc1O)C1Cc3cccc(C(O)CCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.790371
29134,COc1cc2c(cc1O)CCN1Cc3c(CCNC(=O)c4ccc(C#N)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4637711
29135,COc1cc2c(cc1OC)C1Cc3cccc(C(O)(F)F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7388933
29136,COc1cc2c(cc1OC)C1Cc3cccc(CC(C)OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.81185335
29137,COc1ccc(C2CCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.64066905
29138,COc1ccc(OCCC(N)=O)cc1N1CCC(C)C(c2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.27344605
29139,COc1ccc(OCCCN2CCCC(c3ccccc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5645659
29140,COc1ccc(OCCN2CCCC(c3ccccc3C)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.46475035
29141,COc1ccc(OCCN2CCCC2=O)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16870658
29142,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1CN1CCC(C(=O)O)Cc2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.3163667
29143,COc1ccc(OCCNCCc2ccccc2)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2090381
29144,COc1ccc(OCCNCc2cccs2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.13764583
29145,COc1ccc(OCCS(=O)(=O)O)cc1N1CCCC(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19888392
29146,COc1ccc(OCCS(C)(=O)=O)cc1NCCc1ccncc1,[*]CCOc1ccc(O[*])c([*])c1,0.051757846
29147,COc1cccc(CN2CCN(CCCn3cccc3O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5594646
29148,COc1cccc2c1CN1CCc3cc(-c4ccccc4O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70908034
29149,COc1ccccc1-c1cc2c(cc1OC)CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6684637
29150,COc1ccccc1N1CCN(CCN2CCC(NC(=O)Nc3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72288984
29151,COc1ccccc1NC(=O)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.39451632
29152,CSc1ccc(CNCCOc2ccc(ONS(C)(=O)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.107611544
29153,Cc1cc(OCCC(=O)COc2ccccc2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.02631325
29154,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.0983943
29155,Cc1cc(OCCNS(=O)(=O)c2ccc(F)cc2)ccc1ON1CCC(C)OC1,[*]CCOc1ccc(O[*])c([*])c1,0.16138797
29156,Cc1cc2c(cc1O)C1Cc3cccc(Cc4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55910456
29157,FCCCN1CCN(Cc2cccc(-c3ccc4ccoc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7014513
29158,Fc1cccc(CN2CCN(CCCc3cc4ccccc4[nH]3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61178195
29159,O=C1c2ccccc2S(=O)(=O)N1CCCN1CCN(Cc2cccc(OC(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5696844
29160,Oc1cc2c(cc1C=Nc1cccc(Cl)c1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5792989
29161,Oc1cccc(C2CCN(CCN3CCN(c4ccccc4OCCF)CC3)CC2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7958197
29162,Oc1cccc2c1CN1CCc3cc(OCc4ccccc4)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7383542
29163,CC(=O)CCOc1ccc(ON2CCC(Cc3ccc4c(c3)NC(=O)CCC4)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17857309
29164,CC(O)c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6733805
29165,CC(O)c1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70726913
29166,CCCOc1ccc(OCN(C)S(C)(=O)=O)c(CN2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5087828
29167,CCCOc1ccc(OCN=S(C)(=O)O)c(N2CCC(c3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20863588
29168,CCCOc1ccc(ON(C)S(C)(=O)=O)c(N2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34364057
29169,CCCOc1ccc(ON2CCC(c3ccccc3C)CC2)c(N)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3737108
29170,CCCOc1ccc(ON=S(C)(=O)O)c(CCCc2ccc(C3CCNCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14239226
29171,CCCOc1ccc(ON=S(C)(=O)O)c(NCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07095436
29172,CCCOc1ccc(ONC(=O)c2ccccc2)c(CNC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.029814199
29173,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCCC(CCc3ccc4c(c3)NC(=O)CCC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33189702
29174,CCCOc1ccc(OSC)c(CCNC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.029160783
29175,CCN1C(=O)CCc2ccc(CC(=O)NCCOc3ccc(OC)c(SC)c3)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.07263458
29176,CCc1ccccc1N1CCN(CCN2CCC(n3nc(-c4ccccc4)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6657683
29177,CNc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63551646
29178,COCCOc1ccc(OCN2CCN(c3ccc(C)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37451044
29179,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.23624632
29180,COc1cc2c(cc1-c1ccc(C)c3ccccc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6400143
29181,COc1cc2c(cc1-c1ccccc1O)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7505531
29182,COc1cc2c(cc1Cl)C1Cc3cccc(Oc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71000147
29183,COc1cc2c(cc1O)CCN1Cc3c(cccc3C[N+](C)=O)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7505881
29184,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1cc(C)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.1733946
29185,COc1ccc(C(=O)NCCN2CCN(c3cccc(N)c3)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.65158355
29186,COc1ccc(OCCC(C)COc2ccccc2)cc1N(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.12615208
29187,COc1ccc(OCCN2CCC(C(=O)c3cccs3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.6053554
29188,COc1ccc(OCCN2CCC(Cc3ccc4ccccc4c3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6584213
29189,COc1ccc(OCCN2CCC(c3ccccc3C(F)(F)F)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.70009315
29190,COc1ccc(OCCS(=O)(=O)N(C)C)cc1CN1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.55253345
29191,COc1ccc(OCCS(N)(=O)=O)cc1N1CCOCC1Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.14739634
29192,COc1cccc(C2CCN(CCN3CCN(c4ccccc4OC(C)C)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87939787
29193,COc1cccc(CN2CCN(CCCC3CCC(NC(=O)Cc4ccccc4)CC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.36614
29194,COc1cccc(CN2CCN(CCCS(=O)(=O)N3Cc4ccccc4C3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6906652
29195,COc1cccc2c1CN1CCc3cc(-c4cc5ccccc5n4C)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63820815
29196,COc1cccc2c1CN1CCc3cc(-c4ccccc4C#N)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6960195
29197,COc1cccc2c1CN1CCc3cc(Cc4ccc5c(OC)cccc5c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6767348
29198,COc1ccccc1-c1cc(C(=O)NCCN2CCN(C(C)C)CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35654876
29199,CSOc1ccc(OCCNC(=O)Cc2ccc3c(c2)CCCC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.024431402
29200,CSc1ccc(N2CCN(Oc3ccc(OCCF)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.27205113
29201,Cc1cc(OCCN2CCC(CCc3ccccc3)CC2)ccc1OCS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.56004214
29202,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCS4)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.5777297
29203,Cc1cc(OCCN2CCC(c3ccc(OC4CCCNC4)c(C=O)c3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4810011
29204,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCCC(Cc2ccc(NS(C)(=O)=O)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.16899331
29205,Cc1ccccc1N1CCN(CCN2CCC(Cc3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66027564
29206,Cc1ccccc1N1CCN(CCN2CCC(Nc3cccc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7183764
29207,Fc1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5851697
29208,O=C(c1cccc(CN2CCN(CCCCl)CC2)c1)N1Cc2ccccc2C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56385744
29209,O=C1c2ccccc2S(=O)(=O)N1c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66280407
29210,O=c1ccccn1CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66275185
29211,OCc1cc2c(cc1O)CCN1Cc3c(cccc3OC(F)(F)F)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.704964
29212,Oc1cc2c(cc1-c1cccc(Cl)c1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64357555
29213,Oc1cc2ccccc2n1C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7372074
29214,CC(=O)NOc1ccc(OCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.76656264
29215,CC(=O)c1ccc(CNC(=O)CN2CCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.14922512
29216,CC(=O)c1ccccc1N1CCN(CCN2CCC(C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.62260646
29217,CC1CCN(CCN2CCN(c3ccccc3-c3ccc(O)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75269353
29218,CCCOc1ccc(OF)c(CN2CCN(C(C)=O)C(C)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25993347
29219,CCCOc1ccc(OF)c(CNC2CCN(Cc3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.53701746
29220,CCCOc1ccc(ON2CCC(Nc3ccccc3OC)CC2)c(C(F)(F)F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2426256
29221,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(c3ccc4nc(O)oc4c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19750553
29222,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3cccc4c3NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35545576
29223,CCOCc1cc(OCCF)ccc1OCN1CCN(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.49083766
29224,CCc1ccccc1N1CCN(CCN2CCC(c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82560897
29225,COC(=O)C1CCN(CCN2CCN(c3ccccc3NC(=O)c3cc4ccccc4nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.39456037
29226,COC(=O)C1Cc2ccccc2N1C(=O)CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68749774
29227,COC1CCN(CCN2CCN(c3ccccc3-c3cc(O)nc4cc(F)ccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74609625
29228,COCCCN1CCN(Cc2cccc(-c3ccccc3S(C)(=O)=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53908855
29229,COCCCN1CCN(Cc2cccc(C3c4ccccc4CS3(=O)=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63714844
29230,COCCCN1CCN(Cc2cccc(CNC(=O)C3CC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.453997
29231,COCCCN1CCN(Cc2cccc(COc3ccc4oc(=O)ccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53962517
29232,COCCOc1ccc(OC)c(N2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.382735
29233,COCCOc1ccc(OC)c(N2CCCC(c3ccccc3OCCF)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.41640776
29234,COc1cc2c(cc1N)CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.728061
29235,COc1cc2c(cc1NC(=O)OCc1ccc3ccccc3c1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3099059
29236,COc1cc2c(cc1O)CCN1Cc3c(C=CCNCc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65072405
29237,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc([N+](=O)[O-])cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57893544
29238,COc1cc2c(cc1OC)C1Cc3cccc(OCc4cccc(Cl)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68930966
29239,COc1ccc(OCCCS(C)(=O)=O)cc1NC(=O)COc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.011534829
29240,COc1ccc(OCCCl)cc1N1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4268831
29241,COc1ccc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.6931597
29242,COc1ccc(OCCN2CCCC(Cc3ccc4c(c3)NC(=O)CC4)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.49943405
29243,COc1ccc(OCCN2CCCCC2=O)cc1NS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.10086697
29244,COc1ccc(OCCNC(c2ccc(F)cc2)C2CCCCC2)cc1CN1CCCS1(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3108698
29245,COc1ccc(OCCNC=O)cc1NC(=O)COc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.026659792
29246,COc1ccc(OCCNCC2CCN(c3ccccc3OC)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.21955334
29247,COc1ccc(OCCNCc2ccco2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.12283704
29248,COc1ccc(OCCS(N)(=O)=O)cc1-c1ccc(OCC(F)(F)F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.071357206
29249,COc1cccc(COc2cc3c(cc2O)CCN2Cc4c(cccc4C(C)=O)CC32)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45207933
29250,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(OC)CC2)cc1NS(C)(=O)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3232589
29251,COc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3cc(O)nc4cc(F)ccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70146
29252,COc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccncc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9183082
29253,COc1ccccc1N1CCN(CCOc2ccc(OSC)c(C)c2)C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.28521386
29254,CS(=O)(=O)c1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.710794
29255,CSc1ccc(C2CCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.62749547
29256,Cc1cc(OCCF)ccc1ON1CCN(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.30007675
29257,Cc1cc(OCCN2CCC(Cc3ccc(OC4CCC(=O)NC4)cc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.541318
29258,Cc1cc(OCCN2CCC(Cc3ccc4ccccc4c3)NC2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.4619343
29259,Cc1cc2c(cc1-c1ccsc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6912897
29260,Cc1ccc(OC2CCN(CCCOc3ccc(ONS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.4969597
29261,FCCCN1CCN(Cc2cccc(-c3ccc4occc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68721926
29262,Fc1cccc(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85588115
29263,Fc1cccc(OC2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8451787
29264,O=C(NCCN1CCN([N+](=O)[O-])CC1)c1ccc(-c2ccccc2Cl)c(O)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3359424
29265,OCc1cc2c(cc1O)C1Cc3cccc(CCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.757907
29266,CC=NOCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64753467
29267,CCCCN1CCN(Cc2cccc(CNC(=O)c3cc4ccccc4s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.42081094
29268,CCCNC(=O)c1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5183255
29269,CCCOc1ccc(OCN2CCC(c3cccc(OC)c3)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5409153
29270,CCCOc1ccc(ONS(C)(=O)=O)c(NC(=O)c2ccc(C)cc2OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.010295943
29271,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCCC(CCc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24922156
29272,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)c2c(CSCC)sc3ccccc23)c1,[*]CCOc1ccc(O[*])c([*])c1,0.024216538
29273,CCCc1cccc(-c2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7644495
29274,CCOC(=O)Oc1ccc(OCCCN2CCCN(c3ccccc3OC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.67787653
29275,CCOC(=O)Oc1ccc(OCCN2Cc3ccccc3CC(C)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.23700872
29276,CCOCCCN1CCN(Cc2cccc(CC(=O)N3Cc4ccccc4C3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4263475
29277,CCOc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccccc4)no3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80830675
29278,CCc1ccc(C(=O)NCCOc2ccc(OC)c(N(C)S(C)(=O)=O)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.017219031
29279,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4cc(Br)ccc4O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.789059
29280,COCCCN1CCN(Cc2cccc(-c3ccc4c(c3)OCC(Nc3ccccc3)=C4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.47514352
29281,COCCCN1CCN(Cc2cccc(C3=CC(=O)C(=O)C3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.50533456
29282,COCCCN1CCN(Cc2cccc(CCNC(=O)c3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5258754
29283,COCCCN1CCN(Cc2cccc(CNC(=O)c3ccc(-c4ccccc4)o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.40300912
29284,COCCOc1ccc(OC)c(N2CCN(c3ccccc3C(F)(F)F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36151996
29285,COOc1ccc(OCCNCCCC2CC3=C2NC=C(F)C=C3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.24445778
29286,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27074412
29287,COc1cc(OCCCF)ccc1OCN1CCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6006938
29288,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc5c(c4)OCO5)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6566735
29289,COc1ccc(CC(C)Nc2cc(OCCNS(C)(=O)=O)ccc2OC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.08885993
29290,COc1ccc(OCCN2CCC(NC(=O)c3cccc(C(C)=O)c3)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.53521353
29291,COc1ccc2cc(-c3cccc4c3CN3CCc5cc(OC)c(OC)cc5C3C4)[nH]c2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6650621
29292,COc1cccc(Oc2cc3c(cc2O)CCN2Cc4c(cccc4OC)CC32)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73202455
29293,COc1cccc2c1CN1CCc3cc(-c4ccc5ccc(CO)cc5c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59975255
29294,COc1cccc2c1CN1CCc3cc(OC(C)F)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7409709
29295,COc1ccccc1N1CCN(CCCOc2ccc(ON3CCCCC3=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.65389675
29296,COc1ccccc1N1CCN(CCN2CCC(N)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.94319046
29297,CSc1ccc(C2CCN(Oc3ccc(OCC[SH](C)(=O)O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.22948591
29298,Cc1cc(OCCC(=O)CCc2ccc3c(c2)NC(=O)CC3)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.13017108
29299,Cc1cc(OCCF)ccc1OCN1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4891512
29300,Cc1cc(OCCF)ccc1OCNCC1CCN(S(=O)(=O)c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.12888494
29301,Cc1cc(OCCF)ccc1ON1CCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3368142
29302,Cc1cc(OCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5738285
29303,Cc1cc(OCCNCc2cccc3c2OC(N)CCCCC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.22375575
29304,Cc1cc(OCCNCc2ccccc2)ccc1OSCCc1ccc2c(c1)NN(C=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.26707205
29305,Cc1ccccc1N1CCN(CCN2CCC(COc3ccc(-c4ccccc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69800925
29306,Clc1ccccc1N1CCN(CCN2CCC(Cc3cnc4ccccn34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73939425
29307,FCCCN1CCN(Cc2cccc(C=Cc3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.693274
29308,Fc1ccc(-c2ccc(C3CCN(CCN4CCN(c5ccccc5F)CC4)CC3)nn2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7308918
29309,O=C1C(=O)N(Cc2cccc(CN3CCN(CCCCl)CC3)c2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5597349
29310,O=c1ccc2ccccc2n1CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65711194
29311,O=c1oc2ccccc2n1CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67757785
29312,Oc1cc2c(cc1-c1cc(F)ccn1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6468892
29313,Oc1cc2c(cc1-c1ccc3cc[nH]c3c1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6550285
29314,C#Cc1ccccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.34190336
29315,CC(=O)N1CCN(Oc2ccc(OCCNC(=O)Cc3cccnc3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.03390566
29316,CC(C)Oc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80204606
29317,CC(C)c1ccccc1N1CCN(CCN2CCC(Cc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72278345
29318,CC1CCN(CCN2CCN(c3ccccc3-n3ccc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65429354
29319,CCCOc1ccc(OC)c(CN2CCCN(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7712922
29320,CCCOc1ccc(ON=S(C)(C)=O)c(N2CCC(Oc3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29260048
29321,CCCOc1ccc(ONS(C)(=O)=O)c(NCCCC2CCC3=CC=CC=CC32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22593187
29322,CCCOc1ccc(OOC)c(-n2cccc2OCC(F)(F)F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15000373
29323,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(NC(C)=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14841257
29324,CCONCc1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71647626
29325,CCOc1cccc2c1CCC(NCCOc1ccc(OCS(N)(=O)=O)c(C)c1)C2,[*]CCOc1ccc(O[*])c([*])c1,0.5697816
29326,CN(Cc1cccc(CN2CCN(CCCCl)CC2)c1)S(=O)(=O)c1cccc(Cl)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48219624
29327,COC1CCN(CCN2CCN(c3ccccc3Oc3cnc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.791554
29328,COCC(=O)C1CCCN1CCOc1ccc(OC)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16477509
29329,COOc1ccc(OCCN2CCN(CCc3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.55814093
29330,COOc1ccc(OCCN2CCN(c3ccccc3F)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5994648
29331,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccccn4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.692532
29332,COc1cc2c(cc1OCc1ccc(C#N)cc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71722925
29333,COc1ccc(C(=O)NCCN2CCN(c3ccccc3OCCF)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.84247607
29334,COc1ccc(C(=O)c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.563267
29335,COc1ccc(Cc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76223844
29336,COc1ccc(OCCC(=O)c2cccc(C(C)C)c2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.021210225
29337,COc1ccc(OCCF)cc1CNS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07063638
29338,COc1ccc(OCCN2CCCC(c3ccccc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5073748
29339,COc1ccc(OCCNCCc2ccc(F)cc2)cc1CCl,[*]CCOc1ccc(O[*])c([*])c1,0.17236677
29340,COc1ccc(OCCNS(=O)(=O)c2cc(F)ccc2F)cc1CN1CCC(Sc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.43666387
29341,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCCC(CCc2cccc3c2NC(=O)CC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.29770142
29342,COc1ccc(OCCOS(C)(=O)=O)cc1N1CCC(S(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25066918
29343,COc1ccc(OCCS(C)(=O)=O)cc1CCCc1ccccc1OC1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.22766933
29344,COc1ccc(OCCc2ccc(S(C)(=O)=O)cc2)cc1C(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.059033472
29345,COc1ccc2cc(Oc3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)c(OC)cc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8471471
29346,COc1cccc(Cc2cc3c(cc2CO)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60464185
29347,COc1cccc2c1CN1CCc3cc(CNC4CCCCC4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56966853
29348,COc1cccc2c1CN1CCc3cc(CNc4ccc(C#N)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5160147
29349,COc1cccc2c1CN1CCc3cc(Cc4ccc(OC(F)(F)F)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72201616
29350,COc1cccc2c1CN1CCc3cc(Cc4ccccc4)c([N+](=O)[O-])cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48359108
29351,COc1ccccc1N1CCN(CCN2CCC(c3ncc(Cl)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8257284
29352,COc1ccccc1Nc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.25842756
29353,Cc1cc(OCCF)ccc1ON1CCCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3153673
29354,Cc1cc(OCCS(N)(=O)=O)ccc1ON1CCC(Oc2ccc(CC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2163943
29355,Cc1cc(OCCc2ccc(F)cc2)ccc1ONCC1C(=O)COc2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.11700608
29356,Cc1cc2c(cc1O)C1Cc3cccc(-c4ccccn4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5568043
29357,Cc1ccccc1N1CCN(CCN2CCC(C(=O)N(C)Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64132327
29358,FCCOc1cccc(CN2CCN(CCCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7013675
29359,Fc1cccc(CN2CCN(CCCCc3ncco3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6882339
29360,O=C(Cc1cccc(CN2CCN(CCCF)CC2)c1)c1cc2ccccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70833766
29361,O=C(NCCCCN1CCN(Cc2cccc(F)c2)CC1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6510191
29362,O=C(OCc1ccccc1)c1cccc2c1CN1CCc3cc(O)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49721906
29363,O=C1CCc2ccc(OC3CCN(CCN4CCN(c5ccccc5[N+](=O)[O-])CC4)CC3)cc2N1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5855256
29364,Oc1cc2c(cc1-c1cc[nH]n1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59549975
29365,CC1(C)Cc2ccccc2N1C(=O)c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6866535
29366,CCCOc1ccc(OC(=O)NC)c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10745653
29367,CCCOc1ccc(OC(C)NS(C)(=O)=O)c(CC(C)Cc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07126569
29368,CCCOc1ccc(OCCNc2ccccn2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15954125
29369,CCCOc1ccc(OCF)c(CC2CCN(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12073985
29370,CCCOc1ccc(ON2CCN(c3ccc(CC(F)(F)F)cc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3084996
29371,CCCOc1ccc(OOC)c(CN2CCC(c3cc(C)on3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.58695847
29372,CCCOc1ccc(OOC)c(N2CCN(c3ccccc3OC(C)C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.44573474
29373,CCCOc1ccc(OS(C)(=O)=O)c(N(CCC)C2CCc3ccc(F)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.605685
29374,CCOc1ccccc1N1CCN(CCCOc2ccc(OOC)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.84917504
29375,CCc1cc2c(cc1CO)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6274509
29376,CCc1ccccc1C1CCN(CCCOc2ccc(OC)c(S(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.63889825
29377,COC1CCN(CCN2CCN(c3ccccc3Cc3cc(F)ccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7328744
29378,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc(O)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85093594
29379,COCCCN1CCN(Cc2cccc(-c3ccc(-c4ccccc4)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5811626
29380,COCCCN1CCN(Cc2cccc(C(=O)NC3CCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60890275
29381,COCCCN1CCN(Cc2cccc(Cc3ccc4c(c3)-c3ccccc3C4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6466161
29382,COCCCN1CCN(Cc2cccc(Oc3ccc4c(c3)CC(NC(C)=O)CC4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5803609
29383,COCCOc1ccc(OC)c(CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7129458
29384,COOc1ccc(OCCCCCOc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.28154665
29385,COOc1ccc(OCCNCCc2ccc3c(c2)SC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.16856968
29386,COc1cc2c(cc1O)CCN1Cc3c(Cc4cccc(OC(C)C)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5252429
29387,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(NC4CCCCC4)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.37219223
29388,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1cccc(Cl)c1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29589027
29389,COc1ccc(CN2CCC(C(=O)c3cc(OCCOCCF)ccc3OC)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.45248356
29390,COc1ccc(COc2cccc3c2CN2CCc4cc(OC)c(N(C)C)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7310836
29391,COc1ccc(OCCF)cc1CN1CCC(NS(=O)(=O)c2cccc(C(C)C)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.53855306
29392,COc1ccc(OCCN2C=CC(=O)CC2)cc1NS(=O)(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.16748624
29393,COc1ccc(OCCN2CCC(C(=O)c3ccccc3)CC2)cc1C(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5814942
29394,COc1ccc(OCCN2CCN(c3ccc(Cl)cc3)CC2)cc1SC(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.67069685
29395,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1CN1CCCC(SCc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.26463118
29396,COc1ccc(OCCNCC2CCc3sc(C(N)=O)cc3C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.11441823
29397,COc1ccc(OCCOS(C)(=O)=O)cc1CCCc1ccc2c(c1)CC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.22396022
29398,COc1cccc(CNC(=O)c2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38242587
29399,COc1cccc(Oc2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7487861
29400,COc1cccc2c1CCC(CNOc1ccc(OCCF)cc1C)C2,[*]CCOc1ccc(O[*])c([*])c1,0.64290816
29401,COc1cccc2c1CN1CCc3cc(OCc4ccc(C)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.533835
29402,COc1ccccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1F,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3959499
29403,COc1ccccc1N1CCN(CCN2CCC(Oc3ccc4ccc(C(N)=O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7364318
29404,CSOC1CCN(CCN2CCN(c3ccccc3COc3ccc4c(c3)NC(=O)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.62935865
29405,Cc1cc(OCCCCCc2ccc3c(c2)NC(=O)CC3)ccc1OSCCN,[*]CCOc1ccc(O[*])c([*])c1,0.19642898
29406,Cc1cc(OCCCNCc2ccccc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.22906637
29407,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)CCC(=O)N4)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5223993
29408,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(OC2=CC=C3C=CC(CCCCC2)C3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.16219066
29409,Cc1cccc2c1CN1CCc3cc(C(=O)Nc4c(Cl)cccc4Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.37264207
29410,Cc1nc2ccccc2n1C(=O)CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.35261664
29411,N#CC1CCN(CCN2CCN(c3ccccc3NCC3CCc4ccc(O)cc4O3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.53415215
29412,O=S1(=O)C=C(c2cccc(CN3CCN(CCCCl)CC3)c2)c2ccccc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7020314
29413,C=Cc1ccccc1OC1CCN(c2cc(OCCS(C)(=O)=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3304201
29414,CC(O)N=Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7020502
29415,CCCC(=O)CCOc1ccc(OC)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6441231
29416,CCCCN1CCN(Cc2cccc(CC(=O)N3c4ccccc4CC3C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6768726
29417,CCCCc1ccccc1OCCOc1ccc(OS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13600695
29418,CCCOc1ccc(OC)c(NC(=O)c2ccc3c(c2)N(C)C(=O)c2ccccc2[S+]3[O-])c1,[*]CCOc1ccc(O[*])c([*])c1,0.66060925
29419,CCCOc1ccc(OCN2CCN(c3ccccc3OC)CC2)c(Cn2ccc(CCC)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6400084
29420,CCCOc1ccc(ON=S(C)(=O)O)c(C(C)COc2ccc3c(c2)CCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1113988
29421,CCCOc1ccc(ONC(c2cc(CF)ccc2OC)C2CCNCC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15016009
29422,CCCOc1ccc(ONS(=O)(=O)c2ccc(C(C)C)cc2)c(N2CCCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.119656205
29423,CCCOc1ccc(ONS(C)(=O)=O)c(CCCc2ccc(C3CCCCN3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15993331
29424,CCCOc1ccc(OSC)c(C2CCC(COc3ccc4c(c3)CCC(=O)N4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22847727
29425,CCCOc1ccc(Oc2ccccc2OCCF)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17033115
29426,CCCOc1ccc(Oc2cccn2CCc2ccccc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18546633
29427,CCOc1cccc(CN2CCN(CCCc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6997613
29428,CN(Cc1cccc(CN2CCN(CCCCl)CC2)c1)C(=O)C1Cc2ccccc2C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6400238
29429,COC(=O)Oc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.01096304
29430,COC1CCN(CCN2CCN(c3ccccc3-c3cc(O)n[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7639665
29431,COC1CCN(CCN2CCN(c3ccccc3-c3cnc4cc(F)ccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77278715
29432,COC1CCN(CCN2CCN(c3ccccc3-n3c(O)nc4c(-c5ccccc5)cccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7315157
29433,COC1CCN(CCN2CCN(c3ccccc3COc3ccc([N+](=O)[O-])cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6146661
29434,COC1CCN(CCN2CCN(c3ccccc3Oc3cnc4nc(O)ccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7796608
29435,COCCOc1ccc(OC)c(CNc2ccccc2CCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.093055405
29436,CON1CCN(CCNC(=O)c2ccc(-c3cccc(C)c3C)c([N+](=O)[O-])c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.23265134
29437,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7287798
29438,COc1ccc(C(=O)NC2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78825843
29439,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1COc1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33579206
29440,COc1ccc(OCCC(C)=O)cc1N1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25146386
29441,COc1ccc(OCCCCOc2ccc3c(c2)NC(=O)CC3)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.28317294
29442,COc1ccc(OCCN2CCN(Cc3cccc4ccccc34)CC2)cc1C(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.40105066
29443,COc1ccc(OCCN2CCN(Cc3cccc4ccccc34)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5771626
29444,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(c2cc(C)ccc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.17364809
29445,COc1ccc(OCCNS(=O)(=O)c2ccc(F)cc2)cc1CN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.11150233
29446,COc1ccc(OCCc2cccs2)cc1NC(=O)c1cccc(NS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.020062013
29447,COc1cccc(-c2cc(C(=O)NCCN3CCN([O-])CC3)ccc2C)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2582739
29448,COc1cccc(C2CCN(CCN3CCN(c4ccccc4C(C)C)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8077987
29449,COc1cccc(CN2CCN(CCCC=Cc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7047255
29450,COc1cccc(CN2CCN(CCCCc3cc4cc(OC)ccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72792995
29451,COc1cccc(CN2CCN(CCCc3ccccc3NC(=O)c3ccco3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.21693893
29452,COc1cccc2c1CN1CCc3cc(OS(C)(=O)=O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72464824
29453,COc1ccccc1N1CCN(CCN2CCC(NC(=O)OCc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8309902
29454,COc1ccccc1N1CCN(CCN2CCC(c3cccc(C(=O)c4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84040654
29455,C[N+]([O-])c1ccccc1N1CCN(CCN2CCC(n3c(O)nc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.58386576
29456,Cc1cc(OCCN=S(C)(=O)O)ccc1OCCC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.26381755
29457,Cc1cc(OCCOS(C)(=O)=O)ccc1ONCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.060603634
29458,Cc1ccc(C(=O)NCCN2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.6005639
29459,O=C(NCCCCN1CCN(Cc2cccc(O)c2)CC1)c1cc2ccccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.674646
29460,O=C1CCC(c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)N1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5781376
29461,ON=Cc1cccc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.618028
29462,Oc1cccc2c1CN1CCc3cc(OCc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77323085
29463,C=S(O)(O)=NOc1ccc(OCCN2CCC(Cc3ccc4ccccc4c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5674403
29464,CC(C)c1ccccc1N1CCN(CCN2CCC(n3ccc(-c4ccc(F)cc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69882286
29465,CCC(=O)NCc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3834806
29466,CCCOc1ccc(OC)c(CNC(=O)c2ccc(S(N)(=O)=O)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.016523728
29467,CCCOc1ccc(ONC(=O)COc2ccccc2NC)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.009238752
29468,CCCOc1ccc(ONC(=O)Cc2ccc3c(c2)N(C)C(=O)CC3)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.099705145
29469,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCN(c3ccccc3OCC)C(=O)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22223799
29470,CCCOc1ccc(OOS(C)(=O)=O)c(C(C)COc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06724132
29471,CCCOc1ccc(OS(C)(=O)=O)c(-c2ccc(C3CCNCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18852131
29472,CCCOc1ccc(OS(C)(=O)=O)c(OC2=CC=CC3CCCCC3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17042793
29473,CCCOc1ccc(OS(C)(=O)=O)c(OC2CCc3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4263341
29474,CCCOc1ccc(OS(N)(=O)=O)c(CCc2ccc(OC3CCNCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26496497
29475,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(c3ccc(CC4CCCC(=O)N4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30356666
29476,CCCOc1ccc(OSC)c(N2CCCCC2c2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3956207
29477,CCCOc1ccc(OSC)c(OC2CCN(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.43391693
29478,CCOC(N=O)c1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6726896
29479,COC(=O)C1CCN(CCN2CCN(c3ccccc3C(O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65398616
29480,COCCCN1CCN(Cc2cccc(-c3cccc(=O)n3-c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57922083
29481,COCCCN1CCN(Cc2cccc(N=Cc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5652244
29482,COCCOc1ccc(OC)c(CC(F)c2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11529501
29483,COOc1ccc(OCCCCCc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.10307084
29484,COOc1ccc(OCCNC(=O)c2ccccc2OC)cc1CCCN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.27351463
29485,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccc2ccccc2c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3285354
29486,COc1cc2c(cc1O)CCN1Cc3c(cccc3C3CCC(NOCc4ccccc4)CC3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53519034
29487,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3ccc(C(F)(F)F)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6821613
29488,COc1cc2c(cc1OC)C1Cc3cccc(C(O)C=Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69507146
29489,COc1cc2c(cc1OC)CC(CNCCOc1ccc(OC)c(OS(C)(=O)=O)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.31381533
29490,COc1ccc(COc2cccc3c2CN2CCc4cc(Cc5ccccc5)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66353965
29491,COc1ccc(OCCC(=O)CCc2ccc3c(c2)NC(=O)CC3)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.17734167
29492,COc1ccc(OCCC2(F)CCC(Cc3ccc4c(c3)CCC(=O)N4)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.21699059
29493,COc1ccc(OCCN2CCC(COc3ccc4c(c3)NC(=O)CC4)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.59201497
29494,COc1ccc(OCCN2CCC(NC(=O)c3ccccc3F)C2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.5661369
29495,COc1ccc(OCCN=S(C)(=O)O)cc1SCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06535789
29496,COc1ccc(OCCS(C)(=O)=O)cc1CCCc1ccccc1OC1CCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.23993137
29497,COc1ccc(OCCS(C)(=O)=O)cc1CCSc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.05962327
29498,COc1ccc2ccc(CC3CCN(CCOc4ccc(OSC)c(C)c4)CC3)cc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.47846264
29499,COc1cccc(-c2cc(C(=O)NCCN3CCN(OC)CC3)ccc2F)c1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.34679508
29500,Cc1cc(OCCN2CCC(Cc3ccccc3F)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.58038634
29501,Cc1cc(OCCNCC2CCc3ccc(N=S(C)(=O)O)cc3C2)ccc1OOS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.2276873
29502,Cc1cc(OCCOC2CCCCC2)ccc1OCN1CCN(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.43648374
29503,Cc1cc(OCCSCc2ccc(CC(F)(F)F)cn2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.0487712
29504,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(Br)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6804387
29505,O=C(Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)Nc1c(F)cccc1F,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4345696
29506,O=NC(CCCN1CCN(Cc2cccc(Cl)c2)CC1)C1(c2ccccc2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64927787
29507,O=[N+]([O-])c1cc2c(cc1F)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49428785
29508,O=c1ncc(F)cn1Cc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7409566
29509,Oc1ccccc1N1CCN(CCN2CCC(n3c(O)nc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70125306
29510,CC(O)c1ccccc1N1CCN(CCN2CCC(Oc3ccc(Br)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.60011643
29511,CCCC1CCC(c2cc(CCOc3ccc(OC)c(S(C)(=O)=O)c3)on2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.15594071
29512,CCCOc1ccc(ONCCc2ccccc2OC2CCNC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.310081
29513,CCCOc1ccc(ONS(C)(=O)=O)c(NC(=O)COc2ccc3c(c2)NCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07639208
29514,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(COc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28912553
29515,CCOCCCN1CCN(Cc2cccc(-c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6152619
29516,CCOc1ccc(C2CCCN(c3cc(OCCS(C)(=O)=O)ccc3OC)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.26239944
29517,CCOc1ccccc1N1CCN(CCN2CCC(Oc3cccc4ccc(O)nc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76414126
29518,CN(C)c1cccc2cc(-c3cc4c(cc3Cl)C3Cc5cccc(O)c5CN3CC4)ccc12,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6645323
29519,CN1CCN(CCNC(=O)c2ccc(O)c(Cc3ccccc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33367002
29520,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(C)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64936393
29521,COCCCN1CCN(Cc2cccc(-c3cccc(OC)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5732247
29522,COCCCN1CCN(Cc2cccc(C3=CC(=O)C(=O)O3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58547986
29523,COCCOc1ccc(OC)c(-c2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14405318
29524,COCCOc1ccc(OC)c(CCCc2ccc(C)c3cc(F)ccc23)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13836396
29525,CON1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(-c3ccc(O)o3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.17194527
29526,COc1cc2c(cc1-c1cccc(C(C)C)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52759826
29527,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)OCc4ccc(C(C)O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46750396
29528,COc1cc2c(cc1OC)C1Cc3cccc(CF)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.879986
29529,COc1cc2c(cc1SC)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7296496
29530,COc1ccc(Br)cc1-c1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80808
29531,COc1ccc(OCCC(=O)NS(C)(=O)=O)cc1N1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.12368967
29532,COc1ccc(OCCCCCc2cccs2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.11075554
29533,COc1ccc(OCCN(C)C)cc1CNc1ccccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.16635916
29534,COc1ccc(OCCN2CCC(Oc3ccccc3)CC2)cc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.71527606
29535,COc1ccc(OCCN2CCC(S(=O)(=O)c3ccccc3C=O)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.6431121
29536,COc1ccc(OCCN2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.20108412
29537,COc1ccc(OCCNC(=O)c2ccc(Cl)c(Cl)c2)cc1N1CCCC(NS(C)(=O)=O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.18941714
29538,COc1ccc(OCCOS(C)(=O)=O)cc1CC(C)Cc1ccc2c(c1)CCC(=O)N2,[*]CCOc1ccc(O[*])c([*])c1,0.21401876
29539,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Oc2ccc(C3CCC(=O)NC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3079558
29540,COc1cccc(Oc2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1NC(=O)N=O,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3919408
29541,COc1cccc2c1CN1CCc3cc(C(=O)NCc4c(Cl)cccc4Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4511304
29542,COc1cccc2c1CN1CCc3cc(C(O)c4cccc(C#N)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65457344
29543,COc1ccccc1-c1cc(C(=O)NCCN2CCN(OC(C)=O)CC2)ccc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.38390064
29544,Cc1cc(C(=O)NCCN2CCN(c3ccccc3[N+](=O)[O-])CC2)ccc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.59995663
29545,Cc1cc(OCCCNCc2ccccc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.20169145
29546,Cc1cc(OCCCNS(=O)(=O)c2cc(Cl)ccc2F)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.080086656
29547,Cc1cc(OCCCOc2ccc(C(C)C)cc2)ccc1OCN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.20188017
29548,Cc1cc(OCCN2CCN(c3ccccc3O[SH](C)(C)=O)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.7102787
29549,Cc1cc(OCCc2ccc(F)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.06634242
29550,Cc1ccc(OC2CCN(Oc3ccc(OCCOS(C)(=N)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.2029258
29551,ClCCCN1CCN(Cc2cccc(-c3cc(-c4cccs4)ccn3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6848769
29552,O=C(NCc1ccccc1F)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48367774
29553,O=C(c1cccc(CN2CCN(CCCF)CC2)c1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6708141
29554,O=CNOc1ccc(OCCc2ccc(F)cc2)cc1CN1CCCC(CCc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.35693446
29555,O=S(=O)(O)c1ccccc1-c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5891396
29556,O=[N+]([O-])c1ccccc1N1CCN(CCN2CCC(c3nc4ccccc4cc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5920348
29557,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3ccncc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8906461
29558,CCCOc1ccc(OCCCc2ccccc2)c(C(=O)N(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07140394
29559,CCCOc1ccc(OCCN2CCN(c3ccccc3OC)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8643978
29560,CCCOc1ccc(OCN2CCN(c3ccccn3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6001966
29561,CCCOc1ccc(OF)c(CNCC2CCc3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.41639864
29562,CCCOc1ccc(ON2CCN(c3ccccc3OC)CC2)c(OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3177989
29563,CCCOc1ccc(ONC)c(CN2CCN(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08071342
29564,CCCOc1ccc(OS(C)(=O)=O)c(-c2cc(OC)ccc2CCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.058507968
29565,CNSOc1ccc(OCCOC2CCc3ccc(OC)cc3C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.4089727
29566,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(OC(F)(F)F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78186774
29567,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3cccc(C#Cc4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.49654987
29568,COCCCN1CCN(Cc2cccc(-c3cccc(O)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5507579
29569,COCCCN1CCN(Cc2cccc(C3SCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6881796
29570,COCCOc1ccc(OC)c(N2CCN(c3cc(F)ccc3F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37550938
29571,COOc1ccc(OCCN2CCN(c3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.7317574
29572,COOc1ccc(OCCc2ccc(F)cc2)cc1CN1CCN(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.77676725
29573,COc1cc2c(cc1-c1cccc([N+](=O)OC)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5357089
29574,COc1cc2c(cc1C(=O)NOCc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41024464
29575,COc1cc2c(cc1OC)C1Cc3cccc(-c4cccc(OCC(F)(F)F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49610913
29576,COc1cc2c(cc1OC)C1Cc3cccc(-c4cccc5c(OC)cccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6485637
29577,COc1cc2c(cc1OC)C1Cc3cccc(Oc4cccc(OC)c4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7846564
29578,COc1cc2c(cc1[O-])CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77584374
29579,COc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1ccccc1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3316475
29580,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1cccc2c1OCO2,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2854297
29581,COc1ccc(OCCC(F)(F)F)cc1SN(C)CCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.24876373
29582,COc1ccc(OCCCF)cc1N1CCN(CC(=O)c2ccc(SC)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2638205
29583,COc1ccc(OCCN2CCC(OC3=CC=C4C=CC(CCCCC3)C4)CC2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4820039
29584,COc1ccc(OCCN2CCC(c3cc(CC(F)(F)F)on3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5173524
29585,COc1ccc(OCCN=S(=O)(O)O)cc1N1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.16980286
29586,COc1ccc(OCCNC(=O)c2ccc(C(C)C)cc2)cc1C(=O)NC1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.052697226
29587,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.40117085
29588,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC1COc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.34378684
29589,COc1ccc(OCCc2ccc(CC(C)C)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.072223604
29590,COc1ccc(OCCc2cn(C(C)=O)c3ccccc23)cc1N1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20418249
29591,COc1ccc2c(c1)CC(NCCOc1ccc(OOS(C)(=O)=O)c(C)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.41443577
29592,COc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccccc4)nc(O)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73027354
29593,COc1ccccc1N1CCN(CCNC(=O)c2ccc(OS(C)(=O)=O)c(C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.8484255
29594,CS(=O)(O)=NCCOc1ccc(OF)c(CN2CCC(Oc3ccc(CC4CCCCC4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24002926
29595,CSOc1ccc(OCCNS(=O)(=O)Cc2ccc(C(C)=O)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.021802137
29596,CSc1cccc(CN2CCN(CCCCc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.77752036
29597,Cc1cc(OCCN2CCN(c3cccc(OCC(F)(F)F)c3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6082231
29598,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CC=C(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1873183
29599,Cc1cc(OCCNS(=O)(=O)c2ccc(F)cc2)ccc1ON1CCC(O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.16213267
29600,Cc1cc(OCCOS(C)(=O)=O)ccc1ON1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24126917
29601,Cc1cc2c(cc1NC(=O)Cc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.2372298
29602,Cn1cc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)nc1O,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8094439
29603,FC(F)(F)Oc1cccc(CN2CCN(CCCN3CCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68580633
29604,O=[N+]([O-])c1cccc(-c2cccc3c2CN2CCc4cc(Cl)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3918778
29605,Oc1cc2c(cc1O)C1Cc3cccc(C4CC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71582
29606,Oc1cccc2c1CN1CCc3cc(NCc4cccc(Cl)c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52867365
29607,CC(C)C1CCN(CCN2CCN(c3ccccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7586649
29608,CCCOc1ccc(OCN2CCN(c3cccc(C(F)(F)F)n3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5214026
29609,CCCOc1ccc(ON2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c(NC(=O)OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16263959
29610,CCCOc1ccc(ON=S(C)(=O)O)c(NC(=O)COc2ccc(C3CCCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.017986264
29611,CCCOc1ccc(ONC2CCN(Cc3ccccc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.53441185
29612,CCOC(=O)C1CCCN1CCOc1ccc(OC)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16657856
29613,CCON=Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68987
29614,CCOc1ccc(CC2CCCN(c3cc(OCCN=S(C)(=O)O)ccc3OC)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.1402821
29615,CN1CCN(CCNC(=O)c2ccc(Cl)c(-c3ccc([N+](=O)[O-])cc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.16706355
29616,CNC(=O)COc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34439418
29617,COC1CCN(CCN2CCN(c3ccccc3N3C(O)=Nc4ccc3cc4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64569616
29618,COCCCN1CCN(Cc2cccc(C(=O)N3Cc4ccccc4C3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5275471
29619,COCCOc1ccc(OC)c(CC2CCc3ccccc3CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.41116497
29620,COCCOc1ccc(OCNC(=O)c2ccc(F)cc2)c(CCNc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.030728087
29621,COCCOc1ccc(OCc2ccc(F)cc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.095912844
29622,COCCOc1ccc(ON2CCCN(c3ccccc3Cl)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31506774
29623,COS(N)(=O)=NOc1ccc(OCCNS(=O)(=O)c2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.020129403
29624,COc1cc2c(cc1C#Cc1ccccc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6316034
29625,COc1cc2c(cc1N(C)C)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8104194
29626,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc5c(N(C)C)cccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67814785
29627,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccc([N+](=O)F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6434667
29628,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccncc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7077823
29629,COc1cc2c(cc1O)CCN1Cc3c(cccc3OC(=O)OCc3ccc(C)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4443215
29630,COc1cc2c(cc1Oc1c(OC)cccc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7217492
29631,COc1ccc(CC2CCCN(c3cc(OCCS(C)(=O)=O)ccc3OC)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.23471299
29632,COc1ccc(OCCF)cc1CN1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.61423856
29633,COc1ccc(OCCN)cc1N1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4264173
29634,COc1ccc(OCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)cc1O,[*]CCOc1ccc(O[*])c([*])c1,0.91370976
29635,COc1ccc2ccc(CC3CCN(CCOc4ccc(OC)c(SC)c4)CC3)cc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.49911284
29636,COc1ccc2oc(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)cc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67896473
29637,COc1cccc2c1CN1CCc3cc(-c4ccc(NC(C)=O)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3277658
29638,COc1cccc2c1CN1CCc3cc(O)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77457064
29639,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9127032
29640,COc1ccccc1N1CCN(COc2ccc(OCCSC)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.68264985
29641,COc1ccccc1NC(=O)c1cc2c(cc1C)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.23132445
29642,CS(=O)(=O)c1ccccc1N1CCN(CCN2CCC(n3cnc4ccccc4c3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7508704
29643,CSOc1ccc(OCCNCc2ccc(OC3CCNC3)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.20936531
29644,Cc1cc(OCCCCOc2ccc3c(c2)NC(=O)CC3)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.230903
29645,Cc1cc(OCCN2CCC(CCc3ccccc3)CC2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.5975676
29646,Cc1cc(OCCN2CCC(Oc3ccc(CCCF)cc3)CC2)ccc1OOS,[*]CCOc1ccc(O[*])c([*])c1,0.59055334
29647,Cc1cc(OCCN=S(C)(=O)O)ccc1OC=CCOc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.053152774
29648,Cc1cc(OCCN=S(C)(=O)O)ccc1ONCc1ccc(OC2CCCCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.0699837
29649,Cc1cc(OCCNC(=O)Cc2cccs2)ccc1ON1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.039892185
29650,FCCOc1cccc(CN2CCN(CCCc3cccc4ccccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6303201
29651,N#Cc1ccc(C(=O)c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5135883
29652,N#Cc1ccccc1N1CCN(CCN2CCC(n3c(O)nc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7661195
29653,O=C(NCc1ccccc1)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4417703
29654,O=C(Nc1cccc(CN2CCN(CCCCl)CC2)c1)c1cccc(-c2cccs2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3304587
29655,O=C(c1ccc2nccnc2c1)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65793264
29656,c1ccc(CCCN2CCN(Cc3cccc(-c4cccc(-c5ccccc5)c4)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72786206
29657,CC(=O)N(c1ccccc1)C1CCN(CCN2CCN(c3ccccc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65443546
29658,CC(=O)NCCOc1ccc(OCN2CCC(Cc3ccc4ccccc4n3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2697497
29659,CC=[SH]1(O)C=C(C(=O)O)CCN1c1cc(OCCC(O)CCc2ccccc2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.13387801
29660,CCCCN1CCN(Cc2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.35336322
29661,CCCOc1ccc(OC(C)N=S(C)(=O)O)c(N2CCC(c3ccc(SC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20808364
29662,CCCOc1ccc(ON2CCCN(c3ccc(Cl)cc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35112268
29663,CCCOc1ccc(OS(C)(=O)=O)c(Oc2ccccc2CCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20326228
29664,CCNc1cc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)ccc1Cl,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58013076
29665,CCOC(=O)N1CCN(CCNC(=O)c2ccc(OC)c(OC)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.12013795
29666,CCOc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccc4)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.86321676
29667,CNC(=O)Cc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.380396
29668,CNCCOc1ccc(OC)c(CCOCC2CCCC2NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17047007
29669,CNS(=O)(=O)c1cccc(-c2cccc(CN3CCN(CCCOC)CC3)c2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4892439
29670,COC1CCN(CCN2CCN(c3ccccc3-n3cc(-c4ccccc4)c4cc(O)ccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69026166
29671,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccc4cc(O)ccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.48732013
29672,COCCCN1CCN(Cc2cccc(N3C(=O)C(=O)c4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61382294
29673,COOc1ccc(OCCOC2CCN(Cc3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.56713825
29674,COc1cc(C)cc(-c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6778588
29675,COc1cc2c(cc1C(C)(C)C)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6115308
29676,COc1cc2c(cc1O)CCN1Cc3c(Cc4cccc(O)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7386301
29677,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccccc3OC3CCCNC3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58009744
29678,COc1cc2c(cc1Oc1ccccc1)CCN1Cc3c(C#N)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7940773
29679,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.21826273
29680,COc1ccc(C(=O)NCCN2CCN([N+](=O)[O-])CC2)cc1-c1ccccc1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27861154
29681,COc1ccc(OCCN2CCC(Oc3ccc(F)cc3)CC2)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.65377504
29682,COc1ccc(OCCN2CCN(c3cccc(CC(F)F)c3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.66179794
29683,COc1ccc(OCCN2CCN(c3ccccc3OC(C)C)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.92441744
29684,COc1ccc(OCCNCCc2cccc3ccccc23)cc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.27530834
29685,COc1cccc(-c2cc3c(cc2OC)C2Cc4cccc(-c5ccccc5)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6162299
29686,COc1cccc(CN2CCN(CCCC(=O)N3c4ccccc4CC3C)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69104666
29687,COc1cccc(CN2CCN(CCCCNc3nccs3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61593825
29688,COc1cccc(CN2CCN(CCCNC(=O)OC(C)(C)C)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.36721712
29689,COc1cccc2c1CN1CCc3cc(CNC(=O)c4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4626869
29690,COc1cccc2c1CN1CCc3cc(NC(C)Nc4ccccc4Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48574024
29691,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(OC)CC2)cc1[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35907456
29692,COc1ccccc1N1CCN(CCN2CCC(C3CCc4cc(Oc5ccccc5)ccc4C3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8138225
29693,CSCc1ccc(OC2CCN(CCOc3ccc(OSC)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.4931175
29694,CSc1ccc(CCN2CCN(Oc3ccc(OCCF)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.44877154
29695,Cc1cc(OCCN2CCC(Oc3ccc4c(c3)NC(=O)CCC4)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.620483
29696,Cc1cc(OCCN2CCC(S(=O)(=O)c3ccc(F)c(F)c3)CC2)ccc1ON1CCNC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.50812167
29697,Cc1cc(OCCN2CCCC(Cc3ccc(OC4CCCC4=O)cc3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.31731153
29698,Cc1cc2c(cc1C(=O)Nc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.27267796
29699,Cc1cc2c(cc1N1CCCC1=O)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41198823
29700,Fc1cccc(CN2CCN(CCCCNc3ncco3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61616087
29701,O=C(c1ccc2[nH]ccc2c1)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4692339
29702,O=c1c2ccccc2ccn1-c1cccc(CN2CCN(CCCOC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60940135
29703,Oc1cc2c(cc1C=[N+](O)Cc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7051853
29704,Oc1cccc2c1CN1CCc3cc(C=[N+](O)c4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63545656
29705,C=Cc1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72268903
29706,CC(C)(C)c1cc2c(cc1-c1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66140586
29707,CCC(=O)Nc1cccc2c1CN1CCc3cc(-c4ccccc4)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.18814726
29708,CCCN(Oc1ccc(OCCOC)cc1C)C1CCc2c(cccc2OC)C1,[*]CCOc1ccc(O[*])c([*])c1,0.67746985
29709,CCCOc1ccc(OCC(=O)Nc2ccc(F)cc2)c(CNCc2ccc(OC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.002668902
29710,CCCOc1ccc(OCN2CCN(C[SH]=O)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2154903
29711,CCCOc1ccc(ON)c(N2CCC(Nc3cccc(Cl)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35398546
29712,CCCOc1ccc(ON)c(N2CCN(CC(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35504612
29713,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)c2ccc3ccc(OCC4CCCNC4)cc3c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04472675
29714,CCCOc1ccc(OS(C)(=O)=O)c(NC2CCC(Oc3ccc(SC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1430925
29715,CCCOc1ccc(OSC)c(NCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.081055686
29716,CCOC1CCN(CCN2CCN(c3ccccc3-c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7942555
29717,CCONCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64239395
29718,CCOc1ccccc1Oc1ccc(OCCCF)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.06477354
29719,COC(=O)Cc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42746153
29720,COC(=O)NCc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.522233
29721,COC(=O)c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.21263944
29722,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccco3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6253975
29723,COC1CCN(CCN2CCN(c3ccccc3C3Cc4ccc(F)cc4C3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76463604
29724,COCCOc1ccc(ONCCc2ccco2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0537471
29725,COOc1ccc(OCCCOc2ccc(F)cc2)cc1CCNc1ccccn1,[*]CCOc1ccc(O[*])c([*])c1,0.13244043
29726,COOc1ccc(OCCOCCF)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8194104
29727,COOc1ccc(OCCc2ccc(F)cc2)cc1N1CCCC(CCCc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.3522741
29728,COc1cc2c(cc1COCc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77903354
29729,COc1cc2c(cc1O)C1Cc3cccc(C(=O)NOCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48884267
29730,COc1cc2c(cc1O)C1Cc3cccc([N+](=O)C(C)(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71619624
29731,COc1cc2c(cc1O)CCN1Cc3c(COc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7901539
29732,COc1cc2c(cc1OC)C1Cc3cccc(OCc4cccc(F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67756027
29733,COc1ccc(C(=O)NCCN2CCN(Cc3ccccc3)CC2)cc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3863708
29734,COc1ccc(OCCC(C)C)cc1N1CCCC(Oc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.32983667
29735,COc1ccc(OCCC(N)=O)cc1N1CCC(CCc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23485908
29736,COc1ccc(OCCF)cc1CN(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07085407
29737,COc1ccc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1C(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6645798
29738,COc1ccc(OCCN2CCC(Oc3ccc(CC(F)(F)F)cc3)CC2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5184794
29739,COc1ccc(OCCN2CCC(S(=O)(=O)c3ccccc3F)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.63182527
29740,COc1ccc(OCCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.7740289
29741,COc1ccc(OCCN=S(C)(=O)O)cc1C1CCC(=O)Nc2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.12959349
29742,COc1ccc(OCCOCCF)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.81956905
29743,COc1ccc(OCCSC)cc1CN1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6156004
29744,COc1ccc(OCC[SH](C)(C)=O)cc1CN1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.47084185
29745,COc1cccc(CN2CCN(CCCC3CCc4ccccc4O3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.71838975
29746,COc1cccc2c1CN1CCc3cc(C(=O)Nc4ccc(C#N)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3626185
29747,COc1cccc2c1CN1CCc3cc(C=[N+](C)c4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5691992
29748,COc1cccc2c1CN1CCc3cc(OCc4cccc([N+](=O)[O-])c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4267682
29749,COc1ccccc1N1CCN(CCCOc2ccc(OOCCc3ccccc3)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8750375
29750,Clc1ccccc1N1CCN(CCN2CCC(Oc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8107755
29751,O=C(NCCCCN1CCN(Cc2cccc(Cl)c2)CC1)c1cccs1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6700233
29752,O=S1(=O)Cc2ccccc2N1CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70347613
29753,O=[N+](O)Cc1c[nH]c(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54862946
29754,Oc1cc2c(cc1-c1ccccc1OC(F)(F)F)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59919125
29755,Oc1cc2c(cc1O)C1Cc3cccc(C4CCN(OCc5ccccc5)CC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6750344
29756,Oc1nc2cc(Oc3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)ccc2o1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7468162
29757,CC(=O)NC(=O)CN1CCN(Oc2ccc(OCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.09313099
29758,CC(=O)Nc1cc2c(cc1O)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39177802
29759,CCCOc1ccc(OC)c(CNC(=O)CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33652002
29760,CCCOc1ccc(OC)c(CNCc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18280666
29761,CCCOc1ccc(OCCOc2cccc(F)c2)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8204841
29762,CCCOc1ccc(OCN2CCC(c3cccc(OC)c3)CC2)c(C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5497635
29763,CCCOc1ccc(OCl)c(C(C)Cc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.122709766
29764,CCCOc1ccc(OF)c(N2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19680263
29765,CCCOc1ccc(OOC)c(CNC(=O)c2ccc3ccccc(=O)c3c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.043274898
29766,CCCOc1ccc(OOC)c(N2CCCN(c3ccccc3OC(C)C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38352856
29767,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(Cc3ccc4c(c3)CCC(=O)C4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35281637
29768,CCCOc1ccc(OSC)c(N2CCC(C(=O)c3ccc(F)cc3)C2CF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20189245
29769,COC1CCN(CCN2CCN(c3ccccc3OCc3ccc(C#N)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87178445
29770,COC1CCN(CCN2CCN(c3ccccc3S(=O)(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6466807
29771,COCCCN1CCN(Cc2cccc(-c3cccs3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5741979
29772,COCCCN1CCN(Cc2cccc(Cc3cc4cccc(OC)c4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5939333
29773,COCc1cccc2c1CN1CCc3cc(C#N)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74965304
29774,COOc1ccc(OCCCN2CCC(Cc3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6112622
29775,COc1cc2c(cc1O)C1Cc3cccc(-c4c(CN(C)C)cccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6455452
29776,COc1cc2c(cc1O)CCN1Cc3c(COc4ccc(C)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6843754
29777,COc1cc2c(cc1O)CCN1Cc3c(Cc4cccc(N(C)C)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72422755
29778,COc1cc2c(cc1OC)C1Cc3cccc(OCc4ccc([N+](F)(F)F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6689758
29779,COc1cc2c(cc1OCc1cccnc1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61550546
29780,COc1ccc(COc2cc3c(cc2O)CCN2Cc4c(cccc4OC)CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6823115
29781,COc1ccc(OCCCS(=O)(=O)c2ccc(F)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09002925
29782,COc1ccc(OCCNS(C)(=O)=O)cc1N1C(=O)CCC1COc1ccc2c(c1)CCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.22431701
29783,COc1ccc(OCCS(C)(=O)=O)cc1CNC(=O)COc1ccc(C(F)(F)F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.013900744
29784,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Oc2ccc(CF)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25159624
29785,COc1ccc(OCCc2ccc(C(C)=O)cc2)cc1CN1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28375095
29786,COc1cccc(CN2CCN(CCCN(C)C3CCc4ccccc4C3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7401633
29787,COc1cccc(CN2CCN(CCC[N+](=O)c3cccs3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5058354
29788,COc1cccc2c1CN1CCc3cc(C=NOCC(F)(F)F)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64895505
29789,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc4cccc(OC)c4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7692529
29790,COc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccccc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8656278
29791,COc1ccccc1N1CCN(CCN2CCC(c3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8781025
29792,COc1ccccc1N1CCN(CCN2CCC(n3cnc(-c4ccccc4O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76224846
29793,COc1ccccc1N1CCN(CCOc2ccc(OOCCF)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.76615644
29794,CSOc1ccc(OCCN2CCCC(O)(Cc3ccc(F)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.35874733
29795,CSOc1ccc(OCCNC(=O)c2cccc(C3CCCN(C)C3)c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.18980283
29796,CSOc1ccc(OCCNCc2ccc(C(C)=O)cc2)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06632543
29797,CSOc1ccc(OCCNCc2ccc(OC3CCNCC3)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.2235419
29798,Cc1cc(O)n(C2CCN(CCN3CCN(c4ccccc4C#N)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72504234
29799,Cc1cc(OCCNS(=O)(=O)Cc2ccccc2)ccc1OC1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.19322525
29800,Cc1cc(OCCNS(=O)(=O)c2cccc(F)c2)ccc1OOC(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.081316926
29801,Cc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68560123
29802,ClC1CCN(CCN2CCN(c3ccccc3-n3ccc(Br)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74695885
29803,Clc1ccccc1N1CCN(CCN2CCC(Cc3cc4ccccc4o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7180301
29804,FC(F)(F)c1ccccc1N1CCN(CCN2CCC(c3nc(-c4ccccc4)ns3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7865502
29805,O=C(Cc1cccc(CN2CCN(CCCCl)CC2)c1)NCc1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.35409263
29806,O=C(c1cccc(CN2CCN(CCCF)CC2)c1)c1cc2ccccc2oc1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6311502
29807,O=S1(=O)c2ccccc2S(=O)(=O)N1Cc1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69971806
29808,O=c1ccc2ccc(-c3cccc(CN4CCN(CCCCl)CC4)c3)cc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6682357
29809,Oc1cc2c(cc1-c1ccc(Br)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7563479
29810,CC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.667436
29811,CCCN1CCC(Oc2ccc(OCCNS(C)(=O)=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5223445
29812,CCCOc1ccc(OCCCc2ccccc2)c(C(=O)OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.055068236
29813,CCCOc1ccc(OCCc2ccccc2F)c(C(=O)Nc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.027399221
29814,CCCOc1ccc(OCl)c(CNCc2cccs2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14627382
29815,CCCOc1ccc(ON=S(C)(=O)O)c(NC(=O)COc2ccc(C(F)(F)F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.009035455
29816,CCCOc1ccc(ONC(C)=O)c(N2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19645229
29817,CCCOc1ccc(OS(C)(=O)=O)c(NC2CCC(Oc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20507737
29818,CCCOc1ccc(OS(N)(=O)=O)c(-c2ccccc2OCC(F)(F)F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12575631
29819,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(c3ccc(OC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2949342
29820,CCCOc1ccc(Oc2cccc(OCC(F)(F)F)c2)c(NC(=O)C2CCCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.046164706
29821,CCOc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7572288
29822,CCOc1ccccc1N1CCN(CCN2CCC(c3ccncc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8770021
29823,CCOc1ccccc1OCCCOc1ccc(ON2CCN(C)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37673956
29824,CNC(=O)c1cccc(CN2CCN(CCCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4852239
29825,COC(=O)C1CCCN(Cc2cc(OCCCc3ccc(F)cc3)ccc2OC)C1,[*]CCOc1ccc(O[*])c([*])c1,0.22866626
29826,COC(=O)Nc1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32343757
29827,COC1CCN(CCN2CCN(c3ccccc3-c3cc4ccccc4nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72530025
29828,COC1CCN(CCN2CCN(c3ccccc3-c3ncc(O)n3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6754207
29829,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3cccc(O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79130167
29830,COC1CCN(CCN2CCN(c3ccccc3S(=O)(=O)c3cccc(C)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6782229
29831,COC=Cc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.857991
29832,COCCCN1CCN(Cc2cccc(-c3ccc([N+](=O)[O-])cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.33615437
29833,COCCCN1CCN(Cc2cccc(CNC(=O)c3cccc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3992886
29834,COCCOc1ccc(OC)c(NCC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.023640832
29835,COc1cc(F)cc(-c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72722304
29836,COc1cc2c(cc1C(=O)c1cccc(C#N)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51443964
29837,COc1cc2c(cc1O)C1Cc3cccc(-c4ccccc4C=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6217522
29838,COc1cc2c(cc1O)CCN1Cc3c(Cc4cccc(C#N)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63654953
29839,COc1cc2c(cc1OC)C1Cc3cccc(C#Cc4cccc(CO)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6649099
29840,COc1cc2c(cc1OC)C1Cc3cccc(CCc4ccc(N(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8307718
29841,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.24642962
29842,COc1ccc(OCCN2CCC(C(=O)c3ccccc3C(C)C)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.52602345
29843,COc1ccc(OCCN2CCNC2=O)cc1S(=O)(=O)c1ccc(C(C)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.073668204
29844,COc1ccc(OCCS(C)(=O)=O)cc1NCC1CCC(=O)c2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.20781031
29845,COc1cccc(C(=O)NCc2ccccc2N2CCN(CCN3CCC(C(C)C)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75997
29846,COc1cccc2c1CN1CCc3cc(OC(F)(F)c4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7071331
29847,COc1ccccc1C1CCN(CCOc2ccc(OOS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.67138463
29848,COc1ccccc1N1CCN(CCN2CCC(Oc3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.89156014
29849,COc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccc(F)cc4)nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7743658
29850,COc1cccnc1C1CCN(CCN2CCN(c3ccccc3SC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.63995856
29851,CSOc1ccc(OCCNCCCC2Cc3ccc(OC4CCC(=O)N4)c(c3)CCCS2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.32412094
29852,Cc1cc(OCCN2CCC(Cc3ccc(Cl)cc3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.62384605
29853,Cc1cc(OCCN2CCC(Oc3ccc(CC4CCCCC4)cc3)C2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3644758
29854,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(C(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.13389029
29855,Cc1cc(OCCSCCCc2ccc3c(c2)CC(=O)CC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.15301035
29856,Cc1ccc(C(=O)NCCN2CCN(Cl)CC2)cc1-c1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31696078
29857,FCCCN1CCN(Cc2cccc(-c3ccc4c(c3)OCO4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58928895
29858,Fc1cccc(CN2CCN(CCCOc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66276866
29859,Oc1cc2ccccc2n1-c1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65437305
29860,CC(=O)NOc1ccc(OCCCN2CCC(Cc3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5054562
29861,CC(=O)Oc1ccc(OCCN2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5540783
29862,CC1CCN(CCN2CCN(c3ccccc3COc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6651777
29863,CCCOc1ccc(OCN2CCC(c3ccccc3)CC2)c(C(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4230793
29864,CCCOc1ccc(OCN2CCCN(c3ccccc3OC)CC2)c(NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4505132
29865,CCCOc1ccc(OF)c(N2CCN(CC(=O)NS(=O)(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1266297
29866,CCCOc1ccc(ON)c(CN2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5883153
29867,CCCOc1ccc(ON=S(C)(=O)O)c(OCC2CCCc3ccc(CC4CCCCC4)cc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28858694
29868,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(Cc3ccc(OC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2985102
29869,CCCOc1ccc(OOC)c(-c2ccc(OC)c(OCC)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08398551
29870,CCCOc1ccc(OOC)c(N2CCC(c3ccccc3OC3CC3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40463522
29871,CCCOc1ccc(OS(C)(=O)=O)c(-c2cccs2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0781521
29872,CCNC(=O)NCc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45099366
29873,CCc1ccccc1OC1CCN(CCOc2ccc(OSC)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.57598007
29874,COC(=O)NOc1ccc(OCCN2CCN(c3cccc(OCC(F)(F)F)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5633742
29875,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccc4ncccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.62529075
29876,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3ccnc4ccc(O)cc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65046364
29877,COCCCN1CCN(Cc2cccc(C(=O)N3CCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53247666
29878,CON1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(-c3ccccc3[O-])c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.34006363
29879,COSOc1ccc(OCCNC2CCC(O)(c3ccc(Cl)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.17341067
29880,COc1cc2c(cc1-c1cc(F)cc(F)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74560875
29881,COc1cc2c(cc1-c1cc3ccccc3[nH]1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7004879
29882,COc1cc2c(cc1Cc1ccc3ccccc3c1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52529013
29883,COc1cc2c(cc1O)CCN1Cc3c(CCc4cc(F)cc(F)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8410457
29884,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc4ccccc4c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71742016
29885,COc1ccc(COc2cc3c(cc2OC)CCN2Cc4c(Cc5ccc(OC)cc5)cccc4CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65199673
29886,COc1ccc(OCCC(C)=O)cc1N1CCC(CCc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24748997
29887,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1N1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.27039072
29888,COc1ccc(OCCS(=O)(=O)Cc2ccc(F)cc2)cc1CN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.17985687
29889,COc1cccc(CN2CCN(CCCCc3cc4cccc(OC)c4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7074924
29890,COc1cccc2c1CN1CCc3cc(CN(C)Cc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6986907
29891,COc1cccc2c1CN1CCc3cc(Cc4ccco4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6446686
29892,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84502554
29893,COc1ccccc1N1CCN(CCN2CCC(Oc3ccc4ncc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68581915
29894,CSC1CCN(CCN2CCN(c3ccccc3-n3c(O)nc4cc(F)ccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66952497
29895,Cc1cc(OCCN2CCC(C(=O)N3CCCCC3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.27224156
29896,Cc1cc(OCCN2CCC(Cc3ccc4ccccc4cc3=O)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5547289
29897,Cc1cc(OCCN2CCC(Cc3ccccc3)CC2)ccc1O[SH]=O,[*]CCOc1ccc(O[*])c([*])c1,0.50975335
29898,Cc1cc(OCCN2CCC(Cc3ccccc3OC3CCCCC3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5868517
29899,Cc1cc(OCCN2CCN(Cc3cccc(OC(C)C)c3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3408896
29900,Cc1cc(OCCN2CCN(c3ccc(OCC(F)(F)F)cc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.676467
29901,Cc1cc(OCCNS(C)(=O)=O)ccc1OC1CCCC(Cc2ccc3c(c2)NC(=O)CC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2678748
29902,Cc1ccccc1N1CCN(CCN2CCC(N(C(=O)c3ccc(F)cc3)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6268038
29903,Cc1ccccc1N1CCN(CCN2CCC(n3c(O)cc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.61249
29904,Fc1cccc(CN2CCN(CCCCNc3ccc4ccccc4n3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63705426
29905,Fc1cccc(CN2CCN(CCCc3ccc4ccccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6788483
29906,Nc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73022026
29907,O=C(Nc1cccc(CN2CCN(CCCF)CC2)c1)C1c2ccccc2-c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4357056
29908,O=CCc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69794554
29909,O=S(c1cccc(CN2CCN(CCCF)CC2)c1)c1cccs1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6831339
29910,OC=S(O)(O)=CCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65942335
29911,CC1(C(=O)NCCCCN2CCN(Cc3cccc(Cl)c3)CC2)CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4654688
29912,CCCOc1ccc(OC(=O)NS(C)(=O)=O)c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09731521
29913,CCCOc1ccc(ON(C)C)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8593026
29914,CCCOc1ccc(ON2CCC(c3ccccc3OCC)CC2)c(OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40721872
29915,CCCOc1ccc(OSC)c(CN2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.60891527
29916,CCCOc1ccc(O[SH](C)(=O)O)c(N2CCCC(CCc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2279989
29917,CCOc1ccccc1N1CCN(c2cc(OCCNC=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.32197347
29918,CN1C(=O)C(c2cccc(CN3CCN(CCCCl)CC3)c2)Cc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6673665
29919,COC1CCN(CCN2CCN(c3ccccc3-c3nccc(O)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7318191
29920,COC1CCN(CCN2CCN(c3ccccc3Oc3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.86039144
29921,COCCCN1CCN(Cc2cccc(-c3ccc4c(c3)C(=O)NCC4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6046111
29922,COCCCN1CCN(Cc2cccc(-c3ccccc3NC3CCCC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.38833457
29923,CON=S(C)(=O)Oc1ccc(OCCc2cc(OCCF)ccc2F)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.06582212
29924,COc1cc2c(cc1-c1c(CO)ccc3ccccc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7763256
29925,COc1cc2c(cc1Cl)CCN1Cc3c(cccc3OCCF)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.709167
29926,COc1cc2c(cc1O)C1Cc3cccc(NC(=O)Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.2632098
29927,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccco3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69690365
29928,COc1cc2c(cc1OC)C1Cc3cccc(COC(C)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5328324
29929,COc1ccc(C(=O)NCCN2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.5641707
29930,COc1ccc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.926493
29931,COc1ccc(Cc2cccc(CN3CCN(CCCF)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5943207
29932,COc1ccc(OCCC(=O)COc2ccc(C(F)(F)F)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.02242009
29933,COc1ccc(OCCC(N)=O)cc1CCNc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.022274423
29934,COc1ccc(OCCCC(=O)c2ccc(F)cc2)cc1N1CCN(C(C)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.11162523
29935,COc1ccc(OCCCCSc2ccccc2F)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1238019
29936,COc1ccc(OCCCNC(=O)Cc2ccc(F)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.029592315
29937,COc1ccc(OCCF)cc1SCNS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.04907328
29938,COc1ccc(OCCN(C)C)cc1CN1CCN(C(C)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.16066852
29939,COc1ccc(OCCNC(=O)Cc2ccc3c(c2)CC(=O)CC3)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.072912514
29940,COc1ccc(OCCS(C)(=O)=O)cc1N1CCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.26255184
29941,COc1ccc(OCCS(C)(=O)=O)cc1NC(=O)Cc1ccc(CF)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.007642499
29942,COc1cccc(-c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.600323
29943,COc1cccc(C=Cc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.80623466
29944,COc1cccc2c1CN1CCc3cc(O)c(Cc4ccco4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6018081
29945,COc1ccccc1CCCN1CCN(Cc2cccc(O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62670916
29946,COc1ccccc1N1CCN(CCN2CCC(c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8648247
29947,COc1ccccc1N1CCN(CCN2CCC(n3nc(-c4ccc(Br)cc4)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7442543
29948,COc1ccccc1N1CCN(COc2ccc(OCCCn3ccc(CCCF)c3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6443419
29949,Cc1cc(OCCCN2CCN(c3ccc(F)cc3)CC2)ccc1OOCC=O,[*]CCOc1ccc(O[*])c([*])c1,0.6694586
29950,Cc1cc(OCCc2ccc(C(=O)c3ccccc3)nc2)ccc1ON1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.15914856
29951,Cc1cc2c(cc1-c1ccc(C#N)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6827853
29952,Cc1cccc(-c2cc(C(=O)NCCN3CCN(Cl)CC3)ccc2F)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2606448
29953,Clc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccccn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80311215
29954,N=COc1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58128065
29955,O=C(NCCN1CCN(F)CC1)c1ccc(F)c(-c2ccccc2)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.44769102
29956,O=C(Nc1cc(Cl)ccc1Cl)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42522085
29957,O=C(OCc1ccccc1)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5978591
29958,O=C1c2ccccc2C(=O)N1CCCCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70992947
29959,O=CC1Cc2ccccc2N1C(=O)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65201634
29960,OCc1cc2c(cc1O)CCN1Cc3c(COc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6311857
29961,CC(C)c1cccc2c1CN1CCc3cc(O)c(OCc4ccc(C#N)cc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73484117
29962,CC1(C)Cc2ccccc2OC1CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61310893
29963,CCCCc1ccccc1N1CCN(Oc2ccc(OCCOC)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23086935
29964,CCCOc1ccc(OCN2CC=C(C(=O)O)CC2)c(CN2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3893403
29965,CCCOc1ccc(OOC)c(CN2CCC(c3ccccc3F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6733945
29966,CCOC1CCN(CCN2CCN(c3ccccc3-n3c(O)nc4c(OC)cccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6707056
29967,CCOc1ccccc1N1CCN(CCN2CCC(Oc3ccc4c(c3)CCC(=O)N4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7141055
29968,COC(=O)Oc1ccc(OCCN2CCC(c3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.4084858
29969,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3cccc4ccc(O)cc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72600615
29970,COCCCN1CCN(Cc2cccc(-c3ccccc3N3CCc4ccccc4C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6850886
29971,COCCCN1CCN(Cc2cccc(CNc3nccc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.45373037
29972,COCCOc1ccc(OC)c(CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.91678774
29973,COc1cc2c(cc1O)C1Cc3cccc(C=[N+](O)c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7659392
29974,COc1cc2c(cc1O)C1Cc3cccc(CC=Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74556696
29975,COc1cc2c(cc1O)C1Cc3cccc(OCCNc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6167962
29976,COc1ccc(C(=O)NCCN2CCN(O)CC2)cc1-c1cccc(Cl)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3503782
29977,COc1ccc(Cc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)c2ccccc12,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7458302
29978,COc1ccc(OCCC(C)=O)cc1N1CCC(Oc2ccccc2CC2CCCCC2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.15461725
29979,COc1ccc(OCCCCCc2cc3ccc(F)cc3o2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.118581906
29980,COc1ccc(OCCCS(=O)(=O)c2cccc(C(C)C)c2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09451453
29981,COc1ccc(OCCNC(=O)c2ccc(C(C)C)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.018364258
29982,COc1ccc(OCCS(C)(=O)=O)cc1-c1ccccc1OCC1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.18576322
29983,COc1cccc(CN2CCN(CCCCN3c4ccccc4S(=O)(=O)C3C)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6309211
29984,COc1cccc(CN2CCN(CCCCNC(=O)C=Cc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6521885
29985,COc1cccc(CN2CCN(CCCc3ccc4c(c3)C(O)CC4)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7345467
29986,COc1cccc2c1CN1CCc3cc(Cc4cccc([N+](=O)[O-])c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48892683
29987,COc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3cnc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8210669
29988,COc1ccccc1N1CCN(CCN2CCC(Cc3cc4ccccc4nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7799087
29989,COc1ccccc1SC1CCN(Oc2ccc(OCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.38794106
29990,CSOc1ccc(OCCNCS(=O)(=O)c2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.07477543
29991,Cc1cc(OCCCCCc2ccc(OC3CC=NCC3)cc2)ccc1OS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.124575
29992,Cc1cc(OCCN(C)C)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.11498522
29993,Cc1cc(OCCN2CCC(C(=O)c3ccc(Cl)cc3)CC2)ccc1ONS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.45552647
29994,Cc1cc(OCCN2CCC(CCc3cccs3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.56646067
29995,Cc1cc(OCCN2CCC(OCc3ccc(F)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.63005394
29996,Cc1cc(OCCN2CCCC(Cc3cc(N)c4c(c3)SCC(=O)CC4)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.468029
29997,Cc1cc(OCCN2CCN(C)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.26470017
29998,Cc1cc(OCCNS(C)(=O)=O)ccc1OCNCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.1912479
29999,Cc1cc(OCCNS(C)(=O)=O)ccc1ONC(=O)Cc1ccc(C2(O)CCNCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.03433272
30000,Cc1cc(OCCNc2ccccc2OC(C)C)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.028271444
30001,Cc1cc2c(cc1Cc1cccc([N+](=O)[O-])c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.450943
30002,Cc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1ccccn1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27740312
30003,Cc1ccccc1N1CCN(CCN2CCC(Cc3cc4ccccn4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6481375
30004,O=C(Nc1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1)c1cccc2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.35939905
30005,O=C(Nc1cccc(CN2CCN(CCCOc3ccccc3)CC2)c1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.36437207
30006,OCc1cc2c(cc1O)C1Cc3cccc(Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7108907
30007,Oc1[nH]cc2cc(CCCN3CCN(Cc4cccc(F)c4)CC3)ccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58413607
30008,Oc1cc2c(cc1C=NOc1cccc(Cl)c1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.566905
30009,CC(=O)c1ccc(OC2CCN(Oc3ccc(OCCS(N)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.10518236
30010,CCC1CN(CCOc2ccc(ONS(C)(=O)=O)c(C)c2)CCC1c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.52925396
30011,CCCNc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5119664
30012,CCCOc1ccc(ON)c(N2CCC(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3747803
30013,CCCOc1ccc(OOC)c(N2CCC(C(=O)c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17703773
30014,CCOc1ccccc1CCCOc1ccc(OC)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1439624
30015,COC1CCN(CCN2CCN(c3ccccc3Cc3cc4cc(O)ccc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.62706685
30016,COCCOc1ccc(OC)c(C2CC(c3ccccc3)CCN2CCF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.48182327
30017,COOc1ccc(OCCN2CCN(c3ccc(OC)c(F)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.59232444
30018,COOc1ccc(OCCNC(=O)c2ccc3ccccc3c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.03116468
30019,COc1cc2c(cc1NCc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55117464
30020,COc1cc2c(cc1O)C1Cc3cccc(OC(C)c4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6829145
30021,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(O)CCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79872984
30022,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccccc4COC(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66363853
30023,COc1cc2c(cc1OC)C1Cc3cccc(COCc4cccc(C(F)(F)F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76390177
30024,COc1ccc(-c2cc3c(cc2O)C2Cc4cccc(OCc5ccccc5)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6528754
30025,COc1ccc(OCCC(N)=O)cc1N1CCN(c2ccc(CC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.17850968
30026,COc1ccc(OCCCc2ccc(SC)cc2)cc1NC(=O)C1CCCNC1,[*]CCOc1ccc(O[*])c([*])c1,0.09323351
30027,COc1ccc(OCCN)cc1NC(=O)Cc1cc2ccccc2o1,[*]CCOc1ccc(O[*])c([*])c1,0.013046943
30028,COc1ccc(OCCN2CCC(C(=O)c3ccccc3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.45582682
30029,COc1ccc(OCCN2CCC(NC(=O)c3cccc(F)c3F)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5442106
30030,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(c2ccco2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.16996382
30031,COc1ccc(OCCNC=O)cc1CN1CCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.69857764
30032,COc1ccc(OCCS(C)(=O)=O)cc1C1CCC(Cc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.32849768
30033,COc1ccc(OCCS(N)(=O)=O)cc1NC(=O)Cc1ccc(C)nc1,[*]CCOc1ccc(O[*])c([*])c1,0.005804084
30034,COc1ccc2[nH]cc(C(=O)Nc3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)c2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.3797825
30035,COc1cccc(CN2CCN(CCCCNC(=O)C3(c4ccccc4)CC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55579054
30036,COc1cccc2c1CN1CCc3cc(C=NOCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6711945
30037,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(-n4ccnc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84878147
30038,CSOc1ccc(OCCN2CCC(c3occc3C)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.61077803
30039,Cc1cc(OCCCCCc2ccccc2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.0723927
30040,Cc1cc(OCCN2CCC(Cc3ccc(F)cc3)C(O)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4380798
30041,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCS4)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.58325523
30042,Cc1cc(OCCN2CCC(Oc3ccc4ccccc4c3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5321631
30043,Cc1cc(OCCN2CCCC(Cc3ccc(F)cc3)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.43265614
30044,Cc1cc(OCCNC(=O)CCc2ccc3c(c2)OC(=O)CC3)ccc1ONC=O,[*]CCOc1ccc(O[*])c([*])c1,0.053692915
30045,Cc1cc(OCCNCCc2ccccc2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1990398
30046,Cc1cc(OCCNS(=O)(=O)c2ccccc2C(C)C)ccc1ON1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.09937994
30047,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCC(OC2=CC=C3C=CC(CCCCC2)C3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.17509663
30048,Cc1cc2c(cc1C=NOc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5921662
30049,Cc1cc2c(cc1O)C1Cc3cccc(CCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68680626
30050,Cc1cccc2c1CN1CCc3cc(-c4ccccc4C#N)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5348808
30051,Cc1oc2ccccc2c1-c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6923303
30052,ClC1CCN(CCN2CCN(c3ccccc3COCC#Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78275865
30053,N#Cc1cccc(-c2cc3c(cc2CO)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5494568
30054,O=C(NCCN1CCN(Cl)CC1)c1ccc(F)c(-c2cc3ccccc3s2)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.39565274
30055,O=c1cccc(CCCCN2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.52171725
30056,OCCCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63230973
30057,Oc1cc2c(cc1C=NOc1ccccc1Cl)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5964207
30058,CCCOc1ccc(OC)c(CNC(=O)c2ccc(C(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.023801915
30059,CCCOc1ccc(OCN2CCN(Cc3ccccc3OC)CC2)c(SC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5549718
30060,CCCOc1ccc(OCNc2ccccc2C)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07402051
30061,CCCOc1ccc(ON)c(N2CCC(Oc3ccc4c(c3)NC(=O)CCC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.54437596
30062,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(Cc3ccc4c(c3)NC(=O)CCC4)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27356148
30063,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(c3ccc(CC(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29332736
30064,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCCC(CCc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2849096
30065,CCCOc1ccc(OS(C)(=O)=O)c(CCCc2ccc(OC3CCNCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23414993
30066,CCCOc1ccc(OS(N)(=O)=O)c(CCCc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2779327
30067,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(Nc3cccc(F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33991513
30068,CCCOc1ccc(O[SH](C)(=O)O)c(NCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07195559
30069,CCCc1cccc(C(=O)NCCOc2ccc(OC)c(OS(C)(=O)=O)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.030316357
30070,COC(=O)NC=Cc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.423795
30071,COC1CCN(CCN2CCN(c3ccccc3Oc3cccc4nc(O)ccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81415635
30072,COCCCN1CCN(Cc2cccc(Cn3cc4ccccc4c3O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57399255
30073,COOc1ccc(OCCCN2CCN(c3cc(F)ccc3F)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.7787826
30074,COOc1ccc(OCCN2CCC(NS(=O)(=O)c3cccc(Cl)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6905977
30075,COOc1ccc(OCCNC(=O)Cc2ccc3c(c2)CCCCC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.038719207
30076,COOc1ccc(OCCc2ccc(F)cc2)cc1CCCc1ccccn1,[*]CCOc1ccc(O[*])c([*])c1,0.13200128
30077,COc1cc2c(cc1O)C1Cc3cccc(N4CCCC4=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58352494
30078,COc1cc2c(cc1O)CCN1Cc3c(cccc3Oc3ccc(C)cc3C)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68516403
30079,COc1ccc(OCCC(N)=O)cc1Nc1ccccc1OCC(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.01985271
30080,COc1ccc(OCCCN2CCC(Cc3ccc(F)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.607801
30081,COc1ccc(OCCN2CCC(CC(=O)c3cc4ccccc4s3)CC2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5048192
30082,COc1ccc(OCCN2CCC(Oc3cccc(C(C)=O)c3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.46754098
30083,COc1ccc(OCCN2CCN(c3ccc(C(C)C)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5743842
30084,COc1ccc(OCCN2CCN(c3ccccc3OC(C)C)CC2)cc1NC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6605303
30085,COc1ccc(OCCN=S(C)(=O)O)cc1NCCc1ccsc1,[*]CCOc1ccc(O[*])c([*])c1,0.058108594
30086,COc1ccc(OCCNC(=O)C=Cc2ccc(F)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06232807
30087,COc1ccc(OCCNC(O)Cc2ccc3c(c2)CCC(=O)N3)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16735809
30088,COc1ccc(OCCNS(=O)(=O)c2cc(Cl)ccc2F)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07050672
30089,COc1cccc(CN2CCN(CCCC(=O)N3Cc4ccccc4C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6106752
30090,COc1cccc(CN2CCN(CCCC3Cc4ccccc4O3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.73748237
30091,COc1cccc(CN2CCN(CCCCNC(=O)c3cc4cc(OC)ccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58495826
30092,COc1ccccc1C1CCN(Oc2ccc(OCCOS(=O)(=O)C(F)(F)F)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3076478
30093,COc1ccccc1COc1cc2c(cc1OC)CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6766298
30094,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(-c4ccncc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8995876
30095,CSc1ccc(C2CCC(NCCOc3ccc(OS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.16495726
30096,Cc1cc(OCCNCc2ccc(Cl)cc2)ccc1OCS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.18811916
30097,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.23919661
30098,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(c2ccc(OC3CCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2211885
30099,Cc1ccccc1N1CCN(CCN2CCC(C(O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6425964
30100,Cc1ccccc1N1CCN(CCN2CCC(c3nc(-c4ccc(F)cc4)cs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6646514
30101,Fc1ccc(CCCCN2CCN(Cc3cccc(Cl)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.850011
30102,N#Cc1cccc(-c2cccc3c2CN2CCc4cc(Br)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5727582
30103,O=C(NCCCCN1CCN(Cc2cccc(Cl)c2)CC1)c1cc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70796955
30104,O=C(c1ccc(F)cc1)C1CCN(CCN2CCN(c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65002656
30105,O=C1c2ccccc2C(=O)N1c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69052243
30106,O=c1ncc(F)cn1C1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.787898
30107,Oc1cc2c(cc1C(F)(F)F)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73007226
30108,Oc1cc2c(cc1O)C1Cc3cccc(C4CCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67796004
30109,CC1CCN(CCN2CCN(c3ccccc3-c3ccncc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77716863
30110,CC1CCN(CCN2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5609204
30111,CCCOc1ccc(ON2CCCN(c3ccccc3OC)CC2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28931728
30112,CCCOc1ccc(ONS(C)(=O)=O)c(CCOc2ccccc2CCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10503372
30113,CCCOc1ccc(OOC)c(N2CCCC(Cc3ccc(NS(C)(=O)=O)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15436848
30114,CCCOc1ccc(OSC)c(CNC(=O)COc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.012371836
30115,CCOc1ccc(C)cc1S(=O)(=O)NCCOc1ccc(OS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0874314
30116,CCOc1ccccc1-c1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5471511
30117,CCOc1ccccc1N1CCN(CCCOc2ccc(OC)c(OCCF)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.914256
30118,CCOc1ccccc1N1CCN(Oc2ccc(OCCC(=O)NC)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.17548361
30119,CCc1ccccc1N1CCN(CCN2CCC(c3ncc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74013126
30120,CNC(=O)CCOc1ccc(OC)c(Cc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.029138228
30121,CNS(=O)c1cc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.63187236
30122,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3ccc4c(c3)OCO4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6583244
30123,COCCOc1ccc(OC)c(CC(=O)Nc2ccc(F)cc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.02559643
30124,COCCOc1ccc(OC)c(NCCc2ccc(F)c(F)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.071756445
30125,COCCOc1ccc(OF)c(CN2CCCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7047885
30126,COCc1cc(OCCN2CC=C(c3ccccc3)CC2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.618115
30127,COc1cc2c(cc1-c1ccccc1)CCN1Cc3c(Cc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6665675
30128,COc1cc2c(cc1N(C)C)CCN1Cc3c(cccc3Oc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73583186
30129,COc1cc2c(cc1O)CCN1Cc3c(cccc3Nc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4483172
30130,COc1cc2c(cc1Oc1ccccc1)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7441109
30131,COc1ccc(-c2cc(C(=O)NCCN3CCN(OC)CC3)ccc2OC)s1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.21971895
30132,COc1ccc(C#Cc2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.712324
30133,COc1ccc(C2CCN(CCN3CCN(c4ccccc4C#N)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84444606
30134,COc1ccc(OCCC=N)cc1CCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.17154925
30135,COc1ccc(OCCCCCc2ccc3c(c2)OC(=O)CC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.25487328
30136,COc1ccc(OCCCSCc2ccc(F)c(F)c2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.073666856
30137,COc1ccc(OCCN2CCCC(CCc3ccc4c(c3)NC(=O)CC4)C2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4792233
30138,COc1ccc(OCCN2CCCC(Cc3ccc4c(c3)NC(=O)CCS4)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.4431808
30139,COc1ccc(OCCNS(=O)(=O)c2ccccc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10464632
30140,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(CC2=Cc3ccccc3CC(=O)N2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3245208
30141,COc1ccc(OCCNS(C)(=O)=O)cc1NC(=O)COc1cccc2c1CCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.056073446
30142,COc1ccc(OCCNS(C)(=O)=O)cc1NCCOc1cccc2c1CC(C)(C)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.15501195
30143,COc1ccc2cccc(C(=O)Nc3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)c2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.40938345
30144,COc1cccc(CCNCc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61936706
30145,COc1cccc2c1CN1CCc3cc(CN(C)CCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72064984
30146,COc1ccccc1C1CCN(COc2ccc(OCCC=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.40609795
30147,COc1ccccc1N1CCN(Oc2ccc(OCCCO)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.266633
30148,Cc1cc(OCCN2CCC(Oc3cc4ccccc4s3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.51430815
30149,Cc1cc(OCCN2CCC(Oc3ccc(F)cc3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.69555557
30150,Cc1cc(OCCN2CCCC(Cc3ccc(OC4CCCCN4)cc3)C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.36492255
30151,Cc1cc(OCCNCc2ccco2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.075879104
30152,Cc1cc(OCCNS(C)(=O)=O)ccc1OC(=O)COc1ccc2c(c1)NCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.07136932
30153,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCCC(CCc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1670185
30154,Cc1cccc(CN2CCN(CCCCc3cccc(S(N)(=O)=O)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6735004
30155,Cn1ccc(-c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68176746
30156,OC1CCN(CCN2CCN(c3ccccc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81976426
30157,OCc1cccc(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.838787
30158,Oc1cc2c(cc1-c1cccc3cccnc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65943354
30159,Oc1cc2c(cc1O)C1Cc3cccc(C(O)OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71120155
30160,Oc1nc2ccc(F)cc2n1-c1ccccc1N1CCN(CCN2CCC(C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76727676
30161,C=S(O)(O)=NOc1ccc(OCCN2CCC(Cc3ccc4ccccc4n3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.52133363
30162,CC(=O)c1cccc2c1CN1CCc3cc(Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51043683
30163,CC(C)(C)Oc1cc2c(cc1O)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7985429
30164,CC(C)Oc1cc2c(cc1CO)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6508022
30165,CCCOc1ccc(OC(=O)COc2ccccc2C(C)C)c(N)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05509817
30166,CCCOc1ccc(OCN2CCC(C)=NS(=O)(=O)C2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3719755
30167,CCCOc1ccc(OF)c(CNC(=O)c2ccccc2OC2CCNCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09162163
30168,CCCOc1ccc(ON)c(CNCc2ccco2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.109866895
30169,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22808646
30170,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(c3ccc(SC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19790101
30171,CCCOc1ccc(OS(C)(=O)=O)c(NCCc2coc3ccccc23)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0599067
30172,CCCOc1ccc(OSC)c(CNc2cccc(Cl)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08203514
30173,CCCOc1ccc(Oc2ccc(C(C)=O)cn2)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.58540404
30174,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccc(F)cc4)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8136566
30175,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccc(-c4ccc(F)cc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.469762
30176,COCCOc1ccc(OC)c(-c2ccccc2COc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19152817
30177,COOc1ccc(OCCCCOc2ccc(F)cc2)cc1CCCF,[*]CCOc1ccc(O[*])c([*])c1,0.13573287
30178,COc1cc2c(cc1O)C1Cc3cccc(-c4cc(C=O)ccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71865004
30179,COc1cc2c(cc1O)C1Cc3cccc(Cc4cc(F)cc(F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8340322
30180,COc1cc2c(cc1O)C1Cc3cccc(NC(=O)Oc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39454293
30181,COc1cc2c(cc1O)CCN1Cc3c(Cc4c(C(N)=O)[nH]c5ccccc45)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5391332
30182,COc1cc2c(cc1O)CCN1Cc3c(cccc3NC(=O)COc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.20777479
30183,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc5ccc(C#N)cc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5498962
30184,COc1ccc(CC2CCN(CCOc3ccc(OOS)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.608193
30185,COc1ccc(OCCCN2CCC(c3ccccc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6945087
30186,COc1ccc(OCCF)cc1CS(=O)(=O)N1CCC(C(F)(F)F)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21836844
30187,COc1ccc(OCCN2CCC(F)(F)CC2)cc1OS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.5773567
30188,COc1ccc(OCCN2CCC(O)(c3ccc(Cl)cc3)C2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.45141572
30189,COc1ccc(OCCN2CCCC(CCc3ccccc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4483029
30190,COc1ccc(OCCN2CCN(Cc3cccc(Cl)c3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4872783
30191,COc1ccc(OCCN2CCN(c3ccc(F)cc3)CC2C)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.33824477
30192,COc1ccc(OCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.87777734
30193,COc1ccc(OCCN=S(C)(=O)O)cc1C(=O)NCc1ccc(S(C)(=O)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.038663708
30194,COc1ccc(OCCNCCc2cc3c(s2)CC(=O)CC3)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.21643795
30195,COc1ccc(OCCS(C)(=O)=O)cc1CCOc1ccc2c(c1)NC(=O)CCC2,[*]CCOc1ccc(O[*])c([*])c1,0.21037313
30196,COc1ccc2c(c1)CCC(c1ccccc1N1CCN(CCN3CCC(OC)CC3)CC1)C2=O,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7107783
30197,COc1cccc(-c2cccc3c2CN2CCc4cc(-c5cccc(CO)c5)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47491682
30198,COc1ccccc1N1CCN(CCN2CCC(Oc3ccc4ccccn34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8051627
30199,COc1ccccc1N1CCN(CCN2CCC(c3cccc(-c4ccc(Cl)nc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87047684
30200,COc1ccccc1N1CCN(CCN2CCC(n3ccc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8039878
30201,COc1ccccc1NC1CCN(Oc2ccc(OCCO)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.13868174
30202,CSc1ccc(CNC(=O)Oc2ccc(OCCF)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.014483084
30203,CSc1ccccc1OCOc1ccc(OCCNS(C)(=O)=O)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.12956642
30204,Cc1cc(O)n(C2CCN(CCN3CCN(c4ccccc4O)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6729724
30205,Cc1cc(OCCN2CCCC(Cc3ccc(F)cc3)C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.37522385
30206,Cc1cc(OCCN2CCCC(Cc3ccccc3)C2)ccc1OSO,[*]CCOc1ccc(O[*])c([*])c1,0.39698303
30207,Cc1cc(OCCN2CCN(c3ccccc3OCC(C)C)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.772873
30208,Fc1ccc(C(F)C2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7384017
30209,O=C(Nc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2)c1ccc2[nH]ccc2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.33407164
30210,O=S(=O)(c1ccccc1)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4915895
30211,O=[N+]([O-])c1ccccc1N1CCN(CCN2CCC(n3cccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5888457
30212,CC(=O)Cc1cc2c(c(OCCCCOc3ccc(ONS(C)(=O)=O)c(C)c3)c1)CCC2,[*]CCOc1ccc(O[*])c([*])c1,0.10431923
30213,CC(=O)Cc1ccc2c(c1)NC(=O)C(CCOc1ccc(OS(C)(=O)=O)c(C)c1)C2,[*]CCOc1ccc(O[*])c([*])c1,0.14499767
30214,CC(=O)c1ccc(C2CCN(Oc3ccc(OCCO)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.13426004
30215,CC(C)OC1CCN(CCN2CCN(c3ccccc3-n3c(O)nc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6425143
30216,CC1c2ccccc2N(CCCN2CCN(Cc3cccc(Cl)c3)CC2)S1(=O)=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6599776
30217,CCCOc1ccc(OC)c(N2CCN(C(c3ccccc3)c3cccc(OC)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28123462
30218,CCCOc1ccc(OC)c(N2CCNC(C(=O)c3ccc(Cl)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1693799
30219,CCCOc1ccc(ON2CCC(c3noc4cc(F)ccc34)CC2)c(NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32325622
30220,CCCOc1ccc(ONS(C)(=O)=O)c(CCCc2ccc3c(c2)CC(=O)CS3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14168176
30221,CCCOc1ccc(OOC)c(-c2ccc(C(C)c3ccccc3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.122845635
30222,CCCOc1ccc(OOC)c(N2CC=C(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5063943
30223,CCCOc1ccc(OS(C)(=O)=O)c(C(C)COc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.051328182
30224,CCCOc1ccc(OS(C)(=O)=O)c(CCCc2nc3ccccc3s2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09295329
30225,CCCOc1ccc(OSC)c(CN2CCC(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.61426026
30226,COCCOc1ccc(ON2CCCN(c3ccc(F)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25727302
30227,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(F)cc4C#N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7240799
30228,COc1cc2c(cc1OC)C1Cc3cccc(CC(=O)c4cccc([N+](=O)[O-])c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36632836
30229,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc(C(C)=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47481075
30230,COc1cc2c(cc1[N+](=O)c1cccc(C#N)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6257842
30231,COc1ccc(NC(=O)C2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)c(OC)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.36402658
30232,COc1ccc(OCCCCCc2ccc(F)cc2)cc1NS(=O)(=O)c1ccc(SC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07181004
30233,COc1ccc(OCCCCCc2ccc3c(c2)NC(=O)CC3)cc1C(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.14763503
30234,COc1ccc(OCCCCSc2cccc3c2CN(C)CC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.42904523
30235,COc1ccc(OCCNC(C)=O)cc1NC(=O)COc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.009691539
30236,COc1cccc(CN2CCN(CCCC3=CS(=O)(=O)c4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4599366
30237,COc1cccc(CN2CCN(CCCN3CCCC3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49506193
30238,COc1cccc2c1CN1CCc3cc(C)c(COCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63512224
30239,COc1cccc2c1CN1CCc3cc(CO)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68675
30240,COc1cccc2c1CN1CCc3cc(Cc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71932334
30241,COc1cccc2c1CN1CCc3cc(OS(=O)(=O)C(F)(F)F)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7313155
30242,COc1ccccc1C1CCN(Oc2ccc(OCCNC(C)=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.15661214
30243,CS(=O)(=O)Cc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6204983
30244,CSSOc1ccc(OCCN2CCC(Oc3ccc4c(c3)NC(=O)CC4)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6489588
30245,CSc1ccccc1N1CCN(CCN2CCC(c3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7683905
30246,Cc1cc(OCCC(C)COc2ccc3c(c2)CC(=O)NC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.14275056
30247,Cc1cc(OCCN=S(C)(=O)O)ccc1OCCc1ccccc1OC1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.15694457
30248,Cc1cc(OCCNC(=O)COc2ccccc2C(C)C)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.015532449
30249,Cc1cc(OCCOC(=O)CCc2ccc3c(c2)CC(=O)CC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.08859399
30250,Cc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1cccc(C(F)(F)F)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.25453028
30251,Cc1cccc(-c2cc(C(=O)NCCN3CCN(O)CC3)ccc2O)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.28663582
30252,Cc1cccc(CN2CCN(CCCC3Oc4ccccc4CC3(C)C)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6264342
30253,Cc1cccc2c1CN1CCc3cc(O)c(-c4cccc(C#N)c4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51954144
30254,Cc1ccccc1-c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.607914
30255,Cc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc(O)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.62979794
30256,ClCCCN1CCN(Cc2cccc(-c3ccccc3-c3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69426376
30257,Clc1ccccc1N1CCN(CCN2CCC(Oc3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81127805
30258,O=C1CC2(CCCC2)C(=O)N1c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6292289
30259,O=[N+]([O-])c1ccccc1N1CCN(CCN2CCC(c3cccn3Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5349168
30260,Oc1cccc2c1CN1CCc3cc(-c4c(F)cccc4F)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7156663
30261,C=Cc1ccccc1OC1CCN(CCOc2ccc(OO)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.56330496
30262,CC(=O)NCC1CCN(CCN2CCN(c3ccccc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68712693
30263,CC(C)c1ccccc1N1CCN(CCN2CCC(c3ccc(C#N)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73051363
30264,CCCOc1ccc(OC)c(N=S(C)(=O)O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.056056883
30265,CCCOc1ccc(OCCOc2ccc(F)cc2)c(N2CCNCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32085642
30266,CCCOc1ccc(OCN2CCC(C(=O)O)c3cc(C)ccc3C2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35418826
30267,CCCOc1ccc(OOC)c(Cc2ccc(Cl)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14930171
30268,CCCOc1ccc(OS(C)(=O)=O)c(Oc2ccc(CCc3ccccc3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.090900585
30269,CCCOc1ccc(O[N+](=O)[O-])c(N2CCCN(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16785206
30270,CCOc1ccccc1N1CCN(CCN2CCC(c3ccc4cc(O)ccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6897519
30271,CCOc1ccccc1N1CCN(CCN2CCC(n3ccc(Cl)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7763021
30272,CN1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(-c3cccc(Cl)c3Cl)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2663772
30273,CN1CCN(c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)CC1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7069123
30274,CNC1CCN(CCN2CCN(c3ccccc3Oc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.88487697
30275,COC(=O)[N+](=O)c1cccc(Cc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4428665
30276,COC1CCN(CCN2CCN(c3ccccc3-n3cc(F)nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69474703
30277,COCCCN1CCN(Cc2cccc(-c3ccc4c(c3)NC(=O)c3ccccc3C4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62558424
30278,COCCCN1CCN(Cc2cccc(NC(=O)Cc3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.26743305
30279,COCCOc1ccc(ON2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20898415
30280,COOc1ccc(OCCF)cc1CC1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4290551
30281,COc1cc2c(cc1CO)CCN1Cc3c(cccc3-c3cccs3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71477526
30282,COc1cc2c(cc1O)C1Cc3cccc(Oc4cccc([N+](=O)[O-])c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55455536
30283,COc1cc2c(cc1O)CCN1Cc3c(cccc3OC(=O)NCc3ccc(C)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3530942
30284,COc1cc2c(cc1OC)C1Cc3cccc(OCC4CC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78323877
30285,COc1ccc(Cc2cccc3c2CN2CCc4cc(OC)c(COCc5ccccc5)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6191352
30286,COc1ccc(OCCCCOc2ccccc2C(C)C)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.11921756
30287,COc1ccc(OCCCN2CCC(c3ccccc3OC)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.7863505
30288,COc1ccc(OCCCN2CCN(c3ccccc3OC)C2=O)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.21775274
30289,COc1ccc(OCCCOCc2ccccc2)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7915835
30290,COc1ccc(OCCCS(=O)(=O)c2ccc(F)cc2)cc1NC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.0370764
30291,COc1ccc(OCCN=S(C)(=O)O)cc1CN1CCC(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4692462
30292,COc1ccc(OCCNS(C)(=O)=O)cc1CN1CCN(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.44254896
30293,COc1ccc(OCCS(C)(=O)=O)cc1CCCc1cccc2c1NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.22765747
30294,COc1cccc(C(=O)c2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52058834
30295,COc1cccc(CN2CCN(CCCCN3C(=O)Cc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7992484
30296,COc1cccc(CN2CCN(CCCc3cc4cc(C(N)=O)ccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49936616
30297,COc1cccc(CN2CCN(CCCn3c(=O)sc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5677023
30298,COc1ccccc1-c1cc(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)ccc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30453482
30299,COc1ccccc1C(=O)NCc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65275675
30300,COc1ccccc1N1CCN(CCN2CCC(Oc3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87825745
30301,COc1ccccc1N1CCN(CCN2CCC(n3c(O)cc(-c4c[nH]c5ccccc45)c3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.754736
30302,COc1ccccc1N1CCN(Oc2ccc(OCCN(C)C)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.35078758
30303,Cc1cc(OCCCN2CCN(c3ccccn3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.872963
30304,Cc1cc(OCCN2CCCC(COc3ccc4c(c3)NC(=O)CC4)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5041876
30305,Cc1cc2c(cc1OS(=O)(=O)C(F)(F)F)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6394315
30306,O=C(NC1CCN(CCN2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1)c1ccc2ncccc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.55897504
30307,O=c1ccccn1CCc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62955064
30308,Oc1cc2c(cc1-c1ccc(Br)cc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71130776
30309,Oc1cccc2c1CN1CCc3cc(C=NOCc4cccc(F)c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62280196
30310,Oc1cccn1-c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7201865
30311,[O-]c1ccccc1N1CCN(CCN2CCC(c3nc(-c4ccccc4)cs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7592928
30312,CC(=O)OCCCN1CCN(Cc2cccc(COc3ccc4c(c3)NC(=O)CC4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5514989
30313,CC(C)c1ccccc1N1CCN(CCN2CCC(c3nc(-c4ccc(F)cc4)cn3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6789826
30314,CC(CO)NC(=O)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43977234
30315,CC(O)c1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccccn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65293574
30316,CC1CCN(CCN2CCN(c3ccccc3-c3cnc(-c4ccccc4)o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67893463
30317,CCCN1CCN(CCOc2ccc(OC)c(S(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.398425
30318,CCCOc1ccc(OC)c(N2CCC(NS(=O)(=O)c3ccc(Cl)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2547179
30319,CCCOc1ccc(OCCOc2ccccc2CC)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1292725
30320,CCCOc1ccc(OCN2CCN(c3ccccc3OC)CC2)c(C(=O)OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.59171355
30321,CCCOc1ccc(OOC)c(N2CCCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3113173
30322,CCCOc1ccc(OOC)c(NCC2CCc3ccc(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4738923
30323,CCCOc1ccc(OS(=O)(=O)NC(C)=O)c(C2CCCN(CCC)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35721397
30324,CCCOc1ccc(OS(C)=O)c(N2CCC(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3108711
30325,CCOCCOc1ccc(ONCCCc2ccccc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11781275
30326,CCOc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc4ccc(O)cc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80885816
30327,CNOc1ccc(OCCN2CCN(c3ccc(C(C)=O)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.44080478
30328,COC(=O)c1cc(OCCN2CCC(Cc3ccc4ccccc4n3)CC2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.45983052
30329,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3ccc(-c4ccccc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71859354
30330,COCCOc1ccc(OC)c(CNC(=O)Nc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0116291735
30331,COOc1ccc(OCCN2CCC(NS(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.56608
30332,COc1cc2c(cc1C)CCN1Cc3c(cccc3C(=O)NCc3ccccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39225954
30333,COc1cc2c(cc1C)CCN1Cc3c(cccc3OC(C)C)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67604876
30334,COc1cc2c(cc1CO)CCN1Cc3c(cccc3-c3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6798836
30335,COc1cc2c(cc1O)CCN1Cc3c(cccc3N3CCN(C)CC3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7549248
30336,COc1ccc(COC(=O)Nc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.2872589
30337,COc1ccc(OCCC2CC2Cc2ccccc2)cc1S(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.15061584
30338,COc1ccc(OCCN(C)C)cc1NC(=O)c1ccc2c(c1)N(C)C(=O)c1ccccc1S2,[*]CCOc1ccc(O[*])c([*])c1,0.065117076
30339,COc1ccc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.6151303
30340,COc1ccc(OCCNCCc2ccc3c(c2)OC(=O)CC3)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.24307147
30341,COc1ccc(OCCNS(C)(=O)=O)cc1NCCCc1csc2ccccc12,[*]CCOc1ccc(O[*])c([*])c1,0.12982303
30342,COc1ccc(OCCS(=O)(=O)C(F)(F)F)cc1N1CCC(c2ccccc2OCC(C)C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29706013
30343,COc1ccc(OCCS(C)(=O)=O)cc1CC(C)Cc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.2352511
30344,COc1cccc(C(=O)c2cccc(CN3CCN(CCCCl)CC3)c2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5290371
30345,COc1cccc(CN2CCN(CCCCC=S(O)c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.616607
30346,COc1cccc(CN2CCN(CCCN(C(C)=O)c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5145794
30347,COc1cccc(CN2CCN(CCCc3ccc(-c4cc5ccccc5o4)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6562707
30348,COc1cccc2c1CN1CCc3cc(C(=O)Nc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36942184
30349,COc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccnc(O)c4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7545033
30350,Cc1cc(OCCF)ccc1OC(=O)NCc1cccs1,[*]CCOc1ccc(O[*])c([*])c1,0.014379084
30351,Cc1cc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)ccc1OS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.59248483
30352,Cc1cc(OCCN2CCN(Cc3ccccc3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.5951455
30353,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)CC(=O)CC3)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.046550844
30354,Cc1cc(OCCNC(=O)c2cc3ccccc3s2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.045750227
30355,Cc1cc2c(cc1CN)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6653742
30356,Cc1ccc(C(=O)NCCN2CCN(O)CC2)cc1-c1cccc(Cl)c1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.23330282
30357,Cc1cccc(CN2CCN(CCCC3Cc4ccccc4NC3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4876024
30358,Fc1ccc(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.88356686
30359,O=C(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1ccc2nc(O)ccc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4432271
30360,O=C(OCc1cccc(CN2CCN(CCCCl)CC2)c1)C1CCc2ccccc2C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.548735
30361,CC(=O)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5650635
30362,CC1Cc2ccccc2N1C(=O)CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72564274
30363,CCCOc1ccc(OCN2CCN(c3ccccc3OC)CC2)c(CN2C=C(CCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6259722
30364,CCCOc1ccc(OCNS(C)(=O)=O)c(Oc2c(CC)ccc3c2CCC(=O)N3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11095883
30365,CCCOc1ccc(ON2CCN(C)CC2)c(-c2ccccc2CF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.47199568
30366,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17167185
30367,CCCOc1ccc(ONCCCc2ccco2)c(CS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07095548
30368,CCCOc1ccc(OO)c(COc2ccc(C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.068596
30369,CCCOc1ccc(OOC)c(CCNC(=O)c2ccc(N3CCN(C)CC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2185232
30370,CCCOc1ccc(OOC)c(N2CCC(c3ccccc3C(F)(F)F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32423353
30371,CCCOc1ccc(OOC2CCN(c3ccccc3OC)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.46939036
30372,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(Cc3ccc(SCC)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18571824
30373,CCCOc1ccc(OS(C)(=O)=O)c(NC2CCC(Oc3ccc(CC4CCCCC4)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10530335
30374,CCOC(=O)Nc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.25651693
30375,CCOc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccncc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55043
30376,CCOc1cccc2c1CN1CCc3cc(Oc4cccc(OC)c4)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76597804
30377,CCc1c(OC)cccc1Oc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7073719
30378,CNC(=O)CCOc1ccc(OC)c(S(=O)Cc2ccc(C(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.008283762
30379,COC1CCN(CCN2CCN(c3ccccc3C(=O)C#Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6533178
30380,COCCOc1ccc(OCCN2CCN(c3ccccc3OC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.81946355
30381,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccccc1OC(C)C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30683163
30382,COc1cc2c(cc1N1CCCC1=O)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.593998
30383,COc1cc2c(cc1OC)C1Cc3cccc(-c4cccc(CNC(=O)c5ccccc5)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.37692335
30384,COc1ccc(OCCCS(N)(=O)=O)cc1N1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.26848555
30385,COc1ccc(OCCN)cc1CN1CCC(c2cc(F)ccc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.53126943
30386,COc1ccc(OCCN2CC(C)Cc3ccccc32)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3149024
30387,COc1ccc(OCCN2CCC(Cc3ccc(F)cc3)C2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5512636
30388,COc1ccc(OCCN2CCC(c3cccc(SCC(F)(F)F)c3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.66909826
30389,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(Oc2ccc3c(c2)NC(=O)CCC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4636186
30390,COc1ccc(OCCS(C)(=O)=O)cc1CCCC(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.11149005
30391,COc1ccc2cc(-c3cccc4c3CN3CCc5cc(OC)c(OC)cc5C3C4)ccc2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60616827
30392,COc1cccc(CN2CCN(CCCCNS(=O)(=O)c3cc4ccccc4s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5768896
30393,COc1cccc(CN2CCN(CCCCOc3ccc4sccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62276196
30394,COc1cccc2c1CN1CCc3cc(N4CCC(C(F)(F)F)CC4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64662486
30395,COc1ccccc1CNCCOc1ccc(ON=S(C)(=O)O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.104302965
30396,COc1ccccc1N1CCN(CCN2CCC(NCC3CCc4ccc(O)cc4O3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6761639
30397,CSOc1ccc(OCCNCCCc2cccc3c2CCCS3(=O)=O)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.24008913
30398,Cc1cc(OCCN(C)S(C)(=O)=O)ccc1OCCOc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.1364757
30399,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCCC(c2ccc(Cl)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.24297178
30400,FC(F)(F)CCCN1CCN(Cc2cccc(COc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5556833
30401,FC(F)(F)Oc1ccccc1N1CCN(CCN2CCC(c3ncc(-c4ccccc4)o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8241579
30402,Fc1cccc(CN2CCN(CCCC3=Cc4ccccc4C3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7159857
30403,O=C(C=Cc1ccccc1)NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7407398
30404,O=C(CCCN1CCN(Cc2cccc(F)c2)CC1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66432285
30405,O=C(CCCN1CCN(Cc2cccc(O)c2)CC1)c1cc2ccccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6929172
30406,O=Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70237565
30407,Oc1cc2c(cc1C1=Cc3ccccc3NC=C1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67338336
30408,Oc1cc2c(cc1O)C1Cc3cccc(Nc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44609523
30409,Oc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(C#Cc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74276304
30410,Oc1ccc2c(c1)nc(O)n2-c1ccccc1N1CCN(CCN2CCC(O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6809583
30411,CC(=O)c1ccccc1N1CCN(CCN2CCC(Nc3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6315012
30412,CCCOc1ccc(OCNS(C)(=O)=O)c(N2CCCC(CCc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2388372
30413,CCCOc1ccc(ON2CCN(c3cccc(C(F)(F)F)c3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3846586
30414,CCCOc1ccc(ONC(C)=O)c(N2CCC(Cc3ccc4c(c3)NC(=O)CCC4)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1995563
30415,CCCOc1ccc(ONS(C)(=O)=O)c(NC(=O)Cc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.090196915
30416,CCCOc1ccc(OOC)c(NCC2CCc3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40577227
30417,CCCOc1ccc(OS(C)(=O)=O)c(CNc2ccccc2OC(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.058901966
30418,CCCOc1ccc(OS(N)(=O)=O)c(CCOc2ccc(C(F)(F)F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.093859196
30419,CCCOc1ccc(OSC)c(N2CCC(Oc3ccc(SC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26663154
30420,CCCOc1ccc(O[SH](C)C)c(Cc2ccc(Cl)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12335293
30421,CCN(C)C(=O)c1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60335934
30422,CCOC1CCN(CCN2CCN(c3ccccc3-c3nnc(-c4ccccc4)o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77075845
30423,CCOc1ccccc1N1CCN(CCCOc2ccc(OC)c(OC)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.95033985
30424,CN1CCN(CCNC(=O)c2ccc(O)c(-c3ccc(Cl)cc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.370681
30425,CNN1CCN(CCNC(=O)c2ccc(OC)c(-c3ccccc3[N+](=O)[O-])c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30638182
30426,COC(=O)Nc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46469852
30427,COC1CCN(CCN2CCN(c3ccccc3-c3c[nH]c4ccc(O)cc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7492863
30428,COC1CCN(CCN2CCN(c3ccccc3-c3cc(-c4ccc(F)cc4)no3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75632924
30429,COOc1ccc(OCCCCc2ccccc2F)cc1CCCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.19452713
30430,COc1cc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)ccc1N,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.91783017
30431,COc1cc2c(cc1O)C1Cc3cccc(Cc4cccc(O)c4C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7011037
30432,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3cccc(C(F)(F)F)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.708126
30433,COc1ccc(OCCCN=S(C)(=O)O)cc1N1CCCC(Cc2ccc(OC3CCCCC3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.14068146
30434,COc1ccc(OCCCNC(=O)c2ccc(F)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.04452717
30435,COc1ccc(OCCF)cc1N1CCN(C(=O)c2ccc(SC)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.072915986
30436,COc1ccc(OCCN2CCCCC2)cc1C#N,[*]CCOc1ccc(O[*])c([*])c1,0.38268793
30437,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(Cc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.35054106
30438,COc1ccc(OCCSC(C)=O)cc1N1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1844708
30439,COc1cccc2c1CN1CCc3cc(C)c(-c4cccc(C)c4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6877754
30440,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(OC)CC2)cc1S(=O)(=O)O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.36507508
30441,COc1ccccc1C(=O)NCCOc1ccc(ON=S(C)(=O)O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.010054595
30442,COc1ccccc1N1CCCN(Oc2ccc(OCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.32518694
30443,COc1ccccc1N1CCCN(c2cc(OCCC(C)=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.17668948
30444,COc1ccccc1N1CCN(CCCOc2ccc(OC)c(S(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.94174767
30445,COc1ccccc1N1CCN(CCN2CCC(n3c(O)cc4cccc(F)c43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65787417
30446,COc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9086154
30447,COc1cccn1CCCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6123909
30448,CSOc1ccc(OCCNCc2cccc3ncccc23)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.18018055
30449,CSc1ccccc1N1CCN(CCN2CCC(c3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7548694
30450,Cc1cc(OCCN2CCC(Cc3ccc(F)cc3)CC2=O)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.24794354
30451,Cc1cc(OCCN2CCCC(Cc3ccc(F)cc3)C2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.51232165
30452,Cc1ccc(-c2ccc(C(=O)NCCN3CCN(O)CC3)cc2C)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.12969673
30453,Cc1cccc(CC2CCCN(CCOc3ccc(ON)c(C)c3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.49761814
30454,O=C(NCCCCN1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57193667
30455,O=C(NCSc1ccccc1)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35843328
30456,O=C1C=CC=C2C=CC=CC12c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.47956577
30457,O=S(=O)(NCCCCN1CCN(Cc2cccc(F)c2)CC1)c1ccc(F)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60268676
30458,O=c1oc2ccccc2c(=O)n1-c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5528455
30459,Oc1cc2c(cc1COc1ccccc1)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6734393
30460,Oc1cc2c(cc1NOCc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61702657
30461,Oc1cccc2c1CN1CCc3cc(-c4cc[nH]c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73377806
30462,CC(C)c1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccccc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67812514
30463,CCCCN1CCN(Cc2cccc(-c3oc(=O)cc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5082086
30464,CCCOc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72262245
30465,CCCOc1ccc(OC(=O)COc2ccccc2C)c(CN2CCCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14039949
30466,CCCOc1ccc(OCl)c(NC(=O)c2ccc3ccccc3c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03564806
30467,CCCOc1ccc(OCn2cnc(CCC)c2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.091222905
30468,CCCOc1ccc(ON2CCC(c3ccccc3OC)CC2)c(-c2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.44394
30469,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22191206
30470,CCCOc1ccc(ONS(C)(=O)=O)c(N2C=CC(=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2037587
30471,CCOc1ccccc1N1CCN(CCN2CCC(COc3ccccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7639933
30472,CCOc1ccccc1N1CCN(Oc2ccc(OCCNC=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29367262
30473,CCc1cc2c(cc1OC)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6514514
30474,CN=Cc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7078872
30475,CNCCOc1ccc(OC)c(CN2CCCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7600021
30476,COC(=O)NCCc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50751513
30477,COC1CCN(CCN2CCN(c3ccccc3-c3cc(O)c4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7218012
30478,COC1CCN(CCN2CCN(c3ccccc3-n3ccccc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5897829
30479,COCCCN1CCN(Cc2cccc(CN3C(=O)c4ccccc4C3C=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5697842
30480,COCCOc1ccc(OC)c(C2CCN(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32734212
30481,COc1cc(OCCNC(=O)Cc2ccccc2)ccc1ON1CCN(c2ccc(C(C)C)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.113195896
30482,COc1cc2c(cc1-c1c(O)ccc3ccccc13)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72853696
30483,COc1cc2c(cc1CNOc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7061592
30484,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)NCc4ccccc4Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4370421
30485,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)OCCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5020524
30486,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccccc1OCCF,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.34102127
30487,COc1ccc(OCCCN2CCN(C=O)CC2)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.5813263
30488,COc1ccc(OCCCS(=O)(=O)c2ccc(F)cc2)cc1OC1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.2014928
30489,COc1ccc(OCCN2CCC(C(=O)Cc3ccc(F)cc3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5093296
30490,COc1ccc(OCCN2CCC(c3ccc(F)cc3)CC2)cc1Br,[*]CCOc1ccc(O[*])c([*])c1,0.8310155
30491,COc1ccc(OCCNCCc2ccco2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1465977
30492,COc1ccc(OCCNS(=O)(=O)c2ccc(F)cc2)cc1N1CCC(C(=O)O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.15594307
30493,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCCC1Cc1ccc(OC2CCC(=O)NC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.2870264
30494,COc1cccc(CN2CCN(CCCc3ccccc3C(=O)c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4461692
30495,COc1cccc2c1CN1CCc3cc(-c4cccc(F)c4)c(C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62911195
30496,COc1ccccc1C1CCC(CNCCOc2ccc(OC)c(S(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.16130623
30497,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80147207
30498,COc1ccccc1N1CCN(CCN2CCC(Oc3cccc4ccc(O)nc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.818658
30499,COc1ccccc1N1CCN(CCN2CCC(c3cccc4nc(O)ccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8272393
30500,COc1ccccc1N1CCN(CCN2CCC(n3cc(C)c(-c4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7492514
30501,CS(=O)(=O)Oc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76467276
30502,CS(N)(=O)=NOc1ccc(OCCF)cc1CC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.28506202
30503,CSCCOc1ccc(ON2CCC(Cc3ccc(F)cc3)C2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33386317
30504,CSOc1ccc(OCCN2CCC(CCc3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6184518
30505,Cc1c2ccccc2c(O)n1-c1cccc(CN2CCN(CCCOC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.556283
30506,Cc1ccccc1N1CCN(CCN2CCC(n3nc(-c4ccccc4)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.62038416
30507,FC(F)(F)CCCN1CCN(Cc2cccc(-c3nc(-c4ccccc4)cs3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.548678
30508,N#Cc1ccccc1NC(=O)Oc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.30488688
30509,O=C(NCCCN1CCN(Cc2cccc(Cl)c2)CC1)c1cc2cccccc-2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.44485667
30510,O=C1CCCN1c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50491035
30511,O=C1N(CCCN2CCN(Cc3cccc(Cl)c3)CC2)CCN1c1cccc(Cl)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69726884
30512,O=[N+]([O-])CCCN1CCN(Cc2cccc(N3c4ccccc4CCS3(=O)=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5511558
30513,CCCOc1ccc(OC(=O)COc2ccccc2OC)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.050163206
30514,CCCOc1ccc(ON2CCC(Cc3ccc4c(c3)NC(=O)CCC4)CC2)c(OC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22888386
30515,CCCOc1ccc(ON2CCN(CCc3ccccc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6730925
30516,CCCOc1ccc(ONS(C)(=O)=O)c(C(O)CCc2ccc3c(c2)CCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12768781
30517,CCCOc1ccc(OS(C)(=O)=O)c(CC(C)COc2ccc3ccccc3c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10234183
30518,CCCOc1ccc(OS(C)(=O)=O)c(CC2Nc3ccccc3CC2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33444178
30519,CCCOc1ccc(OS(C)(=O)=O)c(CN2CCC(Oc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.44380105
30520,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(C3CCCC3F)=CC=C3C=CC(CC2)C3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27246237
30521,CCCc1ccc(Cc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77401054
30522,CCCn1cccc1-c1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74095494
30523,CCOc1ccccc1N1CCN(CCN2CCC(n3cccc3-c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80695957
30524,CCOc1ccccc1S(=O)(=O)NOc1ccc(OCCF)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.075129434
30525,COC1CCN(CCN2CCN(c3ccccc3-n3ccc(F)cc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6496189
30526,COc1cc2c(cc1CC=Cc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6928363
30527,COc1cc2c(cc1Cc1cccc(C#N)c1)CCN1Cc3c(cccc3Oc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64519554
30528,COc1cc2c(cc1N)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8597683
30529,COc1cc2c(cc1NC(C)=O)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32278407
30530,COc1cc2c(cc1O)C1Cc3cccc(CCNC(=O)c4ccc5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4954877
30531,COc1cc2c(cc1O)CCN1Cc3c(CNCc4ccccc4C#N)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6212488
30532,COc1cc2c(cc1O)CCN1Cc3c(Cc4c[nH]c5ccc(C#N)cc45)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72557414
30533,COc1cc2c(cc1O)CCN1Cc3c(cccc3NC(C)c3ccc(C#N)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4688675
30534,COc1cc2c(cc1O)CCN1Cc3c(cccc3NCc3cccc(F)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48543918
30535,COc1cc2c(cc1OC)C1Cc3cccc([N+](=O)c4ccc([N+](=O)[O-])cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5066527
30536,COc1ccc(COc2cc3c(cc2OCc2ccccc2)CCN2Cc4c(cccc4OC)CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70622706
30537,COc1ccc(OCCC(C)COc2ccc3c(c2)NC(=O)CC3)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2237534
30538,COc1ccc(OCCC(N)=O)cc1CC1CCc2ccc(F)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.29828054
30539,COc1ccc(OCCN2CCCC2=O)cc1CN1CCC(Cc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.52760303
30540,COc1ccc(OCCN2CCN(c3cccc(Cl)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.7939398
30541,COc1ccc(OCCNS(C)(=O)=O)cc1NCCc1ccc(C2CCNC2=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.13090815
30542,COc1ccc(OCCOC2CCCCC2)cc1CN1CCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.71211326
30543,COc1ccc(OCCS(C)(=N)=O)cc1N1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.26131895
30544,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(c2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.3026914
30545,COc1cccc(C#Cc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.80965626
30546,COc1cccc(N2CCN(CCNC(=O)c3ccc(OC)c(O)c3)CC2)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.72457004
30547,COc1cccc(NC2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8118068
30548,COc1ccccc1CN1CCN(CCOc2ccc(ON=S(C)(=O)O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3978223
30549,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(S)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7321547
30550,COc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3cccc4ccc(O)nc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6750529
30551,COc1ccccc1N1CCN(CCNC(=O)c2ccc(O)c(C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.87406725
30552,Cc1cc(OCCCN2CCC(Cc3ccc(F)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6501155
30553,Cc1cc(OCCN2CCC(Oc3ccc(C=O)cc3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.51952714
30554,Cc1cc(OCCN2CCCC(Cc3ccc(OC4CCCC4)cc3)C2)ccc1OCl,[*]CCOc1ccc(O[*])c([*])c1,0.41182217
30555,Cc1cc(OCCN2CCN(Cc3ccc(Cl)cc3)CC2)ccc1OS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.5105573
30556,Cc1cc(OCCN=S(C)(=O)O)ccc1ONCCc1ccc2c(c1)OC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.10529208
30557,Cc1cc(OCCNS(C)(=O)=O)ccc1OCCCc1cccc2c1CCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.21995513
30558,Cc1cccc(=O)n1-c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5823503
30559,FCCOc1ccccc1N1CCN(CCN2CCC(c3cnc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8158487
30560,N#Cc1ccccc1N1CCN(CCN2CCC(n3c(O)nc4cc(F)ccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8384611
30561,NC=NOc1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54522324
30562,O=c1cccc(CCCN2CCN(Cc3cccc(F)c3)CC2)o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64672506
30563,CCC(=O)c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5637836
30564,CCCNc1cc(OCCC)ccc1OOC,[*]CCOc1ccc(O[*])c([*])c1,0.071688704
30565,CCCOc1ccc(OF)c(CN2CCN(CC(=O)OC(C)=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18691868
30566,CCCOc1ccc(OF)c(N2CCN(C(C)=O)c3ccccc3C2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1790589
30567,CCOc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77350783
30568,CCOc1ccccc1NOc1ccc(OCCOC)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.070046574
30569,CCc1ccc(Cc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6782297
30570,CCc1cccc2c1CN1CCc3cc(O)c(CNc4cccc(C)c4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41717362
30571,CNC(=O)CN1CCN(Cc2cc(OCCF)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.11120053
30572,CNC(=O)c1cc(OCCNCc2ccccc2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.16099998
30573,CNCCOc1ccc(OCN2CCN(c3ccc(F)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.45311627
30574,CNS(=O)(=O)c1cc(OCCN2CCC(Oc3ccc(F)cc3)CC2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.62155485
30575,COC(=O)NOc1ccc(OCCNS(C)(=O)=O)cc1CN1CCC(Cc2ccc3ccc(OC)cc3c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23796858
30576,COC(=O)c1cc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.53367674
30577,COC1CCN(CCN2CCN(c3ccccc3-c3cc4ccccc4o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7741004
30578,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(C(F)(F)F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67553383
30579,COC1CCN(CCN2CCN(c3ccccc3Oc3ncc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.86246735
30580,COOc1ccc(OCCNCCCc2ccco2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.19614245
30581,COc1cc2c(cc1O)C1Cc3cccc(-c4cc(CO)ccc4C#N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6932203
30582,COc1cc2c(cc1O)C1Cc3cccc(C(=O)COc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49414876
30583,COc1cc2c(cc1O)C1Cc3cccc(CCc4ccccn4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7421455
30584,COc1cc2c(cc1O)C1Cc3cccc(CN4CCN(c5ccc(C)cc5)CC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59593827
30585,COc1cc2c(cc1O)CCN1Cc3c(cccc3OC3CCCCC3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7296542
30586,COc1ccc(OCCC(C)COc2ccccc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.07224615
30587,COc1ccc(OCCCc2ccc(F)cc2)cc1CN1CCN(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7104873
30588,COc1ccc(OCCN2CCC(NC(=O)c3ccc(SC)cc3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.50708026
30589,COc1ccc(OCCN=S(C)(=O)O)cc1N1C(=O)Cc2cc(CC3CCCCC3)ccc2C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.18805315
30590,COc1ccc(OCCNC(=O)Cc2ccc3c(c2)NC(=O)CC3)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.06201095
30591,COc1ccc(OCCNC2C(=O)CCc3ccc(CC(C)=O)cc32)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.1216394
30592,COc1ccc(OCCNCc2ccc(OC3CCCCC3)cc2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.18855709
30593,COc1ccc(S(=O)(=O)CCCOc2ccc(ONCc3ccc(SC)cc3)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.052304644
30594,COc1ccc2cc(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)cnc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73563105
30595,COc1cccc(C#Cc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.80204237
30596,COc1cccc(CN2CCN(CCCC3=CCC(=O)c4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5329889
30597,COc1cccc(CN2CCN(CCCc3ccc4cc(O)ccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5836187
30598,COc1cccc2c1CN1CCc3cc(-c4ccc5cccc(N=O)c5c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5884641
30599,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(OC)CC2)cc1C=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29475838
30600,COc1ccccc1CC1CCN(CCCOc2ccc(ON=S(C)(=O)O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5419769
30601,COc1ccccc1N1CCN(CCN2CCC(c3ccc(Cl)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8782764
30602,Cc1cc(OCCN2CCC(NC(=O)Cc3ccccc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.29694527
30603,Cc1cc(OCCN2CCc3ccccc3C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4098785
30604,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)CC(=O)CC3)ccc1OCN(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.041912667
30605,Cc1cccc2c1CN1CCc3cc(C(=O)Nc4ccccc4Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.29904813
30606,N#Cc1ccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69807756
30607,O=C(NCCCN1CCN(Cc2cccc(F)c2)CC1)c1cccs1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.37528145
30608,O=[N+]([O-])CCCN1CCN(Cc2cccc(CNS(=O)(=O)c3cccs3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5112851
30609,O=c1c2ccccc2ncn1C1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7815217
30610,OCc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.80733716
30611,Oc1cc2c(cc1C=Cc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71932065
30612,C#CC1=CCN(Oc2ccc(OCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.35786593
30613,C=Cc1ccccc1OC1CCN(c2cc(OCCS(N)(=O)=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29719907
30614,CC(=O)NOc1ccc(OCCNC(=O)Cc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.014204114
30615,CCCOc1ccc(OCCOc2ccccc2N2CCNCC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40896407
30616,CCCOc1ccc(OF)c(CN2CCC(S(=O)(=O)OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.41356114
30617,CCCOc1ccc(ON2CCN(c3cccc(C(F)(F)F)c3)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40628466
30618,CCN(Cc1ccccc1)Cc1cc2c(cc1O)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5946276
30619,CCN1CCN(c2ccccc2OC)CC1Oc1ccc(OCCF)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.359003
30620,CCOc1ccccc1C(=O)Nc1cc(OCCOC)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.024076356
30621,CCc1c(S(=O)(=O)Nc2cc(OCCF)ccc2OC)sc2ccccc12,[*]CCOc1ccc(O[*])c([*])c1,0.08015655
30622,CNC(=O)c1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5578085
30623,COC(=O)c1ccc(C2CCN(CCN3CCN(c4ccccc4F)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5705474
30624,COOc1ccc(OCCF)cc1Cc1cccc(NC=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09569802
30625,COOc1ccc(OCCN2CCC(CCC3=CC=C4CC(=O)COC(=C3)N4)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5297133
30626,COc1cc2c(cc1CO)CCN1Cc3c(cccc3OCc3ccco3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69951487
30627,COc1cc2c(cc1Cc1ccc(OC(F)(F)F)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7318473
30628,COc1cc2c(cc1O)C1Cc3cccc(C(C)OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77071047
30629,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccc(CSC)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66182137
30630,COc1cc2c(cc1OC)C1Cc3cccc(Cc4cc5ccccc5cc4C#N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7136448
30631,COc1cc2c(cc1OCc1ccc(C)cc1)CCN1Cc3c(CO)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6201475
30632,COc1cc2c(cc1OCc1ccc(C)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66017085
30633,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1cccc(Cl)c1[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3158414
30634,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccccc1C(C)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.37691492
30635,COc1ccc(OCCCN(C)S(C)(=O)=O)cc1N1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.21476293
30636,COc1ccc(OCCN2CCC(S(C)(=O)=O)CC2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5580937
30637,COc1ccc(OCCN=S(C)(=O)O)cc1CC1CCCN(CCc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.41785058
30638,COc1ccc(OCCS(N)(=O)=O)cc1N1CCC(Cc2ccc3occc3c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24445133
30639,COc1cccc(CN2CCN(CCCC3CCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.75248325
30640,COc1cccc(Nc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42009154
30641,COc1cccc2c1CN1CCc3cc(O)c(OCc4cccc(C#N)c4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6079532
30642,COc1ccccc1N1CCN(CCN2CCC(CNO)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.90730095
30643,COc1ccccc1N1CCN(CCN2CCC(c3ccc(N(C)C)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8394921
30644,CSc1cc(OCCCF)ccc1ON1CCC(NC(=O)c2ccc(S(C)(=O)=O)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.132914
30645,CSc1ccccc1N1CCN(CCN2CCC(Cc3cc(O)nc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6471092
30646,Cc1cc(OCCN2CCC(CCc3ccccc3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6157522
30647,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCC4)SC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.54488176
30648,Cc1cc(OCCN2CCC(Cc3ccc4ccccc4n3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5510144
30649,Cc1cc(OCCN=S(=O)(O)Cc2ccc(C(C)C)cc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.033791352
30650,Cc1cc(OCCNCCc2cccs2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16350661
30651,Cc1cc(OCCNS(=O)(=O)c2ccccc2)ccc1OOC(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.091802746
30652,Cc1cccc(-c2cc3c(cc2O)C2Cc4cccc(Oc5ccccc5)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6252
30653,Cc1cccc(N2CCN(CCNC(=O)c3ccc(O)c(C)c3)CC2)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.6367738
30654,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cccnn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65513784
30655,Clc1cccc(CN2CCN(CCCCOc3ccc4ccccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.73209286
30656,Clc1ccccc1N1CCN(CCN2CCC(Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79940546
30657,O=C(c1ccccc1)c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6104796
30658,O=C1CN(CCCN2CCN(Cc3cccc(Cl)c3)CC2)C(=O)N1c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61201036
30659,O=c1cc(-c2cccc(CN3CCN(CCCC(F)(F)F)CC3)c2)sc2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5920227
30660,OC(c1ccc(F)cc1)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7467277
30661,OC1CCN(CCN2CCN(c3ccccc3-c3cnc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7984761
30662,CC1CCN(CCN2CCN(c3ccccc3-c3nc(-c4ccc(F)cc4)cs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.63532114
30663,CCCOc1ccc(OCl)c(NS(=O)(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07492933
30664,CCCOc1ccc(ON2CCC(C(=O)c3ccc(F)cc3)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21283704
30665,CCCOc1ccc(OOC)c(CNc2ccccc2C(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.109617405
30666,CCCOc1ccc(OOC)c(N2CCC(c3cc(NC(C)=O)ccc3F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14743084
30667,CCCOc1ccc(OS(C)(=O)=O)c(NCCCC2CCC3=CC=C(F)C(O)=CC=C2C3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1972654
30668,CCCOc1ccc(OSC)c(CCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.079888515
30669,CCCOc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7790003
30670,CCOc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3cc(Cl)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7607297
30671,CCc1ccccc1N1CCN(CCN2CCC(n3cc(C)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67519504
30672,CNCCOc1ccc(OC)c(CC2CCN(S(C)(=O)=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1985285
30673,CNCc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64490426
30674,COC(=O)c1cccc(C2CCN(CCOc3ccc(OC)c(SC)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5536458
30675,COC1CCN(CCN2CCN(c3ccccc3-c3ncc(-c4ccccc4)[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7616729
30676,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3cc4ccccc4cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7147776
30677,COCCCN1CCN(Cc2cccc(-c3cc(-c4ccccc4OC)co3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.44454825
30678,COCCCN1CCN(Cc2cccc(NC(=O)C3CCCCC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.2918954
30679,COCCOc1ccc(OC)c(CN2CCN(c3cccc(Cl)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6763996
30680,COCCOc1ccc(OC)c(N2CCN(c3ccc(F)cc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3474805
30681,COc1cc2c(cc1O)C1Cc3cccc(-c4ccccc4OC(F)(F)F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6207954
30682,COc1cc2c(cc1O)C1Cc3cccc(C(=O)COc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46154088
30683,COc1cc2c(cc1O)CCN1Cc3c(cccc3NC(=O)Nc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.2866089
30684,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(OC(F)(F)F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.738383
30685,COc1cc2c(cc1OC)C1Cc3cccc(CNc4cccc(C)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5416909
30686,COc1cc2c(cc1OC)C1Cc3cccc(Oc4ccc(C)c(C)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6850665
30687,COc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(CO)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57234854
30688,COc1ccc(C(=O)NC2CCN(CCN3CCN(c4ccccc4O)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69828486
30689,COc1ccc(OCCCS(N)(=O)=O)cc1N1CCC(CCc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.36849725
30690,COc1ccc(OCCF)cc1CNC(=O)c1ccc2ccccc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.030261843
30691,COc1ccc(OCCN2CCC(Cc3ccccc3F)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.558413
30692,COc1ccc(OCCN2CCC(c3ccc(OC4CCNC4=O)c(CCCS)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.48677155
30693,COc1ccc(OCCN2CCC(c3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.7180688
30694,COc1ccc(OCCN2CCN(c3ccccc3OCC(C)C)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.8892165
30695,COc1ccc(OCCNC(C)=O)cc1CN1CC(c2ccc(F)cc2)CC2CCC1CC2,[*]CCOc1ccc(O[*])c([*])c1,0.13936116
30696,COc1ccc(OCCNS(=O)(=O)c2ccc(F)c(F)c2)cc1CN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.12867282
30697,COc1ccc(OCCS(C)(=O)=O)cc1-c1ccc(OCC(F)(F)F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.076864235
30698,COc1ccc(OCCS(C)(=O)=O)cc1CN1CCC(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5673218
30699,COc1ccc(OCCS(C)(=O)=O)cc1CN1CCCc2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.22907117
30700,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Cc2cccc3c2CCCCS3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3177607
30701,COc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3ccnc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.852093
30702,COc1ccccc1N1CCN(CCN2CCC(c3nc(C(F)(F)F)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7746107
30703,COc1ccccc1N1CCN(c2cc(OCCNC(=O)c3ccc4ccccc4c3)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.30264798
30704,COc1ccccc1S(=O)(=O)Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.52105725
30705,Cc1cc(OCCN2CCC(c3ccccc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.58002037
30706,Cc1cc(OCCNC(=O)COc2cccc(F)c2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.00870354
30707,Cc1cc(OCCc2ccc(F)cc2)ccc1ON1CCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31361797
30708,Cc1cccc(CN2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60676235
30709,Cc1ccccc1N1CCN(CCN2CCC(c3ccc4c(c3)NC(=O)CO4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6522912
30710,Cc1ccccc1N1CCN(CCN2CCC(n3c(O)nc(-c4ccccc4)c3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6715191
30711,O=C1Nc2ccccc2Cc2ccc(-c3cccc(CN4CCN(CCCCl)CC4)c3)cc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6506031
30712,O=CC1c2ccccc2C(=O)N1Cc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6338834
30713,Oc1cc(-c2cccc(CN3CCN(CCCCl)CC3)c2)c2ccccc2n1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6605366
30714,C=Cc1cccc(-c2cc3c(cc2OC)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6711209
30715,CC(C)Oc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80709946
30716,CC(C)c1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccc4)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78566396
30717,CCCCN1CCN(Cc2cccc(CN3c4ccccc4CC3C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6427562
30718,CCCOc1ccc(OC(=O)NCSc2ccccc2)c(C2CCN(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3974105
30719,CCCOc1ccc(OF)c(N2CCN(CCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7208867
30720,CCCOc1ccc(ON)c(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6692089
30721,CCCOc1ccc(ON)c(N2CCC(CCc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4376058
30722,CCCOc1ccc(ON2CCN(C(C)=O)C[SH]2CC)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09623332
30723,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCCC(Cc3ccc4c(c3)NC(=O)CC4)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.280742
30724,CCCOc1ccc(ON=S(C)(=O)O)c(OC2CCCN2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11796454
30725,CCCOc1ccc(ONC(=O)c2ccccc2OCC)c(C=NOC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.026420206
30726,CCCOc1ccc(OOC)c(CN2CCC(c3ccccc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.642101
30727,CCc1cc2c(cc1O)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6450377
30728,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccc4nccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65343654
30729,COCCCN1CCN(Cc2cccc(CNC(=O)NCc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.38286263
30730,COCCOc1ccc(OC)c(C(F)COc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12541713
30731,COCCOc1ccc(OC)c(CN2CCN(c3cccc(C(C)=O)n3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.42032054
30732,COc1cc(OCCF)ccc1ON1CC(C)CN(c2ccccc2OC)C1,[*]CCOc1ccc(O[*])c([*])c1,0.27324244
30733,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)NCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45103753
30734,COc1cc2c(cc1OC)C1Cc3cccc(Oc4ccc5cc(O)ccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71662366
30735,COc1ccc(-c2cc3c(cc2OC)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70009047
30736,COc1ccc(CNCCCOc2ccc(OC)c(S(C)(=O)=O)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.15446655
30737,COc1ccc(COc2cc3c(cc2OC)C2Cc4cccc(OCCF)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7893816
30738,COc1ccc(OCCC2(F)CCC(Nc3ccc(F)c(F)c3)CC2)cc1S(=O)(=O)N(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.09379111
30739,COc1ccc(OCCCCCc2ccc(F)cc2)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10501083
30740,COc1ccc(OCCN2CC(C)Cc3ccccc32)cc1[SH](C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.29646844
30741,COc1ccc(OCCN2CCC(Cc3cccccc4c(cc3)NC4=O)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.54960465
30742,COc1ccc(OCCN2CCC(c3noc4cc(F)ccc34)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.8276848
30743,COc1ccc(OCCN2CCCC2=O)cc1NS(=O)(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.124872975
30744,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCC(CCc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.23547526
30745,COc1cccc(CN2CCN(CCCn3cc(C(F)(F)F)ccc3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48656887
30746,COc1cccc2c1CN1CCc3cc(C)c(Cc4cccs4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5849172
30747,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(OC)CC2)cc1Br,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.39267218
30748,COc1ccccc1CN1CCN(CCOc2ccc(ON)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5794913
30749,COc1ccccc1N1CCN(Oc2ccc(OCCN=S(C)(=O)O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.16377106
30750,CSOc1ccc(OCCN2CCCC(COc3ccc4c(c3)NC(=O)CC4)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.53026044
30751,Cc1cc(OCCN2C=CC(=O)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.11587459
30752,Cc1cc(OCCN2CCC(c3ccccc3C)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.63385946
30753,Cc1cc(OCCN2CCN(c3cccc(CC(F)(F)F)c3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.68766326
30754,Cc1cc(OCCS(C)(=O)=O)ccc1ONCCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.10898294
30755,Cc1ccccc1N1CCN(CCN2CCC(n3c(O)cc(-c4c[nH]c5ccccc45)c3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6270576
30756,Cc1cn(C2CCN(CCN3CCN(c4ccccc4F)CC3)CC2)nc1-c1ccccc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.54172105
30757,ClC1CCN(CCN2CCN(c3ccccc3-n3ccc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6806333
30758,O=C(c1cccc(CN2CCN(CCCc3ccccc3)CC2)c1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6375969
30759,O=c1cc(-c2ccccc2)on1-c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54576886
30760,Oc1nc2cc(OC3CCN(CCN4CCN(c5ccccc5F)CC4)CC3)ccc2[nH]1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6343775
30761,C=CCc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7974401
30762,CC1(C)Cc2ccccc2N1C(=O)CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6788954
30763,CCCC(=O)c1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60792845
30764,CCCOc1ccc(ON2CC=C(C(=O)O)CC2)c(N2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15420844
30765,CCCOc1ccc(ON2CCCCC2)c(CC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10374848
30766,CCCOc1ccc(ON2CCN(c3ccc(F)c(C(=O)OC)c3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12677681
30767,CCCOc1ccc(OS(N)(=O)=O)c(C(C)OCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08372789
30768,CCCOc1ccc(OSC)c(CN2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7936391
30769,CCCOc1ccc(OSC)c(N2CCCC(CCc3ccc4c(c3)NC(=O)C(=O)C4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21101575
30770,CCOc1ccc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71513265
30771,COC1CCN(CCN2CCN(c3ccccc3-c3ccc4ncccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7812437
30772,COC1CCN(CCN2CCN(c3ccccc3NS(=O)(=O)c3cc4ccccc4s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5317088
30773,COCCCN1CCN(Cc2cccc(N3CC4OC=CC4CC3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5670315
30774,CON1CCN(CCNC(=O)c2ccc(-c3ccccc3Cl)c(C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.302305
30775,COOc1ccc(OCCCNCc2ccco2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.15834604
30776,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccccc1S(C)(=O)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32336885
30777,COc1cc2c(cc1C#Cc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69748026
30778,COc1cc2c(cc1N1CCCCC1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5261539
30779,COc1cc2c(cc1O)C1Cc3cccc([N+](=O)c4cccc(CO)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6705443
30780,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)c4ccccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5388719
30781,COc1cc2c(cc1OC)C1Cc3cccc(C=[N+](C)O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76953584
30782,COc1ccc(CC2CCN(CCOc3ccc(OS(N)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.5441407
30783,COc1ccc(OCCC(C)C)cc1CN1CCN(C(=O)c2ccc(S(C)(=O)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.048775952
30784,COc1ccc(OCCF)cc1N1CCC(Cc2ccccc2OC2CCCCN2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.30845425
30785,COc1ccc(OCCN2CCC(C(F)F)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.55648226
30786,COc1ccc(OCCNC(=O)Cc2ccc3ccccc3c2)cc1COS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.021558257
30787,COc1ccc(OCCOS(C)(=O)=O)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.070686884
30788,COc1ccc2[nH]cc(-c3cc4c(cc3Cl)C3Cc5cccc(O)c5CN3CC4)c2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6229279
30789,COc1ccccc1-c1cc(C(=O)NCCN2CCN(C)CC2)ccc1-c1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3436416
30790,COc1ccccc1N1CCN(CCN2CCC(Cc3ccc4ncccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7934002
30791,COc1ccccc1N1CCN(CCN2CCC(Cn3cnc(-c4ccccc4O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7551676
30792,COc1ccccc1NC(=O)c1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3465475
30793,CSc1ccc(C2CCN(Oc3ccc(OCCCS(N)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.25765717
30794,Cc1cc(OCCN2CCC(c3ccccc3)=CC2=O)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.25460953
30795,Cc1cc(OCCN2CCCC(Cc3ccc4c(c3)OCC(=O)N4)C2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2987225
30796,Cc1cc(OCCNC2CCC(Oc3ccccc3C3CCCCC3)C2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.15984823
30797,Cc1cc(OCCNCc2ccc(OC3CCNC3)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16723949
30798,Cc1cc(OCCNS(=O)(=O)c2cccc(C(C)C)c2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.0805827
30799,Cc1cc(OCCS(N)(=O)=O)ccc1ON1CCCC(Cc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2522069
30800,Cc1ccc2c(c1)N(c1cccc(CN3CCN(CCCCl)CC3)c1)S(=O)(=O)C2,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67776656
30801,Cc1cccc(CN2CCN(CCCN3c4ccccc4CC3C)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69572115
30802,Cc1cccc2c1CN1CCc3cc(-c4cccc(C#N)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5198376
30803,Fc1ccc(-c2cccc(CCCN3CCN(Cc4cccc(F)c4)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67241806
30804,Fc1cccc(CN2CCN(CCCc3ccc(S)nc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62806416
30805,N#Cc1cccc(-c2cccc3c2CN2CCc4cc(O)c(CO)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49600023
30806,NOc1ccc(OCCNCCc2ccc3c(c2)SC(=O)CC3)cc1C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.14365427
30807,O=C1Cc2ccccc2C(CCCN2CCN(Cc3cccc(Cl)c3)CC2)O1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7067698
30808,O=Cc1ccn(CCCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6332558
30809,Oc1cc2c(cc1Cl)C1Cc3cccc(C=NOCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72430265
30810,CC(=O)c1cccc(NC2CCC(NCCOc3ccc(ON)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.02670584
30811,CC(=O)c1cccc(OCCCCOc2ccc(ON=S(N)(=O)O)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.053737134
30812,CC(=O)c1cccc2c1CN1CCc3cc(O)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5458629
30813,CC1CCN(CCN2CCN(c3ccccc3S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.60039586
30814,CCCOc1ccc(OOC)c(N2CCC(Cc3ccc(F)cc3)C(C)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3578506
30815,CCN1CCC(Oc2cc(OCCCS(=O)(=O)c3ccccc3F)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.47625402
30816,CCOc1ccc2c(c1)CC(OOc1ccc(OCCS(C)(=O)=O)cc1C)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.28458598
30817,CCc1cc2c(cc1OC)C1Cc3cccc(OCc4ccc5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.665336
30818,COC(=O)NCCCN1CCN(Cc2cccc(-c3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4010087
30819,COC(=O)NCCOc1ccc(OC)c(N2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24968615
30820,COC(=O)c1ccc(C2CCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.46652988
30821,COC1CCN(CCN2CCN(c3ccccc3-n3cc(-c4cccs4)nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6717521
30822,COCCOc1ccc(OF)c(CN2CCCN(c3cccc(C(F)(F)F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.60599947
30823,COCCOc1ccc(ONCCc2cccc(NC(=O)c3ccccc3)c2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.030453479
30824,CON1CCN(CCNC(=O)c2ccc(Br)c(-c3ccccc3C#N)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.38497669
30825,COOc1ccc(OCCCF)cc1CN1CCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8061397
30826,COc1c(-c2cccc(CN3CCN(CCCC(F)(F)F)CC3)c2)ccc2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5481675
30827,COc1cc2c(cc1C)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6733761
30828,COc1cc2c(cc1C)CCN1Cc3c(cccc3C[N+](=O)[O-])CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52849394
30829,COc1cc2c(cc1O)C1Cc3cccc(C(=O)c4cccc5cc(CO)ccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51580787
30830,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)Nc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39917463
30831,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(C)c(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59765095
30832,COc1cc2c(cc1OC)C1Cc3cccc(CNCCO)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6469144
30833,COc1ccc(C(=O)NCCN2CCN(c3ccc(O)o3)CC2)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.42516407
30834,COc1ccc(OCCC(F)(F)COc2ccccc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.066823006
30835,COc1ccc(OCCCN2CCC(c3ccccc3)CC2)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.68518037
30836,COc1ccc(OCCCN=O)cc1N1CCCN(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.16692442
30837,COc1ccc(OCCN2CCCC(Oc3ccc(C(C)=O)cc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.30063263
30838,COc1ccc(OCCN=S(C)(=O)O)cc1NC(=O)Cc1ccc2c(c1)OC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.05875595
30839,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1NC(=O)C1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.053707793
30840,COc1ccc(OCCNS(=O)(=O)c2ccc(F)c(F)c2)cc1SC1CCC(=O)NC1,[*]CCOc1ccc(O[*])c([*])c1,0.11689083
30841,COc1ccc(OCCNS(C)(=O)=O)cc1CN1CCC(C(=O)c2ccc(SC)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.34069705
30842,COc1ccc(OCCS(C)(=O)=O)cc1NC(=O)Cc1ccc(OC2CCCCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.022858962
30843,COc1cccc(C2CCN(CCOc3ccc(OS(=O)(=O)O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6441669
30844,COc1cccc(CN2CCN(CCCc3cccc4sc(C(N)=O)cc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4915948
30845,COc1cccc2c1CN1CCc3cc(OCc4ccccc4C#N)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6564289
30846,COc1ccccc1N1CCN(CCN2CCC(c3ccc4c(c3)NC(=O)CO4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83156353
30847,Cc1cc(OCCCC(=O)c2ccc(F)cc2)ccc1ONC1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.114798
30848,Cc1cc(OCCN2CCC(Cc3ccc4ccccc4c3)C(=O)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.49590778
30849,Cc1cc(OCCN2CCN(Cc3ccc(Cl)cc3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5103564
30850,Cc1cc(OCCNCCc2ccccc2)ccc1ON=S(C)(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1467921
30851,Cc1ccccc1N1CCN(CCN2CCC(c3nnc(-c4ccccc4)o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6022971
30852,N#Cc1cccc(-c2cccc3c2CN2CCc4cc(OCc5ccccc5)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.485201
30853,O=C(NCc1ccccc1)Nc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3611028
30854,OCCc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.83985984
30855,Oc1cc2c(cc1-c1ccc[nH]1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6894235
30856,Oc1cccc2c1CN1CCc3cc(CNc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5333669
30857,C=Cc1cccc2c1CN1CCc3cc(OC)c(OCc4ccc(CO)cc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.613387
30858,CC(=O)N(CCCCN1CCN(Cc2cccc(Cl)c2)CC1)C1CCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6208126
30859,CC(=O)NC1(c2cccc(CN3CCN(CCCCl)CC3)c2)CCc2ccccc2C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5463637
30860,CC(=O)NCCOc1ccc(ON2CCN(c3ccccc3OC(C)C)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32489842
30861,CC(=O)c1cccc(C(=O)N2CCN(COc3ccc(OCCF)cc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12282396
30862,CC(O)c1ccccc1N1CCN(CCN2CCC(c3ccc(O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68039274
30863,CCCNc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4774247
30864,CCCOc1ccc(OCN2CCN(C(C)=O)C[SH]2CC)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09781381
30865,CCCOc1ccc(OF)c(CN2CCN(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5993576
30866,CCCOc1ccc(ONC(C)=O)c(C(O)CCc2ccc3c(c2)NCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12772033
30867,CCCOc1ccc(ONS(C)(=O)=O)c(NCC2CCc3c(ccc(OC)c3OCC)O2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23344792
30868,CCCOc1ccc(OOC)c(CC2CCCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19509006
30869,CCCOc1ccc(OS(N)(=O)=O)c(CNc2ccccc2Cl)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10359996
30870,CCCOc1ccc(OS(N)(=O)=O)c(N2CCN(c3ccccc3OCC(C)C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30664888
30871,CCN(Cc1ccccc1)C(=O)Nc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.2869867
30872,CCOc1ccccc1-c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61704457
30873,CCOc1ccccc1N1CCN(Oc2ccc(OCCCO)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21054132
30874,CCc1cc2c(cc1-c1cccc3ccccc13)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6213646
30875,COC(=O)c1cccc2c1CN1CCc3cc(OCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4485707
30876,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3cccc(C)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7219076
30877,COOc1ccc(OCCNCCc2ccc3ccccc3c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.2633373
30878,COc1cc(C(=O)NCCN2CCN([N+](=O)[O-])CC2)ccc1-c1ccc(O)o1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.12852442
30879,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)c3ccc(CO)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59194416
30880,COc1cc2c(cc1OC)C1Cc3cccc(C4(O)CCN(Cc5ccc(C)cc5)CC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5841104
30881,COc1ccc(OCCC(N)=O)cc1N1CCC(Oc2cccc(F)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22212537
30882,COc1ccc(OCCN2CCC(NC(C)=O)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.559661
30883,COc1ccc(OCCN2CCC(Oc3ccc4ccc(C)cc4c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.37288436
30884,COc1ccc(OCCN2CCN(c3ccc(C(C)=O)cc3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.63940835
30885,COc1ccc(OCCN=S(C)(=O)O)cc1NCOc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.059285905
30886,COc1ccc(OCCS(C)(=O)=O)cc1OC(=O)CCc1ccc2c(c1)CC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.11124909
30887,COc1ccc2c(C(=O)Nc3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)cccc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.41020024
30888,COc1cccc2c1CN1CCc3cc(-c4ccc(F)cc4F)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7372707
30889,COc1cccc2c1CN1CCc3cc(-c4cccc(C[N+](=O)[O-])c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49596772
30890,COc1cccc2c1CN1CCc3cc(NC(=O)Nc4ccccc4Cl)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.33486775
30891,COc1cccc2c1CN1CCc3cc(OCc4ccccc4)c(OC(=O)Nc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32347807
30892,COc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3ccc(O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7548585
30893,Cc1cc(OCCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.0375093
30894,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(Oc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2636202
30895,Cc1cc(OCCS(C)(=O)=O)ccc1ONC(C)Cc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.08434267
30896,Cc1ccc(OC2CCN(CCCOc3ccc(ON=S(C)(=O)O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.49631166
30897,Cc1ccccc1N1CCN(CCN2CCC(c3ccc(N(C)C)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6950605
30898,Clc1cccc(CN2CCN(CCCc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.81563103
30899,N#CC1CCN(CCN2CCN(c3ccccc3-c3cnc(O)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7427776
30900,NC(=O)c1cc2cc(-c3cc4c(cc3Cl)C3Cc5cccc(O)c5CN3CC4)ccc2[nH]1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4388965
30901,O=C(Nc1cccc(CN2CCN(CCCCl)CC2)c1)c1cc2ccccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3849228
30902,O=C(Nc1cccc(Cl)c1)Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.24658589
30903,Oc1cc2c(cc1Cl)CCN1Cc3c(C#Cc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76808244
30904,Oc1cccc2c1CN1CCc3cc(-c4cccc(Br)c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6383778
30905,Oc1cccc2c1CN1CCc3cc(CN4CCCCC4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5328533
30906,[O-]c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6807443
30907,CC(=O)Nc1cccc(-c2cccc(CN3CCN(CCCC(F)(F)F)CC3)c2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.27456805
30908,CC(O)=[SH]CCOc1ccc(ON2CCC(Cc3ccc(F)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2713381
30909,CCCCN1CCN(Cc2cccc(-c3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62326336
30910,CCCOc1ccc(OC=O)c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2415535
30911,CCCOc1ccc(OCN2CCN(c3ccccc3OCC)CC2)c(N)c1,[*]CCOc1ccc(O[*])c([*])c1,0.78207535
30912,CCCOc1ccc(OF)c(N2CCC(CNc3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19260289
30913,CCCOc1ccc(ON2CCCC(CCc3ccc(F)cc3)C2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3250946
30914,CCCOc1ccc(ONS(C)(=O)=O)c(CCCc2ccc(C3CCNCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17162575
30915,CCCOc1ccc(OOC)c(N2CCN(C(CC)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2857526
30916,CCCOc1ccc(OSC)c(NS(=O)(=O)c2ccccc2C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.086747564
30917,CCCOc1ccc(O[SH](C)(N)=O)c(N2CCC(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28144127
30918,CCN1CCCC(c2cc(OCCS(C)(=O)=O)ccc2OC)C1,[*]CCOc1ccc(O[*])c([*])c1,0.33284664
30919,CCOCCOc1ccc(OC)c(CNc2ccccc2OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08280331
30920,CNc1ccc(OC)c(C(=O)NCc2cc(OCCF)ccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.014345268
30921,COC(=O)CN1CCN(Cc2cc(OCCCC(=O)c3ccc(F)cc3)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2309051
30922,COC1CCN(CCN2CCN(c3ccccc3-c3cc(-c4cccnc4)ccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73725146
30923,COCCCN1CCN(Cc2cccc(CC(=O)N3C(=O)c4ccccc4C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53740156
30924,COCN1CCN(CCNC(=O)c2ccc(OC)c(-c3ccccc3OC)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32644296
30925,COc1cc2c(cc1C(=O)NCc1cccc(C(F)(F)F)c1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4860375
30926,COc1cc2c(cc1C(=O)Nc1ccccc1C)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.30559516
30927,COc1cc2c(cc1Cc1ccc(C)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6366361
30928,COc1cc2c(cc1O)C1Cc3cccc(-c4cc(CO)c5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6831637
30929,COc1cc2c(cc1O)C1Cc3cccc([N+]c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.716676
30930,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc(C=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6280273
30931,COc1cc2c(cc1OC)C1Cc3cccc(OC(=O)NCCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35579184
30932,COc1ccc(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1-c1cccc(Cl)c1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2490196
30933,COc1ccc(COc2cc3c(cc2OC)CCN2Cc4c(cccc4-c4ccncc4)CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5821511
30934,COc1ccc(OCCCN2CCC(Cc3ccccc3)CC2)cc1S(=O)(=O)[O-],[*]CCOc1ccc(O[*])c([*])c1,0.46167853
30935,COc1ccc(OCCN)cc1CN1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6999717
30936,COc1ccc(OCCS(C)(=O)=O)cc1CCOc1ccc2c(c1)NCC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.23350479
30937,COc1ccc(OCCS(C)(=O)=O)cc1NC(=O)CCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.008047098
30938,COc1ccc(OCCS(N)(=O)=O)cc1C(C)COc1ccc(CF)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.04651723
30939,COc1cccc(CCOc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7233652
30940,COc1ccccc1N1CCN(CCN2CCC(CC3CCc4ccc(O)cc4N3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78249705
30941,COc1ccccc1N1CCN(CCN2CCC(Oc3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8257734
30942,COc1ccccc1N1CCN(COc2ccc(OCCN=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.59732175
30943,CSc1cccc(CN2CCN(Oc3ccc(OCCF)cc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5552295
30944,CSc1ccccc1N1CCN(CCN2CCC(N(C)Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8001329
30945,Cc1cc(OCCF)ccc1OCN1CCN(C=O)CC1Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.28827816
30946,Cc1cc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.6430262
30947,Cc1cc(OCCNCc2ccccc2)ccc1OC(=O)S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.15095586
30948,Cc1cc(OCCNS(C)(=O)=O)ccc1OCCOc1ccc(C2CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.15833978
30949,Cc1ccccc1N1CCN(CCN2CCC(c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7212174
30950,Clc1cccc(CN2CCN(CCCc3nc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7297721
30951,O=C1c2ccccc2CCN1c1cccc(CN2CCN(CCC[N+](=O)[O-])CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5812943
30952,O=S1(=O)C=C(CCCN2CCN(Cc3cccc(F)c3)CC2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5672693
30953,Oc1cccc2c1CN1CCc3cc(-c4ccc(F)cc4F)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69066006
30954,Oc1cccc2c1CN1CCc3cc(-c4ccc(O)c5[nH]ccc45)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6172902
30955,Oc1cccc2c1CN1CCc3cc(Nc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.518493
30956,Sc1nc2cc(-c3cccc(CN4CCN(CCCCl)CC4)c3)ccc2[nH]1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6220865
30957,CC(=O)c1cc2c(cc1O)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4841823
30958,CC(C)c1ccccc1N1CCN(CCN2CCC(c3nc(O)nc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6978886
30959,CC1=CCc2ccccc2N1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7367947
30960,CC1CCN(CCN2CCN(c3ccccc3-c3cc(-c4ccccc4)cnc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7267221
30961,CC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccc(C#N)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.3941286
30962,CCCN1CCCC(c2cc(OCCN=S(C)(=O)O)ccc2OC)C1,[*]CCOc1ccc(O[*])c([*])c1,0.4234407
30963,CCCOc1ccc(OF)c(C2CCCN(CCC)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.58383507
30964,CCCOc1ccc(ON2CCN(c3ccccc3OCC)CC2)c(C(N)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26680812
30965,CCCOc1ccc(ONC(C)=O)c(N2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24886915
30966,CCCOc1ccc(ONS(C)(=O)=O)c(SNc2ccccc2OCC(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06162544
30967,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3ccccc3CC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28632268
30968,CCCOc1ccc(OSC)c(N2CCC(COc3ccccc3C(F)(F)F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36385712
30969,CCOc1ccc(F)cc1S(=O)(=O)NCCOc1ccc(ON)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0636766
30970,CCOc1ccccc1N1CCN(CCN2CCC(Oc3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83426857
30971,CNOc1ccc(OCCNC(=O)COc2ccccc2C)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.014132691
30972,COC(=O)c1ccccc1N1CCN(CCN2CCC(c3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66493917
30973,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)C3CCc4ccccc4C3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7119603
30974,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3cccc4c3Cc3ccccc3C4=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.40563807
30975,COC1CCN(CCN2CCN(c3ccccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77156746
30976,COCCCN1CCN(Cc2cccc(-c3ccccc3C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60968995
30977,CONC(=O)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42890966
30978,COc1cc2c(cc1Cc1ccc(C#N)cc1)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6933533
30979,COc1cc2c(cc1Cl)C1Cc3cccc(CO)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7997402
30980,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(C(C)=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5343341
30981,COc1cc2c(cc1O)C1Cc3cccc(-c4cccc5ccc(C=O)cc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73047006
30982,COc1cc2c(cc1O)C1Cc3cccc(C(=O)N(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6308203
30983,COc1cc2c(cc1O)C1Cc3cccc(OC(=O)c4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49113154
30984,COc1cc2c(cc1O)CCN1Cc3c(C#Cc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8449898
30985,COc1cc2c(cc1OC)C(NCCOc1ccc(ONS(C)(=O)=O)c(C)c1)CCC2,[*]CCOc1ccc(O[*])c([*])c1,0.21615781
30986,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc(S(C)(=O)=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5522051
30987,COc1ccc(Br)c(C2CCN(CCN3CCN(c4ccccc4OC(C)C)CC3)CC2)c1OC,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82312626
30988,COc1ccc(OCCCC2CCCN2)cc1NS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.15359691
30989,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(CCc2ccc3c(c2)CC(=O)CC3)CC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.3776493
30990,COc1cccc2c1CN1CCc3cc(-c4cc[nH]c4C#N)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7909414
30991,COc1ccccc1N1CCN(CCN2CCC(CNS(=O)(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82865304
30992,CSC1CCN(CCN2CCN(c3ccccc3-n3c(O)nc4ccc(F)cc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6820447
30993,Cc1cc(OCCF)ccc1ONS(=O)(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.09100561
30994,Cc1cc(OCCN2CCC(Cc3ccc(F)cc3)CC2CF)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.23804487
30995,Cc1cc(OCCN2CCC(Cc3ccc(S(C)(=O)=O)cc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.45931715
30996,Cc1cc(OCCNC(=O)C2CCNCC2)ccc1ONCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.05358344
30997,Cc1cc(OCCNC(=O)COc2ccc3c(c2)NC(=O)CC3)ccc1ON1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.09258881
30998,Cc1cc(OCCNCc2ccccc2)ccc1OOS(C)(=N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.26045576
30999,Cc1cc(OCCSCCCc2ccc3c(c2)NC(=O)CC3)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2098349
31000,Cc1cc(OCCc2ccc(F)cc2)ccc1OCNCC1CCc2ccccc2O1,[*]CCOc1ccc(O[*])c([*])c1,0.39159462
31001,Cc1cc2c(cc1C=Cc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6137659
31002,Cc1ccccc1N1CCN(CCN2CCC(c3nc(-c4ccccc4)ccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.654092
31003,Cc1cn(Cc2cccc(CN3CCN(CCCCl)CC3)c2)c(=O)oc1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5771731
31004,O=c1sc(CCCN2CCN(Cc3cccc(Cl)c3)CC2)cc2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.660335
31005,Oc1cc2cc(Cl)ccc2n1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7868996
31006,Oc1ccc2ccc(OC3CCN(CCN4CCN(c5ccccc5Cl)CC4)CC3)cc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73592955
31007,Oc1cccc2c1CN1CCc3cc(Cc4cc5ccccc5[nH]4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6167104
31008,C#Cc1ccc(COc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69366467
31009,CCCOc1ccc(ON2CCC(C)CC2)c(OC(=O)Cc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18781039
31010,CCCOc1ccc(ON2CCC(c3ccccc3)CC2)c(NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13793974
31011,CCCOc1ccc(ON2CCCN(c3ccccc3OCC(F)(F)F)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32828256
31012,CCCOc1ccc(ON=S(C)(=O)O)c(NC(=O)COc2cccc(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.007645893
31013,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCCC(c3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2741951
31014,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)c2ccc(OCC3CCCCN3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07190048
31015,CCCc1ccc(OC2CCN(CCOc3ccc(OOC)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.56728655
31016,CCOc1ccccc1N1CCN(CCN2CCC(Cc3ccc4ccc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7129632
31017,CCOc1ccccc1NCc1cc(OCCN=S(C)(=O)O)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.03560708
31018,COC1CCN(CCN2CCN(c3ccccc3-n3c(O)cc4ccc(F)cc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78448373
31019,COC1CCN(CCN2CCN(c3ccccc3CCc3cc(O)nc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66117084
31020,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4ccnc(O)c4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78485173
31021,COCCCN1CCN(Cc2cccc(CC3CCCCC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6003402
31022,COCCOc1ccc(OC)c(C(F)COc2ccccc2N2CCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28912517
31023,COCCOc1ccc(OC)c(CCNC(=O)c2ccccc2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.025283745
31024,COCc1cccc(-c2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65857524
31025,COc1c(C)cccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2063196
31026,COc1cc2c(cc1Cc1cccc(F)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77887446
31027,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(COC(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6862507
31028,COc1cc2c(cc1O)CCN1Cc3c(COc4ccncc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7696389
31029,COc1cc2c(cc1OC(C)c1ccccc1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5682736
31030,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccc(Cl)cc1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2752738
31031,COc1ccc(OCCC=O)cc1CN1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.52869225
31032,COc1ccc(OCCCCNC(=O)c2cccc(C3CCCN(C)C3)c2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.3273524
31033,COc1ccc(OCCCN=S(C)(=O)O)cc1CC1CCN(CCc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5912101
31034,COc1ccc(OCCF)cc1CN1CCN(c2ccccc2OC)C(=O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.3750671
31035,COc1ccc(OCCF)cc1NS(=O)(=O)Cc1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07645678
31036,COc1ccc(OCCN(C)C)cc1NC(=O)COc1ccc(C(F)(F)F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.015537585
31037,COc1ccc(OCCN2CCN(C(=O)c3cccc(C4CCCCC4)c3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.26093385
31038,COc1ccc(OCCNCc2ccccc2)cc1S(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.26658392
31039,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(CCc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.33447587
31040,COc1ccc2c(c1)N(CC(=O)c1cc(OCCCF)ccc1OC)CCC2,[*]CCOc1ccc(O[*])c([*])c1,0.23845403
31041,COc1cccc(CN2CCN(CCCCNC(=O)c3cccc(C4CC4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61464
31042,COc1cccc2c1CN1CCc3cc(C(=O)NCc4cccc(C)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42426217
31043,COc1ccccc1N1CCN(CCN2CCC(C3=NC=C(F)C=CC(F)(F)C=C3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72250915
31044,Cc1cc(OCCN2CCC(Nc3ccc(F)cc3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.517825
31045,Cc1cc(OCCN=S(C)(=O)O)ccc1ONC(=O)Cc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.017536541
31046,Cc1cc(OCCNc2ccccc2OCC(C)C)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.047408093
31047,Cc1ccccc1N1CCN(CCN2CCC(c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7507679
31048,Cc1ccccc1N1CCN(CCN2CCC(c3ccc4cccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6804407
31049,Clc1ccccc1N1CCN(CCN2CCC(c3ccncn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7483257
31050,FC(F)(F)CCCN1CCN(Cc2cccc(CNc3ccccn3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5308704
31051,FC(F)(F)c1ccccc1N1CCN(CCN2CCC(CNc3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84955835
31052,N#Cc1ccccc1-c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68167204
31053,O=Cc1ccccc1N1CCN(CCN2CCC(c3cnccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75902027
31054,O=S(=O)(NCCCCN1CCN(Cc2cccc(Cl)c2)CC1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65164906
31055,O=c1ncc(F)cn1C1CCN(CCN2CCN(c3ccccc3CC3CC3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76767164
31056,OCc1cc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c[nH]1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.81794065
31057,Oc1cc2c(cc1O)C1Cc3cccc(C=CNOCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64713883
31058,CC(C)c1cccc(S(=O)(=O)C2CCN(CCCc3cc(OCCF)ccc3ONS(C)(=O)=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.64819217
31059,CC1(C)C(=O)N(CCCN2CCN(Cc3cccc(Cl)c3)CC2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.45299074
31060,CC1(C)Cc2ccccc2N(C(=O)CCCN2CCN(Cc3cccc(Cl)c3)CC2)C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6890861
31061,CC1Cc2ccccc2N1C(=O)c1cccc(CN2CCN(CCCC(C)(C)C)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6399065
31062,CCCC(=O)NCc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34091753
31063,CCCOc1ccc(OC(=O)OC)c(N2CCC(Nc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1910507
31064,CCCOc1ccc(OC)c(S(=O)(=O)NC2CCN(C(=O)c3cccc(Cl)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08310718
31065,CCCOc1ccc(ON)c(NC(=O)c2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.025732497
31066,CCCOc1ccc(ON2CCN(c3ccccc3OC(C)C)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4119393
31067,CCCOc1ccc(ON=S(C)(=O)O)c(CNC(=O)c2ccc(Cl)c(Cl)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.018149037
31068,CCOc1ccccc1C1CCN(c2cc(OCCS(=O)(O)=NC)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2067418
31069,CCOc1ccccc1N1CCN(CCOc2ccc(OC)c(OS(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8634718
31070,CCc1cccc2c1CN1CCc3cc(O)c(OCc4ccc(CO)cc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66086173
31071,CN1CCN(CCNC(=O)c2ccc(Cl)c(-c3cccc(Cl)c3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32327607
31072,COC1CCN(CCN2CCN(c3ccccc3-n3cc(Br)nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74555343
31073,COC1CCN(CCN2CCN(c3ccccc3Oc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9371278
31074,COCCCN1CCN(Cc2cccc(CNC(=O)c3ccco3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.38520294
31075,CON1CCN(CCNC(=O)c2ccc(C(=O)c3ccccc3)c(O)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.38618684
31076,COOc1ccc(OCCS(=O)c2ccccc2CCCF)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.13623326
31077,COc1cc2c(cc1CO)C1Cc3cccc(CN(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6613572
31078,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(C(=O)N(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47750574
31079,COc1ccc(-c2csc(C3CCN(CCN4CCN(c5ccccc5Cl)CC4)CC3)n2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8127232
31080,COc1ccc(OCCC2(O)CCC(NC(=O)c3ccc(F)cc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08633131
31081,COc1ccc(OCCCCCc2ccc3c(c2)NC(=O)CC3)cc1N(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.26983002
31082,COc1ccc(OCCF)cc1CN1CCN(C(=O)c2ccc(C(C)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.071434826
31083,COc1ccc(OCCN2CCC(Cc3ccc(F)cc3)C2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.47519043
31084,COc1ccc(OCCN2CCC(S(=O)(=O)c3cccc(F)c3)CC2)cc1C(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.63518935
31085,COc1ccc(OCC[SH](N)(=O)C=O)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.06804914
31086,COc1cccc2c1CN1CCc3cc(C)c(NC(=O)Cc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.21493554
31087,COc1ccccc1C(=O)NC1CCN(CCN2CCN(c3ccccc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.61350965
31088,COc1ccccc1CN1CCN(CCOc2ccc(OC)c(OC)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6544805
31089,COc1ccccc1Cc1cccc2c1CN1CCc3cc(O)c(CO)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66138935
31090,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc(N)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80598766
31091,COc1ccccc1N1CCN(CCN2CCC(c3cc4cc(F)ccn4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.852537
31092,Cc1cc(OCCCCCc2ccccc2)ccc1OCN1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.39537624
31093,Cc1cc(OCCN2CCCC(Cc3ccc(F)cc3)C2)ccc1OS(C)(=O)=CN,[*]CCOc1ccc(O[*])c([*])c1,0.4094626
31094,Cc1cc(OCCN2CCCC(Cc3ccc4c(c3)NC(=O)CC4)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.46291357
31095,Cc1cc(OCCNC(=O)COc2cccc(F)c2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.019359352
31096,Cc1cc(OCCNS(=O)(=O)c2ccccc2)ccc1ON1CCC(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.232896
31097,Cc1ccc(OCC(=O)NOc2ccc(OCCNS(C)(=O)=O)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.012227959
31098,FC(F)(F)c1ccc(CCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6770439
31099,Fc1cccc(CN2CCN(CCCCc3cccnc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63197607
31100,N#Cc1cccc(C(=O)c2cccc3c2CN2CCc4cc(Cl)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.511304
31101,NCc1ccc2c(c1)c(-c1ccc(F)cc1)cn2C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7528871
31102,O=C1Cc2ccccc2N1CCCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.8398139
31103,O=S(=O)(c1cccc(F)c1)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65245885
31104,O=c1[nH]c2ccccc2c(=O)n1CCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.45419532
31105,Oc1ccc2cc(OC3CCN(CCN4CCN(c5ccccc5Cl)CC4)CC3)ccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7094106
31106,CC1Cc2ccccc2N1CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6688179
31107,CCC(O)c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74445146
31108,CCCOc1ccc(OC)c(CN2CCN(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6559218
31109,CCCOc1ccc(OCN2CCC(c3ccc(F)cc3)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.51574945
31110,CCCOc1ccc(ONC(=O)Cc2ccc(F)cc2)c(N(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.02696245
31111,CCCOc1ccc(OOC)c(CN2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8835642
31112,CCCOc1ccc(OOC)c(NC(=O)c2ccc(CCCF)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.035307504
31113,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3ccc(OCC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2600433
31114,CCCOc1ccc(Oc2ccc(OCC)c(OC)c2)c(N(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11099514
31115,CCOCCCN1CCN(Cc2cccc(-c3cccc(OC)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5625743
31116,CCOc1ccccc1N1CCN(CCN2CCC(n3cc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8260586
31117,CN=Cc1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7128357
31118,CNc1cccc(CN2CCN(CCCCNC(=O)C3CCCCC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.42372522
31119,COC1CCN(CCN2CCN(c3ccccc3-c3cc(O)ccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75732565
31120,COC1CCN(CCN2CCN(c3ccccc3N3C(=O)CCc4ccc(O)cc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7835483
31121,COC1CCN(CCN2CCN(c3ccccc3NS(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.50636536
31122,COCCOc1ccc(OC)c(Cn2cc(CCc3ccccc3)cc2O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10916955
31123,COCCOc1ccc(ON2CCN(c3ccccc3C(C)=O)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15381232
31124,CON1CCN(CCNC(=O)c2ccc(OC(C)=O)c(-c3ccccc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3422962
31125,COOc1ccc(OCCN2CCC(NS(=O)(=O)c3cc(F)ccc3F)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6366858
31126,COc1cc(C(=O)NCCN2CCN(C=O)CC2)ccc1-c1ccc(C)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.1798032
31127,COc1cc2c(cc1C1CCCN(Cc3ccccc3)C1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5860046
31128,COc1cc2c(cc1O)C1Cc3cccc(-c4cccc(OC)c4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73023623
31129,COc1cc2c(cc1O)C1Cc3cccc(C(=O)NCc4ccc(F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55914325
31130,COc1cc2c(cc1O)C1Cc3cccc(Cn4ccc([N+](=O)[O-])c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49700245
31131,COc1cc2c(cc1OC)C1Cc3cccc(-c4cc(Br)ccc4C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66244763
31132,COc1cc2c(cc1OC)C1Cc3cccc(C(O)CCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7320993
31133,COc1cc2c(cc1OCc1cccc(C#N)c1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5671107
31134,COc1ccc(Br)cc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26490217
31135,COc1ccc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)cc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.93578076
31136,COc1ccc(COc2cc3c(cc2Cl)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7238649
31137,COc1ccc(OCCC(N)=O)cc1N1CCC(CN2CCCCC2)C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.22943036
31138,COc1ccc(OCCN2CCC(c3cccc(C(C)=O)c3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.6458032
31139,COc1ccc(OCCS(C)=O)cc1CCOc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.12249911
31140,COc1ccc(OCC[SH](C)(=O)O)cc1CCOc1ccccc1C,[*]CCOc1ccc(O[*])c([*])c1,0.061840292
31141,COc1ccc(S(=O)(=O)NC2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85326225
31142,COc1cccc(Cc2cccc3c2CN2CCc4cc(CO)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62694174
31143,COc1cccc2c1CN1CCc3cc(C(=O)NCc4ccc(C)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4338098
31144,COc1cccc2c1CN1CCc3cc(C)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70792466
31145,COc1cccc2c1CN1CCc3cc(OC(=O)c4ccc5[nH]ccc5c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43109235
31146,COc1ccccc1N1CCN(CCN2CCC(Cn3cc(-c4ccccc4)nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7812896
31147,COc1ccccc1N1CCN(COc2ccc(OCCF)cc2CCCF)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.783779
31148,Cc1cc(OCCN(C)C)ccc1OCCCn1cc(C2CCCCC2)cc1O,[*]CCOc1ccc(O[*])c([*])c1,0.1994793
31149,Cc1cc(OCCN2CCC(Cc3ccccc3)CC2)ccc1OS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.53029335
31150,Cc1cc(OCCOS(C)(=O)=O)ccc1OC(O)CCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.10770652
31151,Clc1ccccc1N1CCN(CCN2CCC(Br)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83361274
31152,Fc1cccc(CN2CCN(CCCCc3cnc(-c4ccccc4)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66653806
31153,O=C(Nc1ccccc1)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.53340405
31154,O=[N+]([O-])c1ccc(CNCc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47269434
31155,O[N+]=Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71370715
31156,Oc1cc2c(cc1OC1CCCCC1)C1Cc3cccc(Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6160981
31157,Oc1cc2ccccc2n1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7727867
31158,CC(=O)Nc1cccc(C(=O)NCCOc2ccc(ONS(C)(=O)=O)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.021875476
31159,CC1CCN(CCN2CCN(c3ccccc3Oc3ccc4c(n3)NC(=O)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6819427
31160,CCCCN1CCN(Cc2cccc(C3C(=O)Nc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57488275
31161,CCCOc1ccc(OC(N)=O)c(N2CCN(c3ccccc3OCC(C)C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20608619
31162,CCCOc1ccc(OF)c(N2CCN(CCOc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7939008
31163,CCCOc1ccc(ON2CCN(C3CCc4ccc(OC)cc4C3)CC2)c(C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.49133885
31164,CCCOc1ccc(ON2CCN(c3ccccc3OC)CC2)c(CN)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35558403
31165,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(c3ccc(OC4CC4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18897495
31166,CCCOc1ccc(OOC)c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29913163
31167,CCCOc1ccc(OOC)c(NC(C)c2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12739633
31168,CCCOc1ccc(OS(C)(=O)=O)c(NC2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21866547
31169,CCCOc1ccc(OS(C)(=O)=O)c(NCCC2c3ccccc3CCC2O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27369225
31170,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26830205
31171,CCOc1cccc2c1CN1CCc3cc(OC)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73039436
31172,CCc1cc(C)c2c(c1)C(CONc1cc(OCCN=S(C)(=O)O)ccc1OC)CCC2,[*]CCOc1ccc(O[*])c([*])c1,0.08659422
31173,COCCCN1CCN(Cc2cccc(-c3cccc(N4C(=O)c5ccccc5C4=O)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59695035
31174,COCCCN1CCN(Cc2cccc(C3Cc4ccccc4C3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7282604
31175,COCCCN1CCN(Cc2cccc(N3CN(c4ccccc4)C(=O)c4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5492951
31176,CONN1CCN(CCNC(=O)c2ccc(-c3ccccc3OC)c(OC)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32977146
31177,COOc1ccc(OCCCC2CCc3ccc(F)cc3C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.42039698
31178,COOc1ccc(OCCN2CCN(c3cc(F)ccc3F)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.65963817
31179,COc1cc2c(cc1O)CCN1Cc3c(cccc3Cn3ccc(C)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69902956
31180,COc1cc2c(cc1OC(=O)c1c[nH]c3ccccc13)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4154378
31181,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(CO)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.761533
31182,COc1ccc(C(=O)NCCN2CCN(C#N)CC2)cc1-c1cccc(Cl)c1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30004755
31183,COc1ccc(C(=O)Nc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.40825397
31184,COc1ccc(O)c(C(=O)NC2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8302455
31185,COc1ccc(OCCF)cc1CS(=O)(=O)Cc1cccc(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08762349
31186,COc1ccc(OCCN(C)S(C)(=O)=O)cc1N1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.32341743
31187,COc1ccc(OCCN2CCC(Oc3ccc(CC4CCCCC4)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4881601
31188,COc1ccc(OCCNS(C)(=O)=O)cc1CCSc1ccc(CC23CCCC2C(=O)NC3)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.122911744
31189,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(CC(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25706175
31190,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCCC(COc2cc3ccccc3cc2F)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2745827
31191,COc1ccc(OCCS(C)(=O)=O)cc1C(=O)Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.03328712
31192,COc1ccc(OCCS(C)(=O)=O)cc1CCOc1ccc2c(c1)CCC(CF)C2,[*]CCOc1ccc(O[*])c([*])c1,0.30766696
31193,COc1cccc(COc2cc3c(cc2O)CCN2Cc4c(cccc4OCc4ccccc4)CC32)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5897796
31194,COc1ccccc1-c1ccc(CCCN2CCN(Cc3cccc(C)c3)CC2)o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5545445
31195,Cc1cc(OCCF)ccc1OCN1CCC(NS(=O)(=O)c2ccc(F)c(F)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.39204207
31196,Cc1cc(OCCN2CCN(C)CC2)ccc1ONC(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.22294956
31197,Cc1cc(OCCS(C)(=O)=O)ccc1ONC(=O)COc1ccc2c(c1)NCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.055308312
31198,Cc1cc2c(cc1Br)C1Cc3cccc(C=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6508507
31199,Cc1cc2c(cc1C#N)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74628276
31200,Cc1ccccc1CC1CCCN(CCOc2ccc(ONS(C)(=O)=O)c(C)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.40902922
31201,O=C(O)c1cccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41316047
31202,O=C(c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2)c1c[nH]c2cc(Cl)ccc12,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4806214
31203,O=c1ccc(C(F)(F)F)cn1C1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83224964
31204,CC(C)c1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccc(F)cc4)no3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69183505
31205,CCCCc1cccn1-c1cc(OCCC)ccc1OOC,[*]CCOc1ccc(O[*])c([*])c1,0.13739815
31206,CCCOc1ccc(OC(C)=O)c(CN2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38781276
31207,CCCOc1ccc(OCCN2CCN(c3ccc(Cl)cc3)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8325052
31208,CCCOc1ccc(ON2CCN(c3ccc(F)cc3C)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2900595
31209,CCN1Cc2ccc(CC(=O)CCOc3ccc(OC)c(SC)c3)cc2CC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.13102539
31210,CCON1CCN(CCNC(=O)c2ccc(OC)c(-c3ccccc3OC)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3511867
31211,CNC(=O)c1cc2c(cc1C)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36496213
31212,COC(=O)N1C(=O)c2ccccc2C1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.42124
31213,COC(=O)Nc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35993415
31214,COC1CCN(CCN2CCN(c3ccccc3-c3cc(F)ccc3-c3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73116595
31215,COC1CCN(CCN2CCN(c3ccccc3-c3nnc(-c4ccccc4)s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67710876
31216,COCCOc1ccc(OC)c(CCN2CCN(c3ccccc3C(F)(F)F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8625681
31217,COCc1cc2c(cc1CO)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5704829
31218,CON1CCN(CCNC(=O)c2ccc(O)c(-c3cccc(Cl)c3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.36980698
31219,COOc1ccc(OCCN2CCN(c3cccc(CCCF)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.69242585
31220,COc1cc2c(cc1C(C)(O)Cc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63094485
31221,COc1cc2c(cc1Cl)CCN1Cc3c(cccc3-c3ccccc3C#N)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5843232
31222,COc1cc2c(cc1O)C1Cc3cccc(COCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.82826334
31223,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)CCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59373647
31224,COc1cc2c(cc1OC)C1Cc3cccc(-c4cc(CO)ccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6047112
31225,COc1cc2c(cc1OC)C1Cc3cccc(CCOc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7518939
31226,COc1cc2c(cc1OC)C1Cc3cccc(OCc4ccc(C(C)=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5285876
31227,COc1cc2c(cc1OCc1ccc3cccc(O)c3c1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6158179
31228,COc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7024805
31229,COc1ccc(C(O)c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62952983
31230,COc1ccc(OCCC(=O)COc2ccc(CF)cc2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.021717597
31231,COc1ccc(OCCCS(=O)(=O)Cc2ccc(SC)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.086237766
31232,COc1ccc(OCCCS(C)(=O)=O)cc1CCCc1ccc2c(c1)CC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.22196415
31233,COc1ccc(OCCF)cc1CN1CCN(c2ccccc2C(C)C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.77611625
31234,COc1ccc(OCCN=S(C)(=O)O)cc1COc1ccc2c(c1)CCCC(=O)N2,[*]CCOc1ccc(O[*])c([*])c1,0.14156596
31235,COc1ccc(OCCS(C)(=O)=O)cc1C(=O)COc1ccc(C(F)(F)F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.0709801
31236,COc1ccc(OCCS(C)(=O)=O)cc1C(O)COc1ccc2ccccc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.0915286
31237,COc1cccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2O)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35695416
31238,COc1cccc(COc2cc3c(cc2OC)CCN2Cc4c(cccc4OC)CC32)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65527475
31239,COc1cccc2c1CN1CCc3cc(Cc4ccccc4)c(Oc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71979916
31240,COc1cccc2c1CN1CCc3cc(O)c(OCCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64481974
31241,COc1ccccc1CN1CCN(CCOc2ccc(OF)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.52850205
31242,COc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3ccccc3C#N)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.773312
31243,COc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccc(F)nc4)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85226995
31244,Cc1cc(OCCF)ccc1ONC(=O)c1ccc(N(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.040039
31245,Cc1cc(OCCN2CCN(C)CC2)ccc1OCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.4635416
31246,Cc1coc(C2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71232873
31247,FCCCN1CCN(Cc2cccc(C3=CCc4cc(F)ccc4N3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7323969
31248,Fc1cccc(CN2CCN(CCCc3ccc(-c4ccc(Cl)cc4)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59322596
31249,O=C(CCCCN1CCN(Cc2cccc(F)c2)CC1)NC1CCCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5648574
31250,O=C(NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)Oc1ccccc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7979151
31251,O=C1c2ccccc2N(CCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)S1(=O)=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61531425
31252,Oc1cc2c(cc1CF)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73506916
31253,Oc1cc2ccccc2n1Cc1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5891117
31254,Oc1ccc2ccccc2c1-c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5484124
31255,Oc1cccc2c1CN1CCc3cc(OC4CC4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7401515
31256,CC(=O)c1ccc(OC2CCN(CCOc3ccc(ON=S(C)(=O)O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.41542888
31257,CC(O)c1ccccc1N1CCN(CCN2CCC(c3ccncc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70015806
31258,CCCN1CCN(Oc2ccc(OCCOC)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.47198102
31259,CCCOc1ccc(OC(CCC)c2ccccn2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12455136
31260,CCCOc1ccc(OC2CCCN2c2ccccc2OCC)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31512672
31261,CCCOc1ccc(OCc2ccccc2)c(CN(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15383439
31262,CCCOc1ccc(ON2CCN(C)CC2)c(CCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4700208
31263,CCCOc1ccc(ON2CCN(c3ccccc3CC)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28060195
31264,CCCOc1ccc(ON=S(C)(=O)O)c(CNc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05691058
31265,CCOC1CCN(CCN2CCN(c3ccccc3Oc3ccc(O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81093496
31266,CN(C=Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2)c1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66902035
31267,COC(=O)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50838333
31268,COC(=O)c1ccccc1N1CCN(CCN2CCC(c3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6063739
31269,COCCCN1CCN(Cc2cccc(-c3coc4ccccc4c3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.50071675
31270,COCCOc1ccc(OC)c(CCc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20457566
31271,COOc1ccc(OCCF)cc1-c1cc2c(cc1OC)CN(CC(C)=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.38244036
31272,COc1cc2c(cc1CO)CCN1Cc3c(Cc4cccc(F)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6797757
31273,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccc(N(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7455446
31274,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.731169
31275,COc1ccc(C(=O)NCCN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.4566487
31276,COc1ccc(CNCc2cc3c(cc2OC)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.670164
31277,COc1ccc(COc2cc3c(cc2O)CCN2Cc4c(C#N)cccc4CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.718177
31278,COc1ccc(OCCCCSc2ccccc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.0678704
31279,COc1ccc(OCCCF)cc1N1CCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27003074
31280,COc1ccc(OCCN2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5094975
31281,COc1ccc(OCCNC(=O)c2cc3ccccc3s2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.057131775
31282,COc1ccc(OCCNC(=O)c2ccccc2)cc1CN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.13670188
31283,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(c2ccc(OC3CCCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.30283248
31284,COc1ccc2c(c1)NC(=O)CC2c1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8078708
31285,COc1cccc(CCC2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84580344
31286,COc1cccc(CN2CCN(CCCC3=COc4ccccc4N3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5412461
31287,COc1cccc2c1CN1CCc3cc(Cc4ccc(C#N)cc4)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68297994
31288,COc1cccc2c1CN1CCc3cc(Cc4cccc5ncccc45)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63335615
31289,COc1ccccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1S(C)(=O)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.38410965
31290,COc1ccccc1CCCN1CCN(Cc2cccc(C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6239745
31291,CS(=O)(O)=NCCOc1ccc(OF)c(CCCc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24739535
31292,CSOc1ccc(OCCNCC2CCc3ccccc3C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.28501815
31293,Cc1cc(OCCCCOc2ccc3c(c2)NC(=O)CC3)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.27054065
31294,Cc1cc(OCCNC(=O)COc2ccc3c(c2)NC(=O)CC3)ccc1OS(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.053739253
31295,Cc1cc(OCCNC(=O)Cc2ccccc2)ccc1ONCC1CCNC1,[*]CCOc1ccc(O[*])c([*])c1,0.054683067
31296,Cc1cc2ccccc2n1C(=O)CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5608621
31297,Clc1ccccc1N1CCN(CCN2CCC(C3CC3c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.652702
31298,Nc1cc2c(cc1O)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.82204545
31299,O=C(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1ccc(O)nc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4540246
31300,O=C(c1cccc(CN2CCN(CCCCl)CC2)c1)N1CCCC1Cc1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5194337
31301,O=C(c1cccc(F)c1)C1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8076167
31302,O=C1C(=O)N(CCCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67365927
31303,O=C1COc2ccc(-c3cccc(CN4CCN(CCCF)CC4)c3)cc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6830829
31304,O=C1c2ccccc2N(CCCN2CCN(Cc3cccc(Cl)c3)CC2)S1(=O)=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.657897
31305,O=[N+]([O-])c1ccc(CON=Cc2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48804256
31306,Oc1cc2c(cc1O)C1Cc3cccc(SCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5702709
31307,CC(=O)N1CCN(COc2ccc(OCCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.110788785
31308,CCCCN1CCN(Cc2cccc(C(=O)N3C(=O)Cc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5620615
31309,CCCOc1ccc(OC)c(CNS(=O)(=O)c2cccc(F)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1001547
31310,CCCOc1ccc(ON2C=C(C(=O)O)CCC2)c(Nc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10956899
31311,CCCOc1ccc(ON2CCN(Cc3ccccc3OC)CC2)c(NS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24233529
31312,CCCOc1ccc(ON2CCN(c3ccccc3OC)CC2)c(OCCF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4219966
31313,CCCOc1ccc(ONC(=O)c2ccccc2C)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.59059
31314,CCCOc1ccc(ONC)c(NC(=O)c2cccc(N3CCN(C)CC3)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17745037
31315,CCCOc1ccc(ONCCc2ccc(F)cc2)c(CCSc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13183369
31316,CCCOc1ccc(OOC)c(N2CCN(c3ccccc3OCCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4527896
31317,CCc1cc(C2CCN(Oc3ccc(OCCOC)cc3C)CC2)no1,[*]CCOc1ccc(O[*])c([*])c1,0.2968894
31318,CCc1ccccc1OC1CCN(Oc2ccc(OCCNS(C)(=O)=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25398546
31319,COC1CCN(CCN2CCN(c3ccccc3C(=O)Nc3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5636929
31320,COc1cc2c(cc1NC(=O)COc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.27276644
31321,COc1cc2c(cc1O)C1Cc3cccc(-c4c(CO)cccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68241847
31322,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccc[nH]4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8112485
31323,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc(O[N+](C)=O)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5280528
31324,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc([N+](=O)O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6148531
31325,COc1ccc(OCCC(=O)COc2ccc(F)cc2)cc1NS(=O)(=O)Cc1ccc(SC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.023617415
31326,COc1ccc(OCCCCOc2ccc3c(c2)CC(=O)CC3)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.24155292
31327,COc1ccc(OCCCN2CCC(C)CC2)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.60362554
31328,COc1ccc(OCCCS(=O)(=O)c2ccc(F)cc2)cc1CCN1CCNC1,[*]CCOc1ccc(O[*])c([*])c1,0.39594388
31329,COc1ccc(OCCCl)cc1N1CCN(c2cccc(F)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.44738325
31330,COc1ccc(OCCF)cc1NS(=O)(=O)c1ccc(C(C)C)cc1C(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.0309479
31331,COc1ccc(OCCN2CC(Cc3ccc4ccccc4n3)CCS2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.19598426
31332,COc1ccc(OCCN2CCCC(c3ccccc3)CC2)cc1S(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.5315678
31333,COc1ccc(OCCN2CCN(Cc3ccccc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5405713
31334,COc1ccc(OCCN=S(C)(=O)O)cc1C(C)Cc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.1966276
31335,COc1ccc(OCCNC(=O)COc2ccc(C(F)(F)F)cc2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.016256178
31336,COc1ccc(OCCNCCc2ccc(Cl)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.15361743
31337,COc1ccc(OCCNCCc2ccccc2)cc1S(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.20858894
31338,COc1ccc(OCCS(C)(=O)=O)cc1NCCC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.2568911
31339,COc1cccc2c1CN1CCc3cc(-c4ccc(N(C)C)cc4)c(C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67752326
31340,COc1cccc2c1CN1CCc3cc(C(=O)c4ccc5ccccc5c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5059407
31341,COc1cccc2c1CN1CCc3cc(C4CCc5ccccc5OC4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6378598
31342,COc1ccccc1CCOc1ccc(OC)c(CN2CCN(C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.62152195
31343,COc1ccccc1N1CCN(c2cc(OCCN(C)C)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.37660173
31344,COc1ccccc1NC1CCN(CCOc2ccc(OC)c(SC)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.56138504
31345,Cc1c(-c2cccc(CN3CCN(CCCCl)CC3)c2)c2ccccc2oc1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53924304
31346,Cc1cc(OCCF)ccc1ONC(=O)c1cccnc1,[*]CCOc1ccc(O[*])c([*])c1,0.031297106
31347,Cc1cc(OCCN2CCC(c3coc4ccccc34)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.59601635
31348,Cc1cc(OCCNC(=O)Cc2ccc(F)cc2)ccc1OOC1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.028727481
31349,Cc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1cccc2ccoc12,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.191468
31350,Cc1cccc(CN2CCN(CCCCCc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.75420976
31351,FC(F)(F)Oc1ccccc1CCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.810403
31352,O=C(Cc1ccccc1)NC1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69593114
31353,O=C(NCCCCN1CCN(Cc2cccc(Cl)c2)CC1)c1ccccn1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6845951
31354,O=C(NCc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1ccc(-c2ccccn2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68441683
31355,O=C(Nc1ccc2ccccc2c1)c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.34767073
31356,O=C(c1ccc2ccccc2n1)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68956465
31357,O=C1CS(=O)(=O)c2ccccc2N1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66242594
31358,OC1CCN(CCN2CCN(c3ccccc3-c3nc4ccccc4s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6800411
31359,Oc1ccccc1N1CCN(CCN2CCC(n3ccc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71223456
31360,CC(C)(C)c1ccccc1N1CCN(CCN2CCC(c3ccc(O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7992112
31361,CCCCNC(=O)c1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5581214
31362,CCCOc1ccc(OC(=O)NC)c(N2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17586802
31363,CCCOc1ccc(OCN2CCCN(c3ccccc3OC)CC2)c(C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.66244864
31364,CCCOc1ccc(OCN2CCN(C)CC2)c(NC(=O)c2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13526304
31365,CCCOc1ccc(OCN2CCN(c3ccccc3OC)CC2)c(OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8105546
31366,CCCOc1ccc(OF)c(NC(C)COc2cccc3ccccc23)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1398323
31367,CCCOc1ccc(ON=S(C)O)c(N2CCC(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2800843
31368,CCCOc1ccc(ONC=O)c(CN2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.51950765
31369,CCCOc1ccc(ONS(C)(=O)=O)c(CCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.104099676
31370,CCCOc1ccc(OOC)c(CCN2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8143963
31371,CCCOc1ccc(OS(C)(=O)=O)c(N2C(=O)CCc3cc(CC4CCC4)ccc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21267138
31372,CCCOc1ccc(OSC)c(N2CCC(c3ccccc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3038599
31373,CCNC(=O)c1cccc2c1CN1CCc3cc(Cl)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55724585
31374,CCOc1ccccc1N1CCN(CCN2CCC(n3ccc(-c4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8463177
31375,CCc1cccc(C2CCN(c3cc(OCCNC(C)=O)ccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24183416
31376,CN(C)SCc1cc(OCCCC(=O)Cc2ccc3c(c2)CCCC3)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.11553551
31377,CNC(=O)C=Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42609882
31378,CNC(=O)c1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46379212
31379,CNCCOc1ccc(OC)c(NC(=O)C2CCN(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32591096
31380,CNCCOc1ccc(OC)c(NC(=O)Cc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.011381782
31381,COC(=O)c1cccc(N2CCN(COc3ccc(OCCCF)cc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22706032
31382,COC1CCN(CCN2CCN(c3ccccc3OCc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.93722767
31383,COCCCN1CCN(Cc2cccc(Cc3cc(-c4cccs4)no3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6042766
31384,COCCOc1ccc(ON2CCN(C(c3ccccc3)c3cccc(OC)c3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23655874
31385,CON1CCN(CCNC(=O)c2ccc(Cl)c(-c3ccc(C)cc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.1493864
31386,COc1cc2c(cc1-c1cccc(C=O)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61901784
31387,COc1cc2c(cc1C)C1Cc3cccc(Cc4cccc([N+](=O)[O-])c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44020206
31388,COc1cc2c(cc1OCc1ccc(CO)cc1)CCN1Cc3c([O-])cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62962496
31389,COc1cc2c(cc1[N+](=O)c1cccc(C)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64869493
31390,COc1ccc(C(=O)NCCN2CCN(O)CC2)cc1-c1cccc(C)c1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.23755108
31391,COc1ccc(CNC(=O)c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5630696
31392,COc1ccc(OCCCCNC(=O)c2ccc(CCCF)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.04050284
31393,COc1ccc(OCCCc2cccs2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.099265344
31394,COc1ccc(OCCN2CCC(C(=O)c3cccc(C)c3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.49867302
31395,COc1ccc(OCCN=S(C)(=O)O)cc1NC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.027281199
31396,COc1ccc(OCCNC(=O)CSc2ccccc2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.031427383
31397,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1N1CCN(C(C)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.071768165
31398,COc1ccc(OCCS(C)(=O)=O)cc1COC(=O)Cc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.14681183
31399,COc1cccc(C(=O)NCCCN2CCN(Cc3cccc(Cl)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.35132378
31400,COc1cccc(CCCCOc2ccc(OC)c(NS(C)(=O)=O)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1235708
31401,COc1cccc(Oc2cc3c(cc2OC)C2Cc4cccc(Cc5ccccc5)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7444531
31402,Cc1cc(OCCCC(=O)Cc2ccc3c(c2)CCNC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.142349
31403,Cc1cc(OCCN2CCC(CNCc3ccccc3)C2=O)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.22943865
31404,Cc1cc(OCCN2CCC(O)(c3ccc(F)cc3)CC2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.6636453
31405,Cc1cc(OCCS(C)(=O)=O)ccc1OC=CCc1ccccc1OC1CCNC1,[*]CCOc1ccc(O[*])c([*])c1,0.20844904
31406,Cc1cc2c(cc1-c1cccc(F)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6429637
31407,Cc1cccc2c1CN1CCc3cc(COc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5860303
31408,Fc1cccc(CC2CCN(CCN3CCN(c4ccccc4OC(F)(F)F)CC3)CC2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7631968
31409,Fc1cccc(CN2CCN(CCCCc3cccc(-c4cccs4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68183833
31410,O=C(CCCN1CCN(Cc2cccc(F)c2)CC1)c1ccc(F)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63683647
31411,OCCCN=Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59293824
31412,CC(=O)c1ccc(C2CCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.5285898
31413,CC1CCN(CCN2CCN(c3ccccc3-n3cnc(-c4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77239734
31414,CCCOc1ccc(OF)c(CN2CCC(NS(=O)(=O)c3cccc(C(C)C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37653732
31415,CCCOc1ccc(ON2CCN(C(C)=O)CC2)c(-c2ccc(CC(F)(F)F)nc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08658384
31416,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCCC(Cc3ccc(OC4CCCC4)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18977687
31417,CCCOc1ccc(OOC)c(N2CCCN(c3cccc(F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32205325
31418,CCCOc1ccc(OOCC)c(COc2ccccc2SCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16263962
31419,CCCOc1ccc(OS(C)(=O)=O)c(-c2ccc(CCC(F)(F)F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07986684
31420,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(CCc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40576684
31421,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3ccc(C(C)=O)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17415974
31422,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35287112
31423,CCCOc1ccc(OS(N)(=O)=O)c(CCCc2ccc(OC3CCCCN3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17436238
31424,CCCOc1ccc(OSC)c(NCCc2cccc(OC)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12622322
31425,CNCCOc1ccc(ON2CCC(c3ccccc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37324032
31426,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4nccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84868413
31427,COCCCN1CCN(Cc2cccc(CNC(=O)C3Cc4ccccc4-c4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.582856
31428,COc1cc2c(cc1O)C1Cc3cccc(CNOCc4cccc(C)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5995386
31429,COc1cc2c(cc1OCc1ccc(C(N)=O)cc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45510364
31430,COc1ccc(COC(=O)c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5807598
31431,COc1ccc(OCCCN=S(C)(=O)O)cc1CCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.26161906
31432,COc1ccc(OCCCS(=O)(=O)Cc2ccc(F)cc2)cc1OC1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.27903283
31433,COc1ccc(OCCCS(C)(=O)=O)cc1NCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07733414
31434,COc1ccc(OCCN2CCC(CNCc3ccc(F)cc3)C2=O)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.36215347
31435,COc1ccc(OCCN2CCCN(c3ccc(F)cc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.8652959
31436,COc1ccc(OCCN=S(C)(=O)O)cc1CN1CCC(Oc2ccc3ccc(C)cc3c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3037803
31437,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCC(c2ccc(C)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.13358706
31438,COc1ccc(OCCOC(C)=O)cc1NC(=O)Cc1ccc2c(c1)CCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.04440048
31439,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCCC(Cc2ccc3c(c2)C(C(N)=O)CCC3O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.15772551
31440,COc1ccc(OCCSC)cc1CCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.15707284
31441,COc1cccc(CN2CCN(CCCCc3cc(-c4cccs4)no3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66818494
31442,COc1cccc2c1CN1CCc3cc(-c4ccccc4Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6567489
31443,COc1ccccc1-c1cc2c(cc1Cl)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6215144
31444,COc1ccccc1-c1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71314335
31445,COc1ccccc1C1CCN(Oc2ccc(OCCOS(C)(=O)=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28802288
31446,CSOc1ccc(OCCN2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.639425
31447,Cc1cc(OCCCN2CCCC(Cc3ccc(F)cc3)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5011741
31448,Cc1cc(OCCN2CCC(CCc3ccccc3)CC2)ccc1OSO,[*]CCOc1ccc(O[*])c([*])c1,0.5693551
31449,Cc1cc(OCCN2CCC(Oc3ccc(S(C)(=O)=O)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.48885837
31450,Cc1cc(OCCN2CCN(c3ccc(OCC(F)(F)F)cc3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6703531
31451,Cc1cc(OCCN2CCN(c3ccccc3OC(C)C)CC2)ccc1O[SH](C)O,[*]CCOc1ccc(O[*])c([*])c1,0.7847968
31452,Cc1cc(OCCNCc2ccc(OC3CCCC3)cc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1452771
31453,Clc1cccc(CN2CCN(CCCC3CCC(Nc4ccccc4)CC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5900927
31454,Nc1cc2c(cc1Br)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76030344
31455,O=C(NCCCN1CCN(Cc2cccc(Cl)c2)CC1)c1cc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.44890058
31456,OCc1ccc(-c2cccc3c2CN2CCc4cc(O)c(Cl)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6913621
31457,OCc1ccc(Cc2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7561653
31458,Oc1cc2c(cc1O)C1Cc3cccc(-c4ccc(F)cc4F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6737357
31459,Oc1cc2c(cc1O)C1Cc3cccc(C4CCCC4O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71311027
31460,Oc1cccc2c1CN1CCc3cc(-c4ccc(Cl)cc4Cl)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6885136
31461,Oc1cccn1-c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6157983
31462,CC(=O)NCCOc1ccc(ON2CCC(Cc3ccc(F)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10848126
31463,CC1(C(=O)NCCCCN2CCN(Cc3cccc(Cl)c3)CC2)CCc2ccccc2C1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6261913
31464,CC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccncc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.39397365
31465,CCCCc1cccc(CCOc2ccc(OC)c(OC)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14672354
31466,CCCOc1ccc(OC)c(NS(=O)(=O)c2cccc(C(N)=O)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.023367042
31467,CCCOc1ccc(OCl)c(NC(=O)c2ccc(CCCF)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03377232
31468,CCCOc1ccc(OCl)c(NCCC2CCc3ccc(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.48256618
31469,CCCOc1ccc(OOC)c(C(O)CCc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19587651
31470,CCCOc1ccc(OOC)c(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.73573256
31471,CCCOc1ccc(OOC)c(CNC(=O)c2ccco2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.033179723
31472,CCCOc1ccc(OS(C)(=O)=O)c(OC2CCN(Cc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5833864
31473,CCCc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75809246
31474,CCOc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7694936
31475,CCc1cccc2c1CN1CCc3cc(C(=O)OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50817627
31476,CNCCOc1ccc(OC)c(CCN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.905551
31477,COC(=O)C1Cc2ccccc2N1C(=O)CCCN1CCN(Cc2cccc(OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62460095
31478,COC1CCN(CCN2CCN(c3ccccc3-c3cc(O)ccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7842451
31479,COC1CCN(CCN2CCN(c3ccccc3COc3cnc4ccc(O)cc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6418768
31480,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4nc(O)cnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7173509
31481,COCCCN1CCN(Cc2cccc(CNC(=O)C3CCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.52806944
31482,COCCOc1ccc(OC)c(N2CCC(c3cccc(C(C)=O)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21883374
31483,COCCOc1ccc(OCF)c(CF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.119339265
31484,COc1cc2c(cc1O)C1Cc3cccc(C(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8765159
31485,COc1cc2c(cc1OC)C1Cc3cccc(-c4cccc5cccc(OC)c45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67760223
31486,COc1ccc(-c2cc3c(cc2O)C2Cc4cccc(C)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6648964
31487,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccc(O)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29666346
31488,COc1ccc(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)cc1OC,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7595841
31489,COc1ccc(OCCC2CN(C)CCc3cc(C(C)=O)ccc32)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.38908252
31490,COc1ccc(OCCCCc2ccccc2)cc1CN1CCN(C(C)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1965827
31491,COc1ccc(OCCF)cc1CN1CCCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.78125733
31492,COc1ccc(OCCN)cc1NC(=O)c1ccc(C2CCCN2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06308999
31493,COc1ccc(OCCN2CCC(Cc3ccc4ccccc4n3)CC2)cc1SC(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.51552236
31494,COc1ccc(OCCN=C[SH](C)(=O)O)cc1CCCc1cc(C)no1,[*]CCOc1ccc(O[*])c([*])c1,0.039643697
31495,COc1ccc(OCCOS(C)(=O)=O)cc1N1CC2CCc3cc(C(C)=O)ccc3CC(CC2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.16986138
31496,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Cc2ccccc2OC2CCCCC2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2622341
31497,COc1ccc(OCCc2cccc(SC)c2)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.72257155
31498,COc1ccc2cc(C3CCN(CCN4CCN(c5ccccc5OC)CC4)CC3)cnc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8278653
31499,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3cc4ccccn4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7869505
31500,COc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3ccc(Cl)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8402421
31501,Cc1cc(OCCNC(=O)Cc2cccc3ccccc23)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.013493415
31502,Cc1ccccc1Cc1cccc2c1CN1CCc3cc(O)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73696095
31503,FC(F)(F)OCCCN1CCN(Cc2cccc(Cc3cccc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6097646
31504,Fc1cnc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73941696
31505,O=C(C=Cc1ccccc1)NCCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7134878
31506,O=C(CCCCCN1CCN(Cc2cccc(Cl)c2)CC1)c1cccs1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72543395
31507,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)OC1CCCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59213537
31508,O=C1c2ccccc2Cc2ccccc2N1CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7245031
31509,O=c1c2ccccc2ncn1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6403473
31510,Oc1cccc2c1CN1CCc3cc(Oc4ccc(Br)cc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7350227
31511,CCCOc1ccc(ON2CCC(c3cccc(C(F)(F)F)c3)CC2)c(NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.112982824
31512,CCCOc1ccc(ON=S(C)(=O)O)c(CC2CCc3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31792414
31513,CCCOc1ccc(OS(C)(=O)=O)c(NCCc2ccc(F)cc2F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08735642
31514,CCOc1cccc2c1CN1CCc3cc(OC)c(Oc4cc(N)c5ccccc5c4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66611606
31515,CCOc1ccccc1N1CCN(CCN2CCC(n3cc(C)c(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7418869
31516,CCc1ccccc1C1CCCN(CCOc2ccc(OC)c(OC)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.55887175
31517,CCc1ccccc1N1CCN(CCN2CCC(c3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8060644
31518,CN(Cc1ccccc1)Cc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7289755
31519,CNCCOc1ccc(ONS(=O)(=O)c2ccc(C(C)C)cc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05520175
31520,COC(=O)c1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5453683
31521,COC1CCN(CCN2CCN(c3ccccc3-n3c(O)nc4c5ccccc5ccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6966437
31522,COC1CCN(CCN2CCN(c3ccccc3C(=O)NCCc3ccc(C#N)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.62297606
31523,COCCCN1CCN(Cc2cccc(-c3cc(C=Cc4ccccc4)co3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6084271
31524,COCCCN1CCN(Cc2cccc(NC(=O)c3cc4ccc3CCc3ccccc3CC4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4145609
31525,COCCOc1ccc(OC)c(NCCc2cccc3ccccc23)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09983176
31526,COCCOc1ccc(OCN2CCCN(c3cccc(Cl)c3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.47001377
31527,COOc1ccc(OCCNCc2ccc(OC)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.19041212
31528,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1cccc(C)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.21693663
31529,COc1cc2c(cc1-c1cccc(-c3ccccc3)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7095586
31530,COc1cc2c(cc1C#N)CCN1Cc3c(CO)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7784195
31531,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc5[nH]ccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6582598
31532,COc1ccc(-c2cccc3c2CN2CCc4cc(C)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63558924
31533,COc1ccc(C(=O)NCCN2CCN(Cl)CC2)cc1-c1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3492019
31534,COc1ccc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.918123
31535,COc1ccc(COc2cc3c(cc2OC)CCN2Cc4c(cccc4OCc4ccccc4)CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7068971
31536,COc1ccc(OCCN2CCC(NS(=O)(=O)c3ccccc3C(C)C)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.66008604
31537,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCC(Cc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.18696703
31538,COc1ccc2c(c1)c(=O)n(-c1ccccc1)c(=O)n2CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5301284
31539,COc1cccc(CN2CCN(CCCCCC(=O)N3Cc4ccccc4C3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57587516
31540,COc1cccc2c1CN1CCc3cc(C)c(C(=O)Nc4cccc(CO)c4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.26353565
31541,COc1cccc2c1CN1CCc3cc(CO)c(CNc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46043167
31542,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(N(C)C)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2970713
31543,COc1ccccc1N1CCN(CCN2CCC(c3ccnc(-c4ccccn4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87811863
31544,COc1ccccc1N1CCN(CCNC(=O)c2ccc(F)c(C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.89856124
31545,C[SH](O)c1ccccc1N1CCN(CCN2CCC(c3cccnn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7284344
31546,Cc1cc(OCCN2CCC(c3csc4ccccc34)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.62125677
31547,Cc1cc(OCCN2CCN(Cc3ccccc3)CC2)ccc1ON=S(C)O,[*]CCOc1ccc(O[*])c([*])c1,0.53353035
31548,Cc1cc(OCCNS(=O)(=O)c2cccc(Cl)c2)ccc1OOCCN,[*]CCOc1ccc(O[*])c([*])c1,0.067000315
31549,Cc1ccccc1N1CCN(CCN2CCC(c3cccc(NC(=O)C#Cc4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.53629726
31550,FC(F)(F)CCCN1CCN(Cc2cccc(Nc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4960383
31551,FC1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80026424
31552,FCCOCCCN1CCN(Cc2cccc(Cc3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7263888
31553,Fc1cccc(CN2CCN(CCCSc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5981607
31554,O=C(Cc1ccccc1)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71258354
31555,O=C(Nc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1)c1cccc2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3794279
31556,O=C(Nc1ccccc1Cl)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3719374
31557,O=S1(=O)Cc2ccccc2C1CCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67899907
31558,OC1CCN(CCN2CCN(c3ccccc3-c3ccc4ncccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7478862
31559,Oc1cccc2cc(-c3cccc(CN4CCN(CCCCl)CC4)c3)ccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63623744
31560,C=CCc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77190644
31561,CC(=O)NOc1ccc(OCCNS(=O)(=O)c2cccc(F)c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.02612346
31562,CC(C)c1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3cccc(F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.729679
31563,CCCN(c1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1)C1CCc2ccc(O)cc2C1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7543808
31564,CCCOc1ccc(ON=S(C)(=O)O)c(CCCc2ccc3nc(C(C)=O)ccc3c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04168388
31565,CCCOc1ccc(OOC)c(N2CCCC(CCc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29335833
31566,CCCOc1ccc(OOC)c(NC2CCC(Cc3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2603061
31567,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)Cc2ccc3c(c2)CCCC(=O)N3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.050627068
31568,CCNC(=O)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5217444
31569,CCOc1ccccc1N1CCN(CCN2CCC(C(=O)c3cnn4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7368796
31570,CN1CCN(CCNC(=O)c2ccc(Cl)c(-c3cccc(C#N)c3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.28931698
31571,CNC(=O)c1cc2c(cc1Br)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46998984
31572,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3cc4ccccc4[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.47544545
31573,COCCCN1CCN(Cc2cccc(-c3cc4ccc3CCc3ccc(cc3)CC4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6374682
31574,COCCOc1ccc(OC)c(N2CCC(c3cc(F)ccc3NC(C)=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13944048
31575,COCCOc1ccc(OCC(=O)Nc2ccc(F)c(F)c2)c(CN2CCCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.028773215
31576,CON1CCN(CCNC(=O)c2ccc(C=O)c(-c3ccccc3[N+](=O)[O-])c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3574535
31577,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1Oc1ccccc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3216942
31578,COc1cc2c(cc1O)C1Cc3cccc(-c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7288854
31579,COc1cc2c(cc1O)C1Cc3cccc(C(=O)N(C)Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55547225
31580,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cccc(CO)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69267064
31581,COc1cc2c(cc1OC)C(=O)N(COc1ccc(OCCNS(C)(=O)=O)cc1C)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.2529237
31582,COc1cc2c(cc1OC)C1Cc3cccc(C(O)c4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72029495
31583,COc1ccc(CO[O-])c(-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63667583
31584,COc1ccc(OCCN2CCC(Oc3ccc4c(c3)NC(=O)CC4)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.63048285
31585,COc1ccc(OCCN2CCC(c3ccccc3OCC3CC3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6655929
31586,COc1ccc(OCCS(=O)(=O)N(C)C)cc1N1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2646677
31587,COc1ccc(OCCc2ccc(C(C)=O)cc2)cc1CN1CCC(S(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.36665925
31588,COc1cccc(CC(=O)Nc2cc(OCCF)ccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.008328197
31589,COc1cccc(CN2CCN(CCCCNC34C=CC=CC3=CC=C(C)C4=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5440372
31590,COc1cccc2c1CN1CCc3cc(-c4cc[nH]c4CO)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66976434
31591,COc1cccc2c1CN1CCc3cc(C4CCCC4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6072978
31592,COc1ccccc1-c1cc(C(=O)NCCN2CCN(O)CC2)ccc1S(C)(=O)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35639188
31593,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3c(Br)ccc(OC)c3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8135443
31594,CS(=O)(=O)Oc1ccc(OCCF)cc1CN1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.42622456
31595,CSOc1ccc(OCCN2CCC(c3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6689562
31596,Cc1cc(OCCC(C)COc2ccc3c(c2)NC(=O)CC3)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.23592418
31597,Cc1cc(OCCC(F)COc2ccc3c(c2)NC(=O)CC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.15348072
31598,Cc1cc(OCCCN2CCN(Cc3ccccc3)CC2)ccc1OF,[*]CCOc1ccc(O[*])c([*])c1,0.5416753
31599,Cc1cc(OCCN2CCCC(Cc3ccc(F)cc3)C2)ccc1OCS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.32786915
31600,Cc1ccc(OC2CCN(CCOc3ccc(ON=S(C)(=O)O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.40714258
31601,Cc1cccc(COc2cc3c(cc2O)C2Cc4cccc(C)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57457024
31602,Cc1ccccc1N1CCN(CCN2CCC(CCc3cccs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6602031
31603,Clc1ccccc1N1CCN(CCN2CCC(c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8461996
31604,O=C(Cc1ccccc1)Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.242752
31605,O=C1c2ccccc2C(=O)N1CCCCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7681048
31606,O=S(=O)(NCc1cccc(CN2CCN(CCCF)CC2)c1)c1cccc(F)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55376536
31607,OCc1cccc2c1CN1CCc3cc(Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7952079
31608,Oc1cccc(CN2CCN(CCCc3ccc(F)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.689077
31609,CC(=O)Oc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5018627
31610,CCCOc1ccc(OC(=O)COc2ccccc2)c(N(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.046261556
31611,CCCOc1ccc(OC(F)CCc2ccccn2)c(N(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.102204815
31612,CCCOc1ccc(OCN2CCCN(c3ccccc3OC)CC2)c(N)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7884704
31613,CCCOc1ccc(ON)c(N2CCN(c3ccc(C(C)=O)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14531605
31614,CCCOc1ccc(ONCCc2ccccc2)c(N=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08982342
31615,CCCOc1ccc(ONS(C)(=O)=O)c(CC2CNCCN2c2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22884433
31616,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(c3ccc(OCCF)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30553916
31617,CCCOc1cccc2c1CN1CCc3cc(Cl)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68008685
31618,CCN1CCN(CCOc2ccc(OOS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.34634355
31619,CCOc1ccccc1C1CCN(CCOc2ccc(ONS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6170422
31620,CCOc1ccccc1OCCCOc1ccc(ONC)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08709976
31621,CCc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccc4)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7992902
31622,COCCOc1ccc(OC)c(CC(C)Cc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25144657
31623,COCCOc1ccc(OC)c(N2CCC(c3cccc(OC)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.45346627
31624,COOc1ccc(OCCNCCCc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.25474688
31625,COc1cc2c(cc1C)CCN1Cc3c(cccc3-c3ccccc3C#N)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62687385
31626,COc1cc2c(cc1CC#N)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78187215
31627,COc1cc2c(cc1Cc1cccc(O)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7214956
31628,COc1cc2c(cc1O)CCN1Cc3c(F)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8511213
31629,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccccc3[N+](=O)[O-])CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50636935
31630,COc1cc2c(cc1OC)C1Cc3cccc(C#Cc4ccccc4F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8398057
31631,COc1cc2c(cc1OS(=O)(=O)C(F)(F)F)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6844794
31632,COc1ccc(Br)cc1C(=O)c1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70584047
31633,COc1ccc(OCCC(F)CCc2ccccc2)cc1C(=O)NCC1CCCN1,[*]CCOc1ccc(O[*])c([*])c1,0.12350705
31634,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6500813
31635,COc1ccc(OCCN2CCCCC2)cc1NS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.2344838
31636,COc1ccc(OCCN2CCN(Cc3ccc(F)cc3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.50692505
31637,COc1ccc(OCCNC(C)=O)cc1NCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.095354274
31638,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(Oc2ccc(CC3CCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20431478
31639,COc1ccc(OCCS(C)(=O)=O)cc1NC(=O)COc1ccc(C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.008085847
31640,COc1ccc(OCCSC)cc1C(C)COc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.19996664
31641,COc1ccc(OCCSC)cc1CC(=O)COc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.038396142
31642,COc1cccc(CN2CCN(CCCN3C(=O)C(C)(O)c4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.536365
31643,COc1cccc2c1CN1CCc3cc(C(O)Cc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6689065
31644,COc1ccccc1-c1cccc(CN2CCN(CCCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6883836
31645,COc1ccccc1C(=O)NCC1CCN(CCN2CCN(c3ccccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.86614203
31646,COc1ccccc1N1CCN(CCN2CCC(COc3cccn4nccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.88417774
31647,COc1ccccc1N1CCN(CCN2CCC(n3cnc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9046889
31648,CSOc1ccc(OCCNCCc2ccc3c(c2)OCC(=O)C3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.099475585
31649,Cc1cc(OCCC(N)=O)ccc1ON1CCN(c2cc(F)ccc2F)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20784366
31650,Cc1cc(OCCN2CCCC(O)(c3ccc(Cl)cc3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.37716812
31651,Cc1cccc2c1CN1CCc3cc(-c4cccc(F)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6014379
31652,Cc1ccccc1N1CCN(CCN2CCC(c3nc(-c4ccccc4)n(C)c3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6168174
31653,O=C1C=C(c2ccccc2)CN1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62727857
31654,O=C1c2ccccc2CCN1Cc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7641057
31655,O=[N+]([O-])c1ccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44274428
31656,OC=Cc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7504809
31657,OCc1cccc(CN2CCN(CCCc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7537902
31658,Oc1ccc(-c2cccc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)c2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7495575
31659,Oc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6990347
31660,Oc1nc(F)cn1C1CCN(CCN2CCN(c3ccccc3OC(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8116581
31661,CC1CCN(CCN2CCN(c3ccccc3S(=O)(=O)Cc3ccc(C#N)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6140837
31662,CCCCc1ccc(Nc2cc(OCCC)ccc2OS(C)(=O)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.0446379
31663,CCCOc1ccc(OCNS(C)(=O)=O)c(N2CCC(c3ccccc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21294755
31664,CCCOc1ccc(OF)c(CN2CCN(C(=O)c3ccc(CCO)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.080300465
31665,CCCOc1ccc(OF)c(CN2CCN(c3cccc(C(C)C)c3)C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31814912
31666,CCCOc1ccc(ON=S(C)(=O)O)c(C(C)Cc2ccc(C3CCN(C)CC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28427765
31667,CCCOc1ccc(ON=S(C)(=O)O)c(NC(=O)Cc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.008305097
31668,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(Cc3ccc(SC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27993345
31669,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCCC(c3ccc(CC(C)=O)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13810289
31670,CCCOc1ccc(OS(C)(=O)=O)c(CCN2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.63593215
31671,CCCOc1ccc(OS(C)(=O)=O)c(CNCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09695352
31672,CCCOc1ccc(OS(N)(=O)=O)c(CCC2CC(=O)CSc3ccccc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19110382
31673,CCCOc1ccc(OS(N)(=O)=O)c(CCCc2ccc3c(c2)NC(C)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.42249385
31674,CCCOc1ccccc1Nc1cc(OCCS(C)(=O)=O)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.0804157
31675,CCOC(=O)NOc1ccc(OCCN2CCN(c3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.49320826
31676,CCOc1ccccc1-c1cc(C(=O)NCCN2CCN(C)CC2)ccc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3380816
31677,CCOc1ccccc1N1CCN(CCCOc2ccc(ONS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.80246055
31678,CCOc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76391554
31679,COC1CCN(CCN2CCN(c3ccccc3-c3cccc(C#Cc4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.86780185
31680,COC1CCN(CCN2CCN(c3ccccc3C(O)c3ccc4c(c3)NC(=O)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6842428
31681,COCCCN1CCN(Cc2cccc(N3C(=O)c4ccccc4CC3C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.73514867
31682,CON1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.16850172
31683,COOc1ccc(OCCc2ccc(F)cc2)cc1CCN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.46169263
31684,COc1cc(C(=O)NCCN2CCN(O)CC2)ccc1-c1cccs1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27694726
31685,COc1cc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.88738257
31686,COc1cc2c(cc1-c1c[nH]c(CO)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7946233
31687,COc1cc2c(cc1C)CCN1Cc3c(cccc3C(=O)OC(C)(C)C)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51472753
31688,COc1cc2c(cc1CNCc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65030557
31689,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7340879
31690,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc(OC)c5ccccc45)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7583949
31691,COc1ccc(C(=O)NCCN2CCN(O)CC2)cc1-c1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.37420207
31692,COc1ccc(OCCF)cc1CN1CCc2cc(OC)c(OC)cc2CC1,[*]CCOc1ccc(O[*])c([*])c1,0.56017405
31693,COc1ccc(OCCF)cc1S(=O)(=O)c1cccc(C(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08269275
31694,COc1ccc(OCCN2CCC(C(C)c3ccc(F)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.60416096
31695,COc1ccc(OCCN2CCC(Cc3ccccc3C=O)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5799392
31696,COc1ccc(OCCN2CCN(c3cccc(OCC(F)(F)F)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.7402448
31697,COc1ccc(OCCNC(=O)Cc2ccc3c(c2)OC(=O)CC3)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.059757214
31698,COc1ccc(OCCNC(=O)c2ccccc2)cc1N1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.12656803
31699,COc1ccc(OCCS(=N)(=O)O)cc1NCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.077507354
31700,COc1cccc(-c2cccc(CN3CCN(CCCOCCF)CC3)c2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6223563
31701,COc1cccc2c1CN1CCc3cc(-c4cc(C(F)(F)F)c[nH]4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6875144
31702,COc1cccc2c1CN1CCc3cc(O[N+](=O)C(C)=O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4411869
31703,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(OC)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3428332
31704,COc1ccccc1N1CCN(CCN2CCC(c3cccc(-c4cccs4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8142283
31705,Cc1cc(OCCCCCCc2ccccc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.07222744
31706,Cc1cc(OCCCOCc2ccccc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10554906
31707,Cc1cc(OCCN2CCCC(Cc3ccccc3)C2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.38994303
31708,Cc1cc(OCCNCc2ccccc2)ccc1ONOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2589453
31709,Cc1ccc(Oc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.772336
31710,O=C(NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)c1cccc2ccccc12,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9097661
31711,O=C1c2ccccc2C(=O)N1c1ccccc1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61225235
31712,C=CC1Cc2ccccc2N1C(=O)CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6461308
31713,CC(=O)c1ccc(CC2CCN(Oc3ccc(OCCOS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.08207969
31714,CCC1CCCN(c2cc(OCCS(C)(=O)=O)ccc2OC)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2512228
31715,CCCOc1ccc(OC=O)c(N2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3219781
31716,CCCOc1ccc(OCN=S(C)(=O)O)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.064212844
31717,CCCOc1ccc(OF)c(CCN2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7505328
31718,CCCOc1ccc(OF)c(CN2CCN(C(C)=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12007924
31719,CCCOc1ccc(ONC(C)=O)c(CN2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5194365
31720,CCCOc1ccc(OS(C)(=O)=O)c(C(=O)CCc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1692302
31721,CCCOc1ccc(OS(C)(=O)=O)c(N2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26630077
31722,CCN1CC(c2ccccc2)CC1c1cc(OCCNC(C)=O)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.11545751
31723,CN(OCc1ccccc1)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6087845
31724,COC1CCN(CCN2CCN(c3ccccc3-c3cc(O)nc4ccc(O)cc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6625586
31725,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccnc(F)c4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7222081
31726,COC1CCN(CCN2CCN(c3ccccc3-n3ccnc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64025545
31727,COCCCN1CCN(Cc2cccc(N3CCC3c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6533234
31728,COCc1cccc(CN2CCN(CCCCN3c4ccccc4CCS3(=O)=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7350613
31729,CON1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(-c3ccccc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33110783
31730,COOc1ccc(OCCNS(=O)(=O)c2cccc3ccccc23)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.07548138
31731,COc1cc(C(=O)NCCN2CCN(O)CC2)ccc1-c1ccccc1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32503384
31732,COc1cc2c(cc1C)CCN1Cc3c(cccc3-c3cccc(C#N)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59711695
31733,COc1cc2c(cc1O)C1Cc3cccc(COCc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76605254
31734,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(CO)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67492056
31735,COc1ccc(CCN2CCCC2)cc1S(=O)(=O)NOc1ccc(OCCF)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.3607833
31736,COc1ccc(COc2cccc(-c3cccc4c3CN3CCc5cc(OC)c(O)cc5C3C4)c2)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5345662
31737,COc1ccc(OCCC(F)COc2ccccc2C)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08308115
31738,COc1ccc(OCCC(N)=O)cc1C1CCN(CC(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3496162
31739,COc1ccc(OCCCC(=O)c2ccc(F)cc2)cc1N1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29920545
31740,COc1ccc(OCCN=S(C)(=O)O)cc1COc1ccccc1C1CCCNC1,[*]CCOc1ccc(O[*])c([*])c1,0.16336435
31741,COc1ccc(OCCNC(=O)c2ccc(F)c(Cl)c2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.023211997
31742,COc1ccc(OCCS(C)(=O)=O)cc1C1CCC(COc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3012248
31743,COc1ccc(OCCSC)cc1CN1CCN(C(=O)c2ccc(SC)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.08967
31744,COc1ccc2ccc(C(O)c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)cc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6004533
31745,COc1ccc2ccc(OC3CCN(CCOc4ccc(OC)c(OS(C)(=O)=O)c4)CC3)cc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.53946286
31746,COc1cccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2S(C)(=O)=O)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3132333
31747,COc1cccc(C(=O)CCCN2CCN(Cc3cccc(Cl)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5729997
31748,COc1cccc(CN2CCN(CCCCCNC(=O)c3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5925139
31749,COc1cccc(CN2CCN(CCCOc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70010674
31750,COc1cccc(COCc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.782185
31751,COc1cccc2c1CN1CCc3cc(NCCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4673164
31752,Cc1cc(OCCCS(=O)(=O)c2ccc(F)cc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06539616
31753,Cc1cc(OCCCS(=O)(=O)c2cccc(F)c2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08286879
31754,Cc1cc(OCCN2CCN(Cc3ccco3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.37511057
31755,FC(F)(F)Oc1cccc(CN2CCN(CCCCc3ccc4ccccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62244844
31756,Fc1ccccc1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.75433654
31757,O=C(CCCCN1CCN(Cc2cccc(Cl)c2)CC1)Nc1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.38613832
31758,O=C(NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)c1cccnc1O,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7604587
31759,O=C(NCCCN1CCN(Cc2cccc(Cl)c2)CC1)c1ccc2ccccc2n1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.42188326
31760,Oc1nc2ccccc2cc1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7558228
31761,C=CCOc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.80078703
31762,CC(=O)Nc1cccc(-c2cccc(CN3CCN(CCCCl)CC3)c2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.32320136
31763,CCCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67110115
31764,CCCOc1ccc(OC(=O)COc2ccccc2)c(NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.030442988
31765,CCCOc1ccc(ONC)c(CCN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8547682
31766,CCCOc1ccc(ONS(C)(=O)=O)c(C(C)COc2ccc3c(c2)NC(=O)CCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18547802
31767,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3ccccc3Cl)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3019309
31768,CCCOc1ccc(OSC)c(N2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39537722
31769,CCCc1ccn(CCCOc2ccc(OC)c(N=S(C)(=O)O)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.099316396
31770,CN(C)c1ccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7370018
31771,CNCCC1CCc2ccc(OC(=O)Nc3cc(OCCF)ccc3OC)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.22366339
31772,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccc4cccn4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.46424115
31773,COCCOc1ccc(OC)c(CCOc2ccccc2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12395867
31774,COCCOc1ccc(OC)c(CN2CCC(c3cccc(C(F)(F)F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5714824
31775,COCCOc1ccc(OC)c(N2CCC(CCc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.47770002
31776,CON1CCN(CCNC(=O)c2ccc(S(C)(=O)=O)c(-c3ccc(C)cc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.15666495
31777,COOc1ccc(OCCN2CCN(Cc3cccc(C(C)=O)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.32743466
31778,COc1cc2c(cc1-c1cccc(C)c1C)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.679621
31779,COc1cc2c(cc1O)C1Cc3cccc(CC(=O)NCc4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3643507
31780,COc1cc2c(cc1O)CCN1Cc3c(cccc3N(C)Cc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7569968
31781,COc1ccc(-c2cc(C(=O)NCCN3CCN(Cl)CC3)ccc2F)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.324899
31782,COc1ccc(COc2cccc3c2CN2CCc4cc(C#N)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.655114
31783,COc1ccc(OCCC(=O)CCc2ccccc2)cc1CN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.21945736
31784,COc1ccc(OCCN2CCN(c3cccc(C(F)(F)F)c3)C2=O)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.50875777
31785,COc1ccc(OCCNC(=O)C2CCCCC2)cc1CS(=O)(=O)c1cc(Cl)ccc1NC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.039330527
31786,COc1ccc(OCCNS(=O)(=O)Cc2ccc(F)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.081944205
31787,COc1ccc(OCCNS(C)(=O)=O)cc1NCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.08654572
31788,COc1ccc(OCCSCc2ccc(F)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.06158237
31789,COc1cccc(CN2CCN(CCCCCc3cccc(=O)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6638387
31790,COc1cccc2c1CN1CCc3cc(-c4ccc(C)c(C#N)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6499033
31791,COc1ccccc1-c1cc(C(=O)NCCN2CCN(F)CC2)ccc1C#N,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.40213147
31792,COc1ccccc1C(=O)NCCOc1ccc(ON2CCN(c3ccccc3OC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25506803
31793,COc1ccccc1N1CCN(CCN2CCC(c3cnc4ccc(F)cn34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71544886
31794,COc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccnc5ccccc45)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81358474
31795,COc1cccn1-c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64585245
31796,CSc1ccc(OC2CCN(CCOc3ccc(OC=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.4881313
31797,Cc1cc(OCCCS(C)(=O)=O)ccc1ON1CC=C(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18756256
31798,Cc1cccc(C(=O)NC2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7072934
31799,Cc1cccc(CN2CCN(CCCN3CC(=O)N(c4ccccc4)C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55703056
31800,Cc1ccccc1N1CCN(CCN2CCC(C(=O)C=Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65096563
31801,Cc1ccccc1N1CCN(CCN2CCC(n3c(=O)ccc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.58260024
31802,FC(F)(F)CCCN1CCN(Cc2cccc(-c3ccc(Cl)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6310047
31803,FC(F)(F)c1ccccc1N1CCN(CCN2CCC(c3cccc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7574846
31804,Fc1cccc(-c2ccc(C3CCN(CCN4CCN(c5ccccc5Cl)CC4)CC3)nc2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77570283
31805,O=C(NC1CCCCCC1)c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5059285
31806,O=C(NCc1cccc(CN2CCN(CCCCO)CC2)c1)c1cc2ccccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5199162
31807,O=c1c(O)cccc2c(-c3cccc(CN4CCN(CCCCl)CC4)c3)cccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.47405994
31808,O=c1sc2ccccc2[s+]1-c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5881844
31809,Oc1cc2c(cc1C(O)c1ccccc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6130093
31810,Oc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68282366
31811,Oc1cc2ccccc2n1CCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72254413
31812,C=CCN1CCCCC1C(=O)NCc1cc(OCCF)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.12259139
31813,CC1CCN(CCN2CCN(c3ccccc3-c3nccc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79210436
31814,CCCOc1ccc(OCCCc2ccccc2)c(Nc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.113268375
31815,CCCOc1ccc(ON=S(C)(=O)O)c(CN2CCC(Oc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.49826708
31816,CCCOc1ccc(ONC)c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28670874
31817,CCCOc1ccc(OOC)c(CNC(=O)c2ccc(C)o2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.014881418
31818,CCCOc1ccc(OS(C)(=O)=O)c(CC2CCc3ccc(CC4CCCC4)cc3C2O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2827982
31819,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)Cc2ccc3c(c2)NCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06372748
31820,CCCOc1ccc(OSC)c(CN2CCCN(c3ccccc3OCCF)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7435875
31821,CCNCCOc1ccc(OC)c(NS(=O)(=O)c2ccccc2C#N)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17403044
31822,CCON=Cc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7405928
31823,CCOc1ccccc1N1CCN(CCCOc2ccc(OO)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.87234926
31824,CCc1cc(OCCNC(=O)Cc2ccc3c(c2)CC(=O)CC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.054005325
31825,CCc1cc2c(cc1CNc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38707379
31826,CNC(=O)CCOc1ccc(OCNS(=O)(=O)c2ccccc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.017046925
31827,COC1CCN(CCN2CCN(c3ccccc3-c3cc4ccc(O)cc4[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.695236
31828,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65069795
31829,COCCCN1CCN(Cc2cccc(C(=O)N3C=CC=CCC3C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5113391
31830,COOc1ccc(OCCNS(=O)(=O)c2cccc(F)c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.08219266
31831,COc1cc2c(cc1O)C1Cc3cccc(C=Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8392963
31832,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc5cccc(OC)c5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77811384
31833,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc5c(c4)NC(=O)CO5)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59976333
31834,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)OCc4cccc([N+](=O)[O-])c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3345239
31835,COc1cc2c(cc1OC)C1Cc3cccc(N(C)c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8263794
31836,COc1ccc(C(=O)NCCN2CCN(c3ccccc3OC(C)C)CC2)cc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.8815023
31837,COc1ccc(CC2CCN(COc3ccc(OCCNS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.3502686
31838,COc1ccc(OCCCNS(=O)(=O)c2ccc(F)cc2)cc1CN(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08797961
31839,COc1ccc(OCCN)cc1CCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.1123731
31840,COc1ccc(OCCNC(=O)Cc2ccc3c(c2)CCNC3)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.05907911
31841,COc1ccc(OCCS(C)(=O)=O)cc1C1CCN(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5711866
31842,COc1ccc(OCCS(C)(=O)=O)cc1C1CCN(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6285491
31843,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(CC2CCCNC2)=CC=C2C=CC(CC1)O2,[*]CCOc1ccc(O[*])c([*])c1,0.2727687
31844,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(CCc2ccc3c(c2)CCCC(=O)N3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.35678947
31845,COc1ccc(OCCS(N)(=O)=O)cc1CCCc1ccc2c(c1)CC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.21620123
31846,COc1ccc(OCCS(N)(=O)=O)cc1N1CCC(Oc2ccccc2CC2CCC2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.28316626
31847,COc1cccc2c1CN1CCc3cc(-c4ccn[nH]4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62530696
31848,COc1cccc2c1CN1CCc3cc(C(=O)OC(C)(C)C)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5328049
31849,COc1cccc2c1CN1CCc3cc(C)c(-c4cccc(N(C)C)c4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6702185
31850,COc1cccc2c1CN1CCc3cc(Cc4ccc(Br)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69610983
31851,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cc4ccccc4s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.90467614
31852,Cc1cc(OCCCC(=O)c2ccc(F)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.0638838
31853,Cc1cc(OCCN(C)C)ccc1OCCOc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.26713836
31854,Cc1cc(OCCNC(=O)CCc2ccc3c(c2)CC(=O)CC3)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06622487
31855,Cc1cc(OCCNC(=O)c2ccccc2F)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.026352536
31856,Cc1cc(OCCNS(=O)(=O)c2ccccc2F)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.050337587
31857,Cc1cc(OCCOS(C)(=O)=O)ccc1ONCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.084594354
31858,ClC1CCN(CCN2CCN(c3ccccc3CNc3ccc(-c4ccccc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7391625
31859,Clc1ccc(-c2ccc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)nc2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7877495
31860,N#CCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6732379
31861,O=C(c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)C1CC1c1ccccc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70172983
31862,Oc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6772855
31863,C#CCN(c1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1)C1C=Cc2ccc(O)cc2C1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69349515
31864,C#Cc1cccc(C(=O)c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5408033
31865,CC(C)Oc1ccccc1N1CCN(CCN2CCC(C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8996977
31866,CC(C)Oc1ccccc1N1CCN(CCN2CCC(F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8115424
31867,CCCC(=O)Nc1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.27541858
31868,CCCOc1ccc(OC)c(S(=O)(=O)c2ccccc2C(N)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03485414
31869,CCCOc1ccc(ON2CCC(c3nc(CCC)cc4ccc(F)cc34)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39040092
31870,CCCOc1ccc(ONS(C)(=O)=O)c(CC(C)Cc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20870404
31871,CCCOc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7493518
31872,CN1CCN(CCNC(=O)c2ccc(Br)c(-c3ccccc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31659403
31873,CNC(=O)C1=CC=C2CCC(C=C1)C(CNCCOc1ccc(OSO)c(C)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.077798836
31874,COC(=O)c1ccc(-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c2ccccc12,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3868878
31875,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7430452
31876,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4ncc5cc(O)ccc5c4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7493266
31877,COCCCN1CCN(Cc2cccc(-c3cc(-c4ccc(F)cc4)no3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55793023
31878,COCCCN1CCN(Cc2cccc(Cn3cc(C)c(-c4ccccc4)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58522516
31879,COCCOc1ccc(OCN2CCN(c3cccc(C(C)=O)n3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23875652
31880,COc1cc2c(cc1Cl)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7876704
31881,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc5cc(C(=O)O)[nH]c5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5289552
31882,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)NCc4ccc(C(C)=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4745168
31883,COc1cc2c(cc1Oc1ccc(C)cc1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65540016
31884,COc1ccc(C(=O)NCCN2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.60714173
31885,COc1ccc(OCCCN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.7097061
31886,COc1ccc(OCCN2CCC(C(C)c3ccccc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.57917684
31887,COc1ccc(OCCN2CCC(Oc3ccc(CC4CCCCC4)cc3)CC2)cc1S(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4830735
31888,COc1ccc(OCCN2CCCC(Cc3ccc(F)cc3)C2)cc1S(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.41203085
31889,COc1ccc(OCCN=S(C)(=O)O)cc1CC1CCc2cc(CC3CCCCC3)ccc2C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.15480323
31890,COc1ccc(OCCS(N)(=O)=O)cc1C(O)COc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.22966601
31891,COc1ccc(OCCS(N)(=O)=O)cc1COCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.09010438
31892,COc1cccc(CC(=O)NCCOc2ccc(ON3CCN(C)CC3)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09376875
31893,COc1cccc(CN2CCN(CCCC3C(=O)NCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6442352
31894,COc1cccc(CN2CCN(CCCCOc3ccc4ccoc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.699559
31895,COc1cccc(CN2CCN(CCCN3CCN(c4cccc5c4C(=O)N(c4ccccc4)C5=O)C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60727644
31896,COc1cccc2c1CN1CCc3cc(-c4cccc([N+](=O)[O-])c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4642899
31897,COc1cccc2c1CN1CCc3cc(COCc4ccc(C#N)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71329325
31898,Cc1cc(OCCCN2CCC(Oc3ccc(F)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6554542
31899,Cc1cc(OCCF)ccc1OCN1CCN(C=[SH]C(=O)c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.17983508
31900,Cc1cc(OCCc2cc(C[SH](=O)=O)ccc2OC2CCNCC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.15117028
31901,Cc1ccsc1-c1cc(C(=O)NCCN2CCN(Cl)CC2)ccc1F,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2820595
31902,Clc1cccc(CN2CCN(CCCc3ccc(NC4CCCCC4)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.45179275
31903,Fc1ccc(-c2ccn(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)c2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78665084
31904,N#Cc1cccc(C(=O)c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80926126
31905,N#Cc1ccccc1N1CCN(CCN2CCC(O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8074654
31906,O=C1CCc2ccc(Oc3cccc(CN4CCN(CCCC(F)(F)F)CC4)c3)cc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.698677
31907,c1ccc(OCCCN2CCN(Cc3cccc(Cc4cc5ccccc5o4)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7549182
31908,CCCN1CCC(CCOc2ccc(OC)c(S(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5606249
31909,CCCOc1ccc(OC(=O)COc2ccc(CF)cc2)c(N(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03817297
31910,CCCOc1ccc(ON(C)S(C)(=O)=O)c(N2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3163276
31911,CCCOc1ccc(ON2CCCN(c3ccccc3OC)CC2)c(C(N)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19582474
31912,CCCOc1ccc(ON2CCN(Cc3ccccc3OC)CC2)c(SC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6122517
31913,CCCOc1ccc(ON=S(C)(=O)O)c(C2CCCC(Cc3ccc4c(c3)CCC(=O)N4)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2272925
31914,CCCOc1ccc(OOC)c(N2CCCN(c3ccccc3OCC)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32691363
31915,CCCOc1ccc(OSC)c(NC(=O)c2ccc3ccccc3c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.023025885
31916,CCN(C(=O)C1CCCCC1)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53081167
31917,CCNC(=O)N(C)Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46768603
31918,CNC(=O)CCOc1ccc(OC)c(N2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1469762
31919,CNS(=O)(=O)CCOc1ccc(ON2CCC(Cc3ccc(F)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23664913
31920,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8450533
31921,COCCCN1CCN(Cc2cccc(-n3c(=O)oc4ccccc4c3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5218495
31922,COCCCN1CCN(Cc2cccc(C3NC(=O)c4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6211884
31923,COCCOc1ccc(OOCCF)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7805462
31924,COOc1ccc(OCCN2CCN(c3ccc(F)c(F)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6264488
31925,COc1cc2c(cc1C(C)=O)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48830506
31926,COc1cc2c(cc1C=NOc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6729711
31927,COc1cc2c(cc1O)C1Cc3cccc(-c4ccccn4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6710088
31928,COc1cc2c(cc1O)CCN1Cc3c(CCc4ccc(F)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8159525
31929,COc1cc2c(cc1O)CCN1Cc3c(CCc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.83889234
31930,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)c3ccc4ccccc4c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54820436
31931,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(C#Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.755498
31932,COc1ccc(OCCCC(=O)Cc2ccc3c(c2)NC(=O)CC3)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.19024917
31933,COc1ccc(OCCCS(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07197809
31934,COc1ccc(OCCN2CCCC(O)(c3ccc(Cl)cc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.44690228
31935,COc1ccc(OCCS(C)(=O)=O)cc1Oc1ccc(CC(F)(F)F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06281724
31936,COc1ccc2oc(C3CCN(CCN4CCN(c5ccccc5OC)CC4)CC3)cc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77967227
31937,COc1cccc(CN2CCN(CCCC3OC(=O)c4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.607628
31938,COc1cccc(CN2CCN(CCCc3cccc(NC(=O)Cc4ccccc4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.25273618
31939,COc1cccc2c1CN1CCc3cc(O)c(COc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62355274
31940,COc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccc(F)cc4)ccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82570654
31941,COc1ccccc1N1CCN(CCN2CCC(c3ccc(C#N)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87868536
31942,CSc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80038774
31943,CSc1ccccc1N1CCN(CCN2CCC(n3ccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7565227
31944,Cc1cc(OCCC(C)Cc2ccc3c(c2)NC(=O)CC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.14455406
31945,Cc1cc(OCCN2CCN(c3ccc(F)cc3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.750309
31946,Cc1cc(OCCNC(=O)COc2ccc3c(c2)CCCC3)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.03772585
31947,Cc1cc(OCCNS(=O)(=O)O)ccc1ON1CCC(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1519991
31948,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCOC(CCc2ccc(S(N)(=O)=O)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.13178606
31949,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCC(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20921859
31950,Cc1ccc(Oc2cc3c(cc2OCc2ccccc2)CCN2Cc4c(O)cccc4CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66274446
31951,ClC1CCN(CCN2CCN(c3ccccc3-c3cccc4nccnc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7931254
31952,FC(F)(F)c1ccccc1N1CCN(CCN2CCC(n3cccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8134996
31953,Fc1cccnc1C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8872924
31954,O=C(Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)[N+](=O)c1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38733202
31955,O=C(Nc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2)Nc1ccccc1Cl,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.37132287
31956,O=C(OCc1ccccc1)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46059832
31957,O=[N+]([O-])c1ccccc1N1CCN(CCN2CCC(Oc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5540009
31958,O=c1sc2ccccc2n1-c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.679624
31959,Oc1ccccc1-c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6746591
31960,Oc1ccccc1N1CCN(CCN2CCC(c3ccc(C(F)(F)F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78701764
31961,CC(=O)C1CCN(CCN2CCN(c3ccccc3-c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7816914
31962,CC(C)Oc1ccccc1N1CCN(CCN2CCC(Cc3cc4ccccc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7894832
31963,CC1OC(c2cccc(CN3CCN(CCCCl)CC3)c2)=CC1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63459253
31964,CC=[SH](O)=Cc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6144521
31965,CCCOc1ccc(OC)c(CN2CCN(C(=O)c3cccc(Cl)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09530414
31966,CCCOc1ccc(ON2CCN(C)CC2)c(-c2cccc(NC(C)=O)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14498399
31967,CCCOc1ccc(ON2CCN(c3ccccc3OC)C(=O)C2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2267177
31968,CCCOc1ccc(ON=S(N)(=O)O)c(NCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06457876
31969,CCCOc1ccc(ONc2ccccc2OCCC)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.119935445
31970,CCCOc1ccc(OOC)c(CCNC(=O)c2ccccc2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.025355445
31971,CCCOc1ccc(OS(C)(=O)=O)c(C(C)COc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21397915
31972,CCCOc1ccc(OS(C)(=O)=O)c(CCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09579365
31973,CCCOc1ccc(OS(C)(=O)=O)c(Cn2ccc(C=O)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0898565
31974,CCc1cc2c(cc1-c1ccc3ccccc3c1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67526084
31975,CCc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccc4)nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7248894
31976,COC(=O)N1c2ccccc2CC1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57841283
31977,COC(=O)c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35142258
31978,COC1CCN(CCN2CCN(c3ccccc3-c3ccncn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7747175
31979,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4c(c3)NCC(O)=N4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8038314
31980,COCCCOc1ccc(OC)c(N2CCCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23504362
31981,CON=S(C)(=O)Oc1ccc(OCCNCc2cccs2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.1161828
31982,COc1cc2c(cc1O)C1Cc3cccc(CCc4ccc(O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8330393
31983,COc1cc2c(cc1O)C1Cc3cccc(NC(=O)c4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35194522
31984,COc1cc2c(cc1O)C1Cc3cccc(Oc4cccc(C=O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6379923
31985,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc4c(CO)cccc4c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66575754
31986,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(NC5CCCCC5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35699707
31987,COc1cc2c(cc1OC1CCCCC1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59251595
31988,COc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)nc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6489071
31989,COc1ccc(NCc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58354855
31990,COc1ccc(OCCF)cc1CN1CCN(c2ccc(C(C)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.42892328
31991,COc1ccc(OCCN2C=CN(C(C)=O)CC2)cc1-c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.1874193
31992,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCS(=O)(=O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.16436644
31993,COc1ccc(OCCS(=O)(=O)c2ccc(CC(F)(F)F)cn2)cc1NC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.015283555
31994,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(CC2CCCCC2)=CC=C2C=CC(CC1)O2,[*]CCOc1ccc(O[*])c([*])c1,0.22340907
31995,COc1cccc(-c2ccc(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)cc2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81341714
31996,COc1cccc2c1CN1CCc3cc(CCn4cccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7729319
31997,COc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccccc4)cnc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7999864
31998,COc1ccccc1N1CCN(CCN2CCC(c3ccc(-n4ccnc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82895696
31999,COc1ccccc1N1CCN(CCN2CCC(c3ccc(N(C)C)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83905095
32000,COc1ccccc1N1CCN(CCN2CCC(c3cccc(-c4ncccc4O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84465176
32001,COc1ccccc1N1CCN(CCN2CCC(c3nc4ccccc4[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.89687496
32002,CSOc1ccc(OCCN2CCC(c3cccc(C(F)(F)F)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6693029
32003,CSc1ccc(CC2CCCN(Oc3ccc(OCCNS(C)(=O)=O)cc3C)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.21535867
32004,Cc1cc(OCCF)ccc1OCN1CCN(Cc2cc3ccccc3o2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5254754
32005,Fc1ccccc1N1CCN(CCN2CCC(c3cc4ccccc4[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6780648
32006,N#Cc1cccc(-c2cc3c(cc2Br)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6310347
32007,O=C1CSc2ccccc2N1CCCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.721081
32008,O=S(=O)(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1ccc(C(F)(F)F)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.55517876
32009,O=S(O)(=Cc1ccccc1)CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5822094
32010,CC(=O)c1ccc(CC2CCCN(Oc3ccc(OCCOS(C)(=O)=O)cc3C)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.09239694
32011,CC(C)C(=O)Nc1cccc(CCCCN2CCN(Cc3cccc(Cl)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.422181
32012,CCCOc1ccc(OCN2CCN(c3ccc(Cl)cc3)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.59123623
32013,CCCOc1ccc(OF)c(CC(=O)Nc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.006631443
32014,CCCOc1ccc(OOS(C)(=O)=O)c(NCCC2CCc3ccccc3C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23477727
32015,CCCOc1ccc(OS(C)(=O)=O)c(CCCc2ccccc2OC2CCCCN2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2013745
32016,CCCOc1ccc(OS(C)(=O)=O)c(NCCc2cccc(CCC)c2OC2CCNC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22886938
32017,CCCOc1ccc(OS(N)(=O)=O)c(C2CCN(CCc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6856317
32018,CCc1ccc(-c2cc3c(cc2OC)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73716414
32019,CNCc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6661023
32020,COC(=O)c1cccc(COc2cc3c(cc2OC)CCN2Cc4c(cccc4OC)CC32)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42686132
32021,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccc(O)cc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7191506
32022,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3cc4ccccc4o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5623458
32023,COC1CCN(CCN2CCN(c3ccccc3Cc3ccncc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77521026
32024,COC1CCN(CCN2CCN(c3ccccc3Cn3ccc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7411084
32025,COCC1CCN(c2cc(OCCNC(=O)c3cccs3)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19375397
32026,COCCOc1ccc(OCN2CCN(c3ccc(CCF)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.52553177
32027,COOc1ccc(OCCN2CCN(c3ccc(OCC(F)(F)F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6808757
32028,CO[N+](=O)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69853663
32029,COc1cc(C(=O)NCCN2CCN(O)CC2)ccc1-c1ccccc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2926827
32030,COc1cc2c(cc1CNc1ccc(C)cc1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35425836
32031,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)c3ccc([N+](=O)[O-])cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3987588
32032,COc1ccc(Cc2cc3c(cc2CO)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53216773
32033,COc1ccc(OCCC(=O)NS(C)(=O)=O)cc1CCOc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.021112973
32034,COc1ccc(OCCN(C)C)cc1N1CCN(CC(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.34561947
32035,COc1ccc(OCCN2CCN(c3ccc(F)cc3)CC2)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.67775226
32036,COc1ccc(OCCN=[SH](C)(C)O)cc1NCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.09474454
32037,COc1ccc(OCCNCCCc2ccc(F)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.23078318
32038,COc1ccc(OCCNCc2ccccc2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.30404374
32039,COc1cccc(CN2CCN(CCCS(=O)(=O)c3cc4ccccc4cc3OC)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4924196
32040,COc1cccc2c1CN1CCc3cc(OC(=O)Cc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5153145
32041,COc1ccccc1N1CCN(CCN2CCC(NC(=O)C=Cc3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83391964
32042,COc1ccccc1N1CCN(CCN2CCC(n3ccc(C#N)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9173152
32043,CS(=O)(=O)NOc1ccc(OCCF)cc1CNCCc1cccs1,[*]CCOc1ccc(O[*])c([*])c1,0.056996852
32044,CSSc1cc(OCCN2CCC(F)(C=O)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.44900936
32045,CSc1ccc(C2CCN(Oc3ccc(OCCS(N)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.23730627
32046,Cc1cc(OCCCS(=O)(=O)c2cccc(C(C)C)c2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07612551
32047,Cc1cc(OCCN=S(C)(=O)O)ccc1OCNC(=O)c1ccc(-c2ccccc2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.025005136
32048,Cc1cc(OCCNC(=O)c2ccc(F)cc2)ccc1OOC1CCCNC1,[*]CCOc1ccc(O[*])c([*])c1,0.06406805
32049,Cc1cc2c(cc1O)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62848586
32050,Cc1cccc(CN2CCN(CCCCN3c4ccccc4CCS3(=O)=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7925404
32051,Cc1cccc(CN2CCN(CCCc3cc(-c4ccccc4)no3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6352329
32052,O=C(NCCCCN1CCN(Cc2cccc(Cl)c2)CC1)C1Cc2ccccc2C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6836407
32053,O=C(c1ccc2[nH]ccc2c1)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46546918
32054,O=C1CCCCN1CCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48864105
32055,O=C1c2ccccc2S(=O)(=O)N1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6390673
32056,O=S(=O)(Oc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1)C(F)(F)F,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61920214
32057,O=c1ccccn1CCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7335821
32058,O=c1oc2ccccc2cc1CCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6823422
32059,CC(=O)NCCCN1CCN(Cc2cccc(Cc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3585869
32060,CCCNOc1ccc(OCCC)cc1C=O,[*]CCOc1ccc(O[*])c([*])c1,0.11926656
32061,CCCOc1ccc(OC(F)c2ccc(F)cc2)c(N=S(C)(=O)O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.051157795
32062,CCCOc1ccc(OCC(=O)Nc2ccc(F)c(C)c2)c(NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0058775367
32063,CCCOc1ccc(OF)c(CN2CCC(Oc3ccccc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5085367
32064,CCCOc1ccc(OOC)c(N2CCC(Nc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3458493
32065,CCCOc1ccc(OSC)c(CCCc2ccc3ccccc3c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0941946
32066,CCCc1ccc(Cc2cc(OCCN=S(C)(=O)O)ccc2OC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.05810073
32067,CCCc1ccc(Cc2cc(OCCS(C)(=O)=O)ccc2OC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.09218029
32068,CCNCc1cc(OCCNS(=O)(=O)c2ccccc2C(C)C)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.10332257
32069,CCOC(=O)NOc1ccc(OCCCOc2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.042589024
32070,CCc1ccc(COOc2ccc(OCCN=S(C)(=O)O)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.0594344
32071,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3cc4ccc(O)cc4s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64787513
32072,COCCCN1CCN(Cc2cccc(-c3cc4cc(O)ccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49973315
32073,COCCCN1CCN(Cc2cccc(C3CCC(NC(C)=O)CC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51176673
32074,COOc1ccc(OCCc2ccc(F)cc2)cc1CCCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.21939424
32075,COc1cc2c(cc1O)C1Cc3cccc(C[N+](=O)[O-])c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.603643
32076,COc1cc2c(cc1OC)C1Cc3cccc(-c4cccc([N+](C)=O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6639286
32077,COc1ccc(C(=O)NCCN2CCN(c3ccco3)CC2)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.47985896
32078,COc1ccc(C2(O)CCC(Nc3cc(OCCF)ccc3ON=S(C)(=O)O)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.12873523
32079,COc1ccc(OCCF)cc1CN1CCN(c2ccccc2OC(C)C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8266339
32080,COc1ccc(OCCN2CCC(C(=O)c3ccc(S(C)(=O)=O)cc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.5064352
32081,COc1ccc(OCCN2CCC(Cc3cccs3)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5768123
32082,COc1ccc(OCCN2CCC(Oc3ccc4ccc(F)cc4c3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5287139
32083,COc1ccc(OCCN2CCN(c3ccc(CF)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.70875835
32084,COc1ccc(OCCNC(C)=O)cc1OC1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.081067294
32085,COc1ccc(OCCS(C)(=O)=O)cc1NCC1CCc2cc(OC)c(OC)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.34122926
32086,COc1cccc(CN2CCN(CCCC(N)c3ccc4ccccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6562799
32087,COc1cccc(CN2CCN(CCCc3ccc4occc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61906356
32088,COc1cccc(Cc2cc3c(cc2-c2ccccc2)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61231714
32089,COc1ccccc1C(=O)C1CCN(CCN2CCN(c3ccccc3OC(C)C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85816693
32090,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(C#N)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87893665
32091,CS(=O)(=O)c1ccc(-c2cccc(CN3CCN(CCCCl)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5284714
32092,CSOc1ccc(OCCN2CCN(Cc3ccc(C(C)=O)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.332534
32093,Cc1cc(OCCCCCCc2ccc3c(c2)NC(=O)CC3)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.20077738
32094,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCC4)C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.46933615
32095,Cc1cc(OCCN2CCN(Cc3cc4ccccc4s3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.36426988
32096,Cc1cc(OCCNC(=O)CCc2ccc(F)cc2)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.02181455
32097,Cc1cc(OCCOS(C)(=O)=O)ccc1ON1CCCC(Cc2ccc(OC3CCCNC3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2006004
32098,Cc1cc(OCCOS(C)(=O)=O)ccc1ON1CCCC(Cc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.24395652
32099,Cc1cc(OCCOS(C)(=O)=O)ccc1ONC(=O)CCc1ccc2c(c1)CC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.045701787
32100,Cc1ccccc1N1CCN(CCN2CCC(C(=O)OC(C)(C)C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64310503
32101,Clc1cccc(CN2CCN(CCCC3CCNc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7160491
32102,Clc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccccc4)ccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8776976
32103,FC(F)(F)Oc1cccc(CN2CCN(CCCCc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6476132
32104,O=C(Nc1ccccc1)Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32327858
32105,O=C(O)N(Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)c1cccc2ccccc12,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4872336
32106,O=c1ccc2ccccc2n1-c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7070835
32107,OCCN=Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6688792
32108,Oc1cc2c(cc1O)C1Cc3cccc(-c4cccc(C(F)(F)F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63576806
32109,Oc1ccc(C2CCN(CCN3CCN(c4ccccc4O)CC3)CC2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76127577
32110,CC(=O)c1ccc(CCOc2ccc(ON3CCN(C)CC3)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.15372315
32111,CC1(CCCN2CCN(Cc3cccc(F)c3)CC2)C(=O)Nc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56528664
32112,CCCOc1ccc(ON2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3742211
32113,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(c3cc(C)cc4cc(F)ccc34)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22321315
32114,CCCOc1ccc(OOC)c(CNc2ccccc2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09050661
32115,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)COc2ccc(C(F)(F)F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.007362458
32116,CCCOc1ccc(OS(C)(=O)=O)c(NCCCc2ccnc3ccccc23)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07048635
32117,CCCOc1ccc(OSC)c(C=Nc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11689082
32118,CCCc1cccc(-c2cc(OCCN=S(C)(=O)O)ccc2OC)n1,[*]CCOc1ccc(O[*])c([*])c1,0.06254807
32119,CCN(C(=O)CCCN1CCN(Cc2cccc(F)c2)CC1)C1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.45520458
32120,CCN(c1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1)C1CCc2ccc(O)cc2C1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71532553
32121,CN(C(=O)Cc1cccc(CN2CCN(CCCCl)CC2)c1)C1CCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63399005
32122,COC(=O)[N+](=O)c1cc2c(cc1OCc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39905074
32123,COC1CCN(CCN2CCN(c3ccccc3OCc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9240975
32124,COCCCN1CCN(Cc2cccc(C(=O)N3CCCCC3c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48701447
32125,COCCCN1CCN(Cc2cccc(Cc3cc4ccc3CCc3ccccc3NC(=O)C4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6038716
32126,COCCCN1CCN(Cc2cccc(NC(=O)c3cc(Cl)c4ccccc4c3OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.32365164
32127,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(COC5CCCNC5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5668234
32128,COc1cc2c(cc1O)C1Cc3cccc(NC(=O)Cc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.2943272
32129,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cc4ccccc4[nH]3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72102416
32130,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)NCc4cccc(C(F)(F)F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4579991
32131,COc1ccc(C)cc1-c1cc(C(=O)NCCN2CCN(C)CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.164167
32132,COc1ccc(OCCC(O)COc2ccc3c(c2)CC(=O)CC3)cc1NC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10059507
32133,COc1ccc(OCCC2CCCN(c3ccccc3OC)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.33367676
32134,COc1ccc(OCCN2CCC(NC(=O)c3ccccc3C)C2)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4584331
32135,COc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1N1CCNC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.08178335
32136,COc1ccc(OCCNC(=O)c2ccccc2)cc1N1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.35877666
32137,COc1ccc(OCCOS(C)(=O)=O)cc1CCOc1ccc(CCF)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.070928365
32138,COc1ccc(OCCS(C)(=O)=O)cc1NCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.083273664
32139,COc1cccc(CN2CCN(CCCCNC(=O)C3(c4ccccc4)CCCCC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4936058
32140,COc1cccc(CN2CCN(CCCCn3c(=O)ccc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6929251
32141,COc1cccc(Oc2cccc3c2CN2CCc4cc(C)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66966754
32142,COc1cccc2c1CN1CCc3cc(Cc4ccc(C#N)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72161514
32143,COc1cccc2c1CN1CCc3cc(NC(OC)c4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59422415
32144,COc1ccccc1-c1cc(C(=O)NCCN2CCN(C)CC2)ccc1NS(C)(=O)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26800779
32145,COc1ccccc1-c1cc(C(=O)NCCN2CCN(Cl)CC2)ccc1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3693457
32146,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(O)CC2)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27967882
32147,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(Cl)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81864095
32148,Cc1cc(OCCC(=O)Cc2ccc(F)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.038752373
32149,Cc1cc(OCCN2CCC(CCc3ccc(F)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.63155925
32150,Cc1cc(OCCN2CCC(Cc3cccccc4c(cc3)NC4=O)C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.40507928
32151,Cc1cc(OCCN2CCC(c3cccc(C(F)(F)F)c3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.58175397
32152,Cc1cc(OCCN2CCCC(Cc3ccc(F)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5958463
32153,Cc1cc(OCCNCc2ccccc2)ccc1OS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.2203237
32154,Cc1cccc(CN2CCN(CCCC3CC3c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56112564
32155,Clc1ccccc1N1CCN(CCN2CCC(c3cnc4ccccn34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7779814
32156,Fc1ccc(-c2cnc(C3CCN(CCN4CCN(c5ccccc5Cl)CC4)CC3)cn2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80039346
32157,O=C1Cc2ccccc2C1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7056662
32158,O=C1c2ccccc2C(=O)N1CCCN1CCN(Cc2cccc(O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6542004
32159,O=S(=O)(CCCN1CCN(Cc2cccc(F)c2)CC1)c1cc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6229557
32160,Oc1ccccc1N1CCN(CCN2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74884635
32161,CC1CCN(CCN2CCN(c3ccccc3-c3ncc(-c4ccccc4)[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6912005
32162,CCC=S(=O)(O)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6723121
32163,CCCOc1ccc(OC)c(OC2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26333198
32164,CCCOc1ccc(ONS(C)(=O)=O)c(CC2CCc3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37860292
32165,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3ccc4c(c3)CNC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38158044
32166,CCCOc1ccc(OS(C)(=O)=O)c(Nc2ccc(OCC(F)(F)F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04499892
32167,CCc1cccc2c1CN1CCc3cc(OCc4ccc(OC)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65757185
32168,CNC(=O)Nc1cccc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6073098
32169,CNc1cc(C(=O)N2CCC(CCOc3ccc(OC)c(OS(C)(=O)=O)c3)CC2)ccc1F,[*]CCOc1ccc(O[*])c([*])c1,0.07437216
32170,COC(=O)C1(c2cccc(CN3CCN(CCCCl)CC3)c2)Cc2ccccc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4933839
32171,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(-n4ccnc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7449415
32172,COCCOc1ccc(ON2CCN(c3ccccc3CCCF)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28063437
32173,COCCOc1ccc(ONCC2CCc3cc(OC)c(OC)cc3C2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31473136
32174,COOc1ccc(OCCF)cc1CN1CCCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.80026
32175,COc1cc2c(cc1O)C1Cc3cccc(C(=O)OC(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5761291
32176,COc1cc2c(cc1O)C1Cc3cccc(C=[N+](C)O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.81353295
32177,COc1cc2c(cc1O)CCN1Cc3c(CNCc4ccc(CO)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6369643
32178,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)NCc4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45332947
32179,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(Oc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6561485
32180,COc1ccc(CC(=O)Nc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.2917362
32181,COc1ccc(OC)c(C(=O)NCc2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6659727
32182,COc1ccc(OCCC(C)Cc2cccs2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07828103
32183,COc1ccc(OCCN2CCC(Cc3ccc(F)cc3)CC2)cc1S(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5165554
32184,COc1ccc(OCCN2CCC(Cc3ccc(OC4CCC(=O)NC4)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.60076714
32185,COc1ccc(OCCN2CCCC(c3ccccc3OC)C2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.6268942
32186,COc1ccc(OCCN2CCN(CC(C)C)C2=O)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.26195717
32187,COc1ccc(OCCN=CS(=O)(=O)O)cc1-c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.044270538
32188,COc1ccc(OCCNC(=O)Cc2cccc(C)c2)cc1N1CCN(C=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.17993337
32189,COc1ccc(OCCSC)cc1NC(=O)Cc1ccc(OC2CCNCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.049233258
32190,COc1ccc2c(c1)N(c1ccccc1N1CCN(CCN3CCC(OC)CC3)CC1)C(=O)CC2,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77025664
32191,COc1cccc(-c2ccc(O)c(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)c2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7702054
32192,COc1cccc(CN2CCN(CCCc3ccc4nc(O)ccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61551
32193,COc1cccc2c1CN1CCc3cc(-c4ccc(C#N)cc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7326525
32194,COc1cccc2c1CN1CCc3cc(C4CCN(OCc5ccccc5)CC4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6097999
32195,COc1ccccc1N1CCN(CCN2CCC(C=S(O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80881137
32196,COc1ccccc1N1CCN(CCN2CCC(NC(=O)N(C)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8402697
32197,COc1ccccc1NC(=O)Oc1ccc(OCCF)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.023676788
32198,COc1ccccc1NC1CCN(CCCOc2ccc(OS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6144038
32199,CSc1ccc(C2CCN(Oc3ccc(OCCNS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.24363516
32200,Cc1cc(OCCCCC2CCc3ccccc3C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.2827907
32201,Cc1cc(OCCN2CCN(CCc3cc4ccccc4s3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.5427462
32202,Cc1cc(OCCNCC2CC2c2ccccc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.14520238
32203,Cc1cc(OCCNS(C)(=O)=O)ccc1OCN1CCC(C(=O)O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24974133
32204,Cc1cc(OCCNS(C)(=O)=O)ccc1OS(=O)(=O)N(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.077329695
32205,FC(F)(F)Oc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5882538
32206,FC(F)(F)Oc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccccc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78166384
32207,O=C(Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)OCc1ccc(F)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43045923
32208,O=C1C=C(c2ccccc2)C(=O)N1c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6599085
32209,Oc1nc2cccc(-c3cccc(CN4CCN(CCCCl)CC4)c3)c2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60102785
32210,C=Cc1cccc2c1CN1CCc3cc(Cl)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68920445
32211,CC(=O)c1cccc(C(=O)NCCOc2ccc(OCN3CCCCC3)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.097430274
32212,CCCOc1ccc(OC)c(N2CCC(C(=O)c3ccc(SC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15232496
32213,CCCOc1ccc(OCCCc2ccccc2)c(C(=O)Nc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03753666
32214,CCCOc1ccc(OOC)c(N2CCC(c3ccccc3OCCF)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37847355
32215,CCCOc1ccc(OS(C)(=O)=O)c(CCCc2ccc3c(c2)NC(=O)CC3=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.114062235
32216,CCCOc1ccc(OS(C)(=O)=O)c(CCN2CCC(Oc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6877849
32217,CCCc1ccccc1OCOc1ccc(OCCOC)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.17365266
32218,CCOCc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7784293
32219,CCOc1ccccc1N1CCN(Cc2cc(OCCCF)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.834058
32220,CNc1cccc(Cc2cc3c(cc2OC)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60172856
32221,COC(=O)NCc1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44642052
32222,COC1CCN(CCN2CCN(c3ccccc3-c3nc(-c4ccccc4)cnc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7249186
32223,COC1CCN(CCN2CCN(c3ccccc3COc3ccc4nccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72659075
32224,COC1CCN(CCN2CCN(c3ccccc3NC(=O)C=Cc3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.41448182
32225,COC1CCN(CCN2CCN(c3ccccc3Oc3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.86113924
32226,COCCCN1CCN(Cc2cccc(-c3ccc4ccccc4c3O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.590351
32227,COCCCN1CCN(Cc2cccc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.33669788
32228,CON1CCN(CCNC(=O)c2ccc(C)c(C(=O)c3ccccc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.34826323
32229,COc1ccc(C(=O)NCCN2CCN(O)CC2)cc1-c1ccccc1CF,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.34435317
32230,COc1ccc(OCCC(C)Cc2ccc3c(c2)CC(=O)NC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.20539096
32231,COc1ccc(OCCCCSc2ccc(F)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.08239941
32232,COc1ccc(OCCN2CCC(c3ccccc3)CC2)cc1[SH]=O,[*]CCOc1ccc(O[*])c([*])c1,0.702662
32233,COc1ccc(OCCN2CCCC(C)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.35235143
32234,COc1ccc(OCCN2CCN(Cc3ccc(CCF)o3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3846028
32235,COc1ccc(OCCNS(=O)(=O)c2cc(C(C)C)ccc2F)cc1OCC1CCCCN1,[*]CCOc1ccc(O[*])c([*])c1,0.13080586
32236,COc1ccc(OCCS(C)(=O)=O)cc1OC(C)COc1ccc2c(c1)NCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.26260412
32237,COc1ccc(OCCS(N)(=O)=O)cc1NCCc1ccccc1OC1CCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.17578295
32238,COc1ccc2cc(C(=O)Nc3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)ccc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.43819544
32239,COc1ccc2cccc(COc3cccc4c3CN3CCc5cc(O)c(O)cc5C3C4)c2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7145152
32240,COc1cccc(CN2CCN(CCCCc3ncc(-c4ccccc4)s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5291264
32241,COc1cccc2c1CN1CCc3cc(OC(=O)Nc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3745769
32242,COc1ccccc1N1CCN(CCN2CCC(C(=O)Nc3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6823967
32243,COc1ccccc1N1CCN(CCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8261155
32244,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cccc(-c4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.88687754
32245,COc1ccccc1N1CCN(CCN2CCC(Oc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81327266
32246,COc1ccccc1N1CCN(CCN2CCC(c3cccc(O)c3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82536966
32247,CSc1ccc(CC2CCCN(CCOc3ccc(OOS(C)(=O)=O)c(C)c3)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.35451576
32248,CSc1cccc(CN2CCN(CCCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.742073
32249,Cc1cc(OCCN2CCC(c3cccc(C(F)(F)F)c3)CC2)ccc1OOS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6352381
32250,Cc1cc(OCCN2CCCC(Cc3cccs3)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.36937803
32251,Cc1cc(OCCNC(=O)COc2ccc(C(F)(F)F)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.021285897
32252,Cc1cc(OCCNC(=O)COc2ccc3c(c2)NC(=O)C3)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.04771788
32253,Cc1csc(S(=O)(=O)NCCOc2ccc(ONS(C)(=O)=O)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07210822
32254,O=C(NCc1cccc(CN2CCN(CCCOCCF)CC2)c1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5072274
32255,O=C(O)Nc1cc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc(C(F)(F)F)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.2683365
32256,Oc1cccc2c1CN1CCc3cc(-c4cccc(Oc5ccccc5)c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.519106
32257,Oc1ncc(Br)cc1C1CCN(CCN2CCN(c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65032995
32258,c1cc(CN2CCN(CCCC3CCCCC3)CC2)cc(-c2cccs2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.677017
32259,CC(=O)Oc1ccc(OCCCN2CCN(c3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.68251586
32260,CC(=O)c1cccc(CN2CCN(CCCCc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6232357
32261,CC1Nc2cccc(CCCN3CCN(Cc4cccc(F)c4)CC3)c2NC1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5684143
32262,CCCOc1ccc(OSC)c(N2CCC(c3ccc(Cl)cn3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31728938
32263,CCCOc1ccccc1N1CCN(Oc2ccc(OCCOC)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3026822
32264,CCOc1ccc(F)cc1-c1cc(OCCN=S(C)(=O)O)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.045805614
32265,CCOc1ccccc1N1CCN(Cc2cc(OCCF)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8839797
32266,COC(=O)c1cc2c(cc1OC)CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4285554
32267,COC1CCN(CCN2CCN(c3ccccc3-n3cccc4cccc3-4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82737905
32268,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3cc4ccccc4s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7191021
32269,COCCCN1CCN(Cc2cccc(CNc3ccc4ccccc4n3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4639123
32270,COOc1ccc(OCCN2CCC(Oc3ccccc3C)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.50891864
32271,COc1cc2c(cc1-c1cc[nH]c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7428501
32272,COc1cc2c(cc1O)C1Cc3cccc(OC(=O)CCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48262107
32273,COc1cc2c(cc1O)C1Cc3cccc([SH](C)(C)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7043121
32274,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc([N+](=O)O)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61521786
32275,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCC3CCCCC3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.648201
32276,COc1ccc(C(=O)NCc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c(OC)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46919468
32277,COc1ccc(NCc2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50303894
32278,COc1ccc(OCCC(=O)COc2ccc(F)cc2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.03533298
32279,COc1ccc(OCCCN2CCCC(C)C2)cc1CF,[*]CCOc1ccc(O[*])c([*])c1,0.4455149
32280,COc1ccc(OCCCS(N)(=O)=O)cc1CC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.3560923
32281,COc1ccc(OCCCc2ccc(F)cc2)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7568487
32282,COc1ccc(OCCF)cc1CN1CCC(c2ccc(S(C)(=O)=O)c(NC=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4887217
32283,COc1ccc(OCCF)cc1CNC(=O)c1ccc2c(c1)CC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.10741126
32284,COc1ccc(OCCF)cc1N1CCC(Cc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4165671
32285,COc1ccc(OCCN2CCCN(c3ccc(Cl)cc3)CC2)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.7318473
32286,COc1ccc(OCCN2CCN(CCc3ccccc3)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.47443262
32287,COc1ccc(OCCN2CCN(c3ccc(F)cc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.87434626
32288,COc1ccc(OCCN=S(C)(=O)O)cc1-c1cc(OCC2CCCC2)cc2c1CCC(=O)N2,[*]CCOc1ccc(O[*])c([*])c1,0.112776816
32289,COc1ccc(OCCNC=O)cc1CN1CCC(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.55741376
32290,COc1ccc(OCCNS(=O)(=O)c2cc(F)ccc2F)cc1N1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.45931187
32291,COc1ccc(OCCOC(C)COc2ccccc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09566356
32292,COc1ccc(OCCS(=O)(=O)N(C)C)cc1N1CCC(Oc2ccc(CC3CCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27166554
32293,COc1ccc(OCCS(=O)(=O)c2cc(F)ccc2F)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.098975524
32294,COc1ccc(OCCS(C)(=O)=O)cc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28674415
32295,COc1ccccc1C1CCN(c2cc(OCCCN=S(C)(=O)O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22058676
32296,CSOc1ccc(OCCN2CCC(c3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.7086146
32297,CSOc1ccc(OCCN2CCCC(Cc3ccccc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.49732026
32298,CSc1ccccc1N1CCN(CCN2CCC(Cc3ccc4ccc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6863676
32299,Cc1cc(OCCN2CCN(C)CC2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.33274218
32300,Cc1cc(OCCNCc2ccc(F)cc2)ccc1ON(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.14103909
32301,Cc1cc(OCCOCCc2ccc3c(c2)NC(=O)CC3)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.20071714
32302,Cc1cc2c(cc1N)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7120049
32303,Cc1ccccc1N1CCN(CCN2CCC(N(C)C(=O)c3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.58953714
32304,ClC1CCN(CCN2CCN(c3ccccc3Oc3ccc(-c4ncc5ccccc5n4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79975903
32305,FCCCN1CCN(Cc2cccc(-c3ccc4cccnc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6639926
32306,Fc1cccc(CN2CCN(CCCCn3cccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63339764
32307,N=Cc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71773565
32308,O=C(NCc1cccc(CN2CCN(CCCCl)CC2)c1)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5100479
32309,O=C(c1cccc(CN2CCN(CCCCl)CC2)c1)N1C(=O)c2ccccc2S1(=O)=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5732339
32310,Oc1cc2ccccc2n1C1CCN(CCN2CCN(c3ccccc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71705645
32311,CC(=O)N1CCN(COc2ccc(OCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.09602923
32312,CCC1CCN(CCN2CCN(c3ccccc3-n3c(O)cc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6867574
32313,CCCOC1CCN(CCN2CCN(c3ccccc3-n3c(O)nc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6684267
32314,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(Oc3ccc(CC4CCCCC4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25213274
32315,CCCOc1ccc(OS(C)(=O)=O)c(CCN2CCC(Oc3ccc(C(C)=O)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4470157
32316,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(COc3ccc4c(c3)CC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.41339228
32317,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3cccc(F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3558743
32318,CCCOc1ccc(Oc2cc(C3CCN(Cc4ccc(F)cc4)CC3)no2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.50646096
32319,CCCc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.84342396
32320,CCN(Cc1ccccc1)C(=O)c1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5497721
32321,CCNCc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71724075
32322,CCOC(=O)N1CCC(c2ccccc2)CC1Oc1ccc(OCCOC)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.1127047
32323,CCOC(=O)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41452453
32324,CCOc1ccccc1OCCCOc1ccc(Oc2ccoc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09336241
32325,CCS(=O)(=O)Oc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76417756
32326,CCc1ccccc1N1CCN(CCN2CCC(c3cccc(C)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7230307
32327,COC1CCN(CCN2CCN(c3ccccc3Cc3ccc(O)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6473619
32328,CON1CCN(CCNC(=O)c2ccc(OS(C)(=O)=O)c(-c3ccccc3C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.28175998
32329,COOc1ccc(OCCF)cc1CN1CCC(C(=O)c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.52518
32330,COc1cc2c(cc1C)CCN1Cc3c(cccc3-c3cccc(CO)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5181139
32331,COc1cc2c(cc1NC(=O)Nc1ccccc1Cl)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.37454408
32332,COc1cc2c(cc1O)CCN1Cc3c(cccc3NC(=O)OCc3cccc(C)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.25439292
32333,COc1cc2c(cc1OC)C1Cc3cccc([N+](=O)c4ccc(C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6298293
32334,COc1ccc(COCc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.82448864
32335,COc1ccc(COc2cc3c(cc2C#N)CCN2Cc4c(cccc4OC)CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6472711
32336,COc1ccc(OCCC(C)Cc2ccc3c(c2)NC(=O)CC3)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.17907947
32337,COc1ccc(OCCCC2CC(=O)c3ccccc3C2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.24241342
32338,COc1ccc(OCCCF)cc1N1CCC(c2ccccc2OS(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27373132
32339,COc1ccc(OCCN(C)C(C)=O)cc1N1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2084637
32340,COc1ccc(OCCN2CCC(C(=O)c3cccs3)CC2)cc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.59289265
32341,COc1ccc(OCCN=S(C)(=O)O)cc1NC1CCc2ccc(CC(C)=O)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.25768322
32342,COc1ccc(OCCNC2CCC(c3ccccc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.24507876
32343,COc1cccc(COc2cc3c(cc2OC)C2Cc4cccc(C(F)(F)F)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65511084
32344,COc1cccc(Oc2cc3c(cc2O)CCN2Cc4c(C)cccc4CC32)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6517788
32345,COc1cccc2c1CN1CCc3cc(-c4ccc([N+](=O)C#N)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59810776
32346,COc1cccc2c1CN1CCc3cc(-c4cccc5[nH]c(C#N)cc45)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6650913
32347,COc1ccccc1-c1cc(C(=O)NCCN2CCN(C)CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3309688
32348,COc1ccccc1C1CCCN(COc2ccc(OCCF)cc2C)C1,[*]CCOc1ccc(O[*])c([*])c1,0.5028718
32349,COc1ccccc1CC1CCN(CCOc2ccc(ONS(C)(=O)=O)c(C)c2)C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.2784429
32350,COc1ccccc1NCCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.39224827
32351,Cc1cc(OCCCF)ccc1OCN1CCN(C=N[SH](C)(=O)O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.15454414
32352,Cc1ccc(OC2CCN(Oc3ccc(OCCCS(N)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.21210983
32353,ClCCCN1CCN(Cc2cccc(-c3cc(-c4cccs4)co3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5725629
32354,ClCCCN1CCN(Cc2cccc(-c3cccc(-c4ccsc4)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6760363
32355,Clc1ccccc1N1CCN(CCN2CCC(Nc3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81336737
32356,O=C(NCc1c(Cl)cccc1Cl)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43246636
32357,O=C(c1ccc2ccccc2n1)c1ccccc1N1CCN(CCN2CCC(O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.61095893
32358,OCCCN1CCN(Cc2cccc(Cc3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7097311
32359,Oc1cc2c(cc1Nc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5045128
32360,Oc1cccc2c1CN1CCc3cc(-c4ccnc5cc[nH]c45)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5586799
32361,CCCOc1ccc(OC(C)=O)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.61171013
32362,CCCOc1ccc(OC2CCc3ccccc3N(CCC)C2)c(C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31766263
32363,CCCOc1ccc(OCn2cccc2CCC(F)(F)F)c(NC(=O)COCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.008354812
32364,CCCOc1ccc(OF)c(-c2ccc(NC(C)=O)c(OC)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03204037
32365,CCCOc1ccc(ONS(C)(=O)=O)c(NCC2CCc3ccc(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.45739505
32366,CCCOc1ccc(OOC)c(C(C)COc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11615282
32367,CCCOc1ccc(OS(N)(=O)=O)c(CCCc2ccc(C3CCNCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2127632
32368,CCCOc1ccc(OSC)c(N2CCC(c3ccc(OCC(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31653726
32369,CCCOc1ccc(OSC)c(N2CCCN(c3ccccc3OCCF)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36449072
32370,CCCOc1ccc(O[SH](C)(=O)O)c(N2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22900008
32371,CCCc1ccc(CNc2cc(OCCS(C)(=O)=O)ccc2OC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06490412
32372,CCOCCOc1ccc(OC(C)COc2ccccc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12953657
32373,CCOc1ccc(-c2cc(C(=O)NCCN3CCN(OC)CC3)ccc2OC)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.17605226
32374,CCOc1ccccc1N1CCN(CCCOc2ccc(OC)c(S(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.91132367
32375,CCc1ccc(Oc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73125106
32376,COC1CCN(CCN2CCN(c3ccccc3-c3cc(O)nc4ccc(F)cc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75833905
32377,COC1CCN(CCN2CCN(c3ccccc3C(=O)OCCF)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.63357306
32378,COCCOc1ccc(OCCCn2cc(C3CCCCC3)cc2O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18315439
32379,COOc1ccc(OCCN2CCC(NS(=O)(=O)c3ccccc3F)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6004056
32380,COOc1ccc(OCCNC(=O)COc2ccc(C)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.0141102765
32381,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(Cl)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71689165
32382,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccc5c(c4)CCCC5)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65969884
32383,COc1cc2c(cc1O)C1Cc3cccc([N+](=O)c4ccc(N(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6727935
32384,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(COC#N)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6695965
32385,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccc(Cl)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30066246
32386,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccccc1N(C)C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3787487
32387,COc1ccc(COc2ccccc2-c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5385064
32388,COc1ccc(OCCC=Cc2ccccc2)cc1CN(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.19899294
32389,COc1ccc(OCCN)cc1N1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.35833597
32390,COc1ccc(OCCN2CCC(C(=O)c3ccccc3OC)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.6176065
32391,COc1ccc(OCCN2CCC(Oc3ccc(CC4CCCCC4)cc3)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.49373612
32392,COc1ccc(OCCNC(=O)c2ccc(Cl)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.026506081
32393,COc1ccc(OCCNC(=O)c2ccc(SC)cc2)cc1OC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.019791013
32394,COc1ccc(OCCNCCc2ccco2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.14236283
32395,COc1ccc(OCCS(=N)(=O)O)cc1N1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2918658
32396,COc1cccc(CN2CCN(CCCc3cc4ccccc4cc3C)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61750203
32397,COc1cccc(Cc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72185117
32398,COc1cccc2c1CN1CCc3cc(Cc4ccc5ncccc5c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6428815
32399,COc1ccccc1N1CCN(CCN2CCC(Oc3ccc4nc(O)oc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78892654
32400,COc1ccccc1N1CCN(CCN2CCC(c3cccc(F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8956082
32401,CSc1ccc(C(=O)C2CCN(CCOc3ccc(OOS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.5100851
32402,Cc1cc(OCCC(=O)COc2ccc3c(c2)NC(=O)CC3)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.13362741
32403,Cc1cc(OCCNC(=O)COc2ccccc2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.015206192
32404,Cc1cc(OCCNCc2ccc(S(C)(=O)=O)cc2)ccc1ON1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.08324036
32405,Cc1cc(OCCNCc2ccccc2)ccc1OCS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.29575485
32406,O=C(NC1CCN(CCN2CCN(c3ccccc3CO)CC2)CC1)c1cccs1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7959755
32407,O=C1CCc2ccc(C3CCN(CCN4CCN(c5ccccc5O)CC4)CC3)cc2N1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7625493
32408,O=C1Nc2ccccc2OC1c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.50140774
32409,OC(c1ccccc1N1CCN(CCN2CCC(c3ccc(F)cc3)CC2)CC1)C1CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7324521
32410,Oc1cccc2c1CN1CCc3cc(-c4ccc[nH]4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7417954
32411,CC(=O)CCOc1ccc(ONCCc2ccc(F)cc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.023677468
32412,CCCCN1CCN(Cc2cccc(Cn3c(O)cc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57076216
32413,CCCOc1ccc(OC)c(CN2CCC(NS(=O)(=O)c3ccc(Cl)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5556036
32414,CCCOc1ccc(OC)c(CS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07615896
32415,CCCOc1ccc(OCN2CCN(c3ccccc3OC)CC2)c(NS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.59003234
32416,CCCOc1ccc(ON2CCC(C(=O)O)=Cc3ccccc32)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12858851
32417,CCCOc1ccc(ON2CCN(c3ccc(F)cc3)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29660484
32418,CCCOc1ccc(ONS(C)(=O)=O)c(CCCc2ccc(C3CCC(=O)NC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19154419
32419,CCCOc1ccc(OOC)c(-c2cccc(S(C)(=O)=O)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.111791596
32420,CCCOc1ccc(OOC)c(N2CCN(c3ccccc3C(F)(F)F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36894536
32421,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCCC2Cc2ccc(OC3CCCCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22070031
32422,CCCc1ccc(OC)c(-c2cc(OCCS(=O)(=O)O)ccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.053232938
32423,CCN(Cc1cccc(CN2CCN(CCCCl)CC2)c1)C1CCc2c(O)cccc2C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69084615
32424,COCCCN1CCN(Cc2cccc(-c3cccc4c3NC(=O)CC4C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5056912
32425,COCCCN1CCN(Cc2cccc(CNC(=O)c3cc4ccccc4s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4179599
32426,COCCCN1CCN(Cc2cccc(CNC(=O)c3cccc(OC)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.39932594
32427,COCCCN1CCN(Cc2cccc(Cc3cc4ccccc4s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.52301425
32428,COCCCN1CCN(Cc2cccc(N3c4ccccc4CS3(=O)=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6471396
32429,COCCOc1ccc(OC)c(CCCc2cccc3c2CCC(=O)N3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17300497
32430,COOc1ccc(OCCC(=O)COc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.15458438
32431,COc1cc2c(cc1O)C1Cc3cccc(C(=O)c4cccc(C)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55353796
32432,COc1cc2c(cc1OC)C1Cc3cccc(OC(=O)c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4729833
32433,COc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1ccc(Cl)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27833933
32434,COc1ccc(Cc2cccc3c2CN2CCc4cc(O)c(OCc5ccccc5)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6338158
32435,COc1ccc(OCCCN2CCC(c3ccccc3C)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.70830446
32436,COc1ccc(OCCCS(=O)(=O)c2cc(C(F)(F)F)ccc2OC)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07521924
32437,COc1ccc(OCCF)cc1CN1CCC(c2cccc(NS(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.53040236
32438,COc1ccc(OCCN2CCCC(Oc3ccc(C4CCCCC4)cc3)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.44073063
32439,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1S(C)(=N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.03837217
32440,COc1ccc(OCCNS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.05064944
32441,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Cc2ccc3c(c2)CC(=O)NC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29948
32442,COc1ccc(OCCS(C)(=O)=O)cc1OC(C)Cc1ccc2c(c1)CCC(=O)C2,[*]CCOc1ccc(O[*])c([*])c1,0.16383696
32443,COc1ccc(OCCS(N)(=O)=O)cc1NCCc1ccc2c(c1)CCCC(=O)N2,[*]CCOc1ccc(O[*])c([*])c1,0.13567033
32444,COc1cccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2Cl)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3367211
32445,COc1cccc2c1CN1CCc3cc(CO)c(Cc4c[nH]c5ccccc45)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.562558
32446,Cc1cc(OCCN2CCC(Cc3ccc4ccccc4c3)NC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4708311
32447,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(c2ccc(CCCF)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18541321
32448,Cc1cc(OCCNC(=O)c2cccs2)ccc1ONCC1CCN(C)C1,[*]CCOc1ccc(O[*])c([*])c1,0.16290857
32449,Cc1cc(OCCO)ccc1OC(=O)N1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.0894251
32450,Cc1cc(OCCO)ccc1ONCC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.37455902
32451,Cc1cccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2C=O)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.28755927
32452,Cc1cccc(CN2CCN(CCCCNc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5042591
32453,Cc1ccccc1N1CCN(CCN2CCC(c3cn(-c4ccccc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6818365
32454,Cc1ccccc1N1CCN(CCN2CCC(c3cnc(O)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6366665
32455,Clc1ccc(-c2cc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)ncn2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7685784
32456,NOC(=O)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5731891
32457,O=S(=O)(c1ccc(F)cc1)C1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69686306
32458,O=S(c1cccc(CN2CCN(CCCCl)CC2)c1)c1cccs1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6700444
32459,Oc1ccccc1N1CCN(CCN2CCC(c3ccncc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7644241
32460,Oc1nc(F)cn1C1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82984275
32461,CC(=O)NCC1CCN(CCN2CCN(c3ccccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7142361
32462,CC1c2ccccc2C(=O)N1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5918665
32463,CCCOc1ccc(OCN2CCN(C(=O)c3ccc(F)cc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11337556
32464,CCCOc1ccc(OCN2CCN(c3cccc(Cl)c3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.53711265
32465,CCCOc1ccc(ON)c(NCCC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.031261235
32466,CCCOc1ccc(OS(C)(=O)=O)c(Cc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.113575555
32467,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Oc3cccc(F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3407487
32468,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(c3ccc(CCC)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24609491
32469,CCN1C(=O)CCc2ccc(OCCCCOc3ccc(ON)c(C)c3)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.2120821
32470,CCOc1ccccc1NC1CCN(Oc2ccc(OCCOC)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21363078
32471,CCc1cc(OCCc2ccc(OCCF)cc2)ccc1OOC,[*]CCOc1ccc(O[*])c([*])c1,0.070008434
32472,CN1CCN(Oc2ccc(OCCF)cc2CS(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29419568
32473,CNC(=O)c1cccc(C2CCN(CCOc3ccc(OC)c(NS(C)(=O)=O)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.53635126
32474,COC(=O)Oc1ccc(OCCN2CCN(c3ccccc3OCCF)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.57586104
32475,COC1CCN(CCN2CCN(c3ccccc3Cc3cnc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73968595
32476,COOc1ccc(OCCCN2CCC(S(=O)(=O)c3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.68233776
32477,COOc1ccc(OCCNc2ccccc2OCC(C)C)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.05240741
32478,COOc1ccc(OCCc2ccc(F)cc2)cc1CCN1CCN(c2ccccc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7763621
32479,COc1cc2c(cc1Cl)C1Cc3cccc(-c4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.656922
32480,COc1cc2c(cc1O)C1Cc3cccc(Cc4cc(C#N)c5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68885446
32481,COc1cc2c(cc1O)CCN1Cc3c(CCSc4ccc(C(F)(F)F)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6083692
32482,COc1cc2c(cc1O)CCN1Cc3c(cccc3C3COc4c(cccc4OC)C3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6537936
32483,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc(Cl)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7149628
32484,COc1ccc(OCCF)cc1N1CCN(S(=O)(=O)c2ccccc2C(C)C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.12632008
32485,COc1ccc(OCCN2CCC(Cc3ccc4ccccc4c3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.6478454
32486,COc1ccc(OCCN2CCC(c3ccccc3)CC2)cc1OC=O,[*]CCOc1ccc(O[*])c([*])c1,0.66354764
32487,COc1ccc(OCCN=S(C)(=O)O)cc1N1C(=O)CCc2cccc(CCC3CCCCC3)c21,[*]CCOc1ccc(O[*])c([*])c1,0.18409629
32488,COc1ccc(OCCNS(=O)(=O)c2cc(Cl)ccc2F)cc1N1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.1407379
32489,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Oc2ccc(CC3CCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27376342
32490,COc1ccc(OCCS(N)(=O)=O)cc1N1CCC(c2ccc(OCC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.26252508
32491,COc1ccc(OCCn2ccc(C(F)(F)F)c2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.11944947
32492,COc1cccc(CN2CCN(CCCc3cccc4cc(C(N)=O)sc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3571497
32493,COc1cccc(COCc2cccc3c2CN2CCc4cc(OC)c(COCc5ccccc5)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.648066
32494,COc1cccc(NC(=O)CCCN2CCN(Cc3cccc(F)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.2216434
32495,COc1ccccc1N1CCN(CCN2CCC(C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9433042
32496,COc1ccccc1NC1CCN(Oc2ccc(OCCCl)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.26469466
32497,CSOc1ccc(OCCN2CCC(C(=O)OCc3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.41536298
32498,Cc1cc(OCCC=CCc2ccccc2OC2CCNCC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16426556
32499,Cc1cc(OCCCCCc2ccc3c(c2)NC(=O)CC3)ccc1ON(C)C=O,[*]CCOc1ccc(O[*])c([*])c1,0.22126368
32500,Cc1cc(OCCN2CCC(Cc3ccc(F)cc3)CC2)ccc1OS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.49230453
32501,Cc1cc(OCCNS(C)(=O)=O)ccc1OC1CCN(Cc2ccc(S(C)(=O)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24130428
32502,Cc1ccc(OC2CCN(CCOc3ccc(OS(N)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.4299543
32503,Cc1cccc(CC(=O)NCCOc2ccc(ON=S(C)(=O)O)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.02256949
32504,Cc1ccccc1N1CCN(CCN2CCC(c3cc4ccccc4s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64777565
32505,ClC1CCN(CCN2CCN(c3ccccc3NCc3ccc(Br)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.48202115
32506,Fc1cccc(CN2CCN(CCCOc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.73657787
32507,O=C(Nc1ccc(O)cc1)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3578408
32508,Oc1cc2c(cc1-c1ccc(Cl)c(Cl)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7759639
32509,Oc1cc2c(cc1Cl)C1Cc3cccc(OCc4ccc5cc[nH]c5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6829235
32510,Oc1cc2c(cc1O)C1Cc3cccc(Cc4c[nH]c5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70978624
32511,CC(=O)Nc1ccc(Cl)c(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.31260863
32512,CCCOc1ccc(OC(N)=O)c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16649301
32513,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(CCc3ccc4c(c3)NC(=O)CCC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3190537
32514,CCOCOc1ccc(OCCCN2CCN(c3ccccc3OC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.8885821
32515,CCOc1cccc(OC)c1-c1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6183599
32516,CCc1ccccc1-c1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63228655
32517,CN1C(=O)C(CCCN2CCN(Cc3cccc(Cl)c3)CC2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66495633
32518,CNOc1ccc(OCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5478333
32519,COC1CCN(CCN2CCN(c3ccccc3Cc3cnc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7716266
32520,COCCCN1CCN(Cc2cccc(-c3ccc4c(c3)CC(=O)N4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5585523
32521,COCCCN1CCN(Cc2cccc(Cn3occ(-c4ccccc4)c3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4830588
32522,COCCCN1CCN(Cc2cccc(NC(=O)C3Cc4ccccc4C3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.41426843
32523,COCCOc1ccc(OCNCc2ccccc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13547234
32524,COOc1ccc(OCCCCOc2ccccc2C(N)=O)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.057782754
32525,COOc1ccc(OCCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.8614272
32526,COc1cc2c(cc1C=O)CCN1Cc3c(COc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65869844
32527,COc1cc2c(cc1NC(=O)Nc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3667133
32528,COc1cc2c(cc1O)C1Cc3cccc(C(=O)NCc4cccnc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5137393
32529,COc1cc2c(cc1O)C1Cc3cccc(CNCc4ccccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6199554
32530,COc1cc2c(cc1O)CCN1Cc3c(cccc3NC(=O)Oc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32961375
32531,COc1cc2c(cc1OC)C1Cc3cccc(C#Cc4ccccc4C#N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8020198
32532,COc1ccc(-c2cc(OCCN=S(C)(=O)O)ccc2OC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.039006263
32533,COc1ccc(N2CCN(CCNC(=O)c3ccc(OC)c(O)c3)CC2)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.6723358
32534,COc1ccc(OCCCCNC(=O)c2ccc(F)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.044840015
32535,COc1ccc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1OC=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.59862435
32536,COc1ccc(OCCN2CCC(C)Cc3cc(F)ccc32)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4062998
32537,COc1ccc(OCCN2CCC(Cc3ccc(F)cc3)C2)cc1NS(=O)(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.46172652
32538,COc1ccc(OCCN=S(C)(=O)O)cc1CN1CCN(c2ccccc2C(C)C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.58785206
32539,COc1ccc(OCCOS(C)(=O)=O)cc1Oc1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06235168
32540,COc1ccc(OCCS(C)(=O)=O)cc1NC(=O)Cc1ccc2c(c1)OC(C)CN2,[*]CCOc1ccc(O[*])c([*])c1,0.021000404
32541,COc1ccc(OCCS(N)(=O)=O)cc1CC1CCc2ccc(CC3CCC3)cc2C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.2562851
32542,COc1ccc(OCCS(N)(=O)=O)cc1NC(=O)Cc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.069105566
32543,COc1cccc(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84629405
32544,COc1cccc(CN2CCN(CCCOc3ccc(ON=S(C)(=O)O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.42469114
32545,COc1cccc(CN2CCN(CCCc3ccc4c(C(N)=O)cc5ccccc5c4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5369703
32546,COc1cccc2c1CN1CCc3cc(Oc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7204506
32547,COc1cccc2c1CN1CCc3cc([SH](C)(=O)O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62199354
32548,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc(-c4ccccc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8322974
32549,COc1ccccc1N1CCN(Oc2ccc(OCCCn3cc(F)cn3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31237623
32550,CSc1ccc(C(=O)NOc2ccc(OCCOC3CCCC3)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.09524839
32551,Cc1cc(OCCN2CCc3ccccc3CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.54654604
32552,Cc1cc(OCCNC(=O)Cc2ccccc2)ccc1OCN1CCN(S(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.03694543
32553,Cc1cc(OCCNC(=O)c2ccc3ccccc3c2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.031526517
32554,Cc1cc(OCCNCC2CCc3ccccc3C2)ccc1OOS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.25852087
32555,Cc1cc(OCCNCCc2cccc3c2CCC(=O)N3)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.11440338
32556,ClCCCN1CCN(Cc2cccc(-c3ccc(C4CCCC4)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7760941
32557,O=C(NCc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5316989
32558,O=S(=O)(c1cccc(CN2CCN(CCCCl)CC2)c1)c1cccs1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5630695
32559,Oc1ccc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7954905
32560,Oc1ccccc1-c1cccc(CN2CCN(CCCOc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63567245
32561,CC(=O)NC1CCN(CCOc2ccc(ONS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.53963876
32562,CC(=O)NCCOc1ccc(OCN(C)S(=O)(=O)c2ccc(C(C)C)cc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.019927505
32563,CC(=O)NOc1ccc(OCCNCC2CCc3ccccc3C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.1547473
32564,CC(=O)OC1CCN(CCN2CCN(c3ccccc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74836934
32565,CC(C)(C)Oc1ccccc1N1CCN(CCN2CCC(N(C(=O)NCc3ccccc3)C(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7492709
32566,CCCOc1ccc(OCCOc2ccccc2NC)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.080544025
32567,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCCC(Cc3ccc(OC)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20211916
32568,CCCOc1ccc(ONS(C)(=O)=O)c(NC(=O)COc2ccc3ccccc3c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.010612971
32569,CCCOc1ccc(OOC)c(NC(=O)c2ccccc2OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.024568358
32570,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCC(Oc3ccc(CC(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30189544
32571,CCOC(=O)Oc1ccc(OCCN2CCN(c3cccc(F)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.49981728
32572,CN(C)OCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66197556
32573,CNC(=O)Cc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43163806
32574,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccc(O)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.44035396
32575,COc1cc2c(cc1C)CCN1Cc3c(cccc3Oc3cccc4cc(CO)ccc34)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5811498
32576,COc1cc2c(cc1O)C1Cc3cccc(CO[O-])c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7520866
32577,COc1cc2c(cc1O)C1Cc3cccc(Cc4cccc(CO)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7404646
32578,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(CC#N)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6637907
32579,COc1cc2c(cc1OC)CC(CNCCOc1ccc(OC)c(OS(=O)(=O)C(F)(F)F)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.31010112
32580,COc1cc2c(cc1OS(C)(=O)=O)CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6163155
32581,COc1ccc(-c2cc3c(cc2OC)C2Cc4cccc(OCc5ccccc5)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.682589
32582,COc1ccc(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82499695
32583,COc1ccc(OCCC(C)Cc2ccccc2)cc1CN1CCC(S(=O)(=O)c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4795482
32584,COc1ccc(OCCF)cc1CN1CCN(CC(=O)Nc2ccc(SC)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.03907439
32585,COc1ccc(OCCN2CCCC(CCc3ccc4c(c3)CCC(=O)N4)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4199251
32586,COc1ccc(OCCN2CCN(c3ccccc3OC)CC2=O)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.24358718
32587,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(CCc2ccc3c(c2)NC(=O)CC3=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21254252
32588,COc1ccc(OCCNC(=O)CCc2ccc3c(c2)CC(=O)CC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.080212936
32589,COc1ccc(OCCS(N)(=O)=O)cc1C1CCC(CCc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.319396
32590,COc1ccc(OCCS(N)(=O)=O)cc1N1CCCCC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.18239814
32591,COc1cccc(CN2CCN(CCCC(=O)C3Nc4ccccc4C(=O)N3c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4828031
32592,COc1cccc2c1CN1CCc3cc(CNC(=O)Nc4c(Cl)cccc4Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43982193
32593,COc1cccc2c1CN1CCc3cc(Cc4ccc(C#N)cc4)c(C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5962299
32594,COc1cccc2oc(CCCN3CCN(Cc4cccc(Cl)c4)CC3)cc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5778177
32595,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77444434
32596,COc1ccccc1NCCCOc1ccc(OS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.096330084
32597,CSOc1ccc(OCCN2CCN(Cc3cccc(F)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.49518344
32598,CSOc1ccc(OCCNCc2ccc(C(C)=O)s2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.0420827
32599,Cc1cc(OCCN2CCC(CCc3ccc(F)cc3)CC2)ccc1OC(=O)NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.46353108
32600,Cc1cc(OCCNS(=O)(=O)c2cccc(Cl)c2)ccc1ON1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.14606114
32601,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(Cc2cccs2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2131487
32602,O=C(NC1CCN(CCN2CCN(c3ccccc3F)CC2)CC1)c1cccs1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6706505
32603,O=C(NCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)c1ccc(F)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47135726
32604,O=C1NCCN(c2ccccc2)C1C=Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44557157
32605,O=C1NCCc2c(OCCCN3CCN(Cc4cccc(Cl)c4)CC3)cccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59987867
32606,O=Cc1cccc2c1CN1CCc3cc(Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.671608
32607,O=Cc1ccn(CCCN2CCN(Cc3cccc(Cl)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61985505
32608,Oc1ccc(C2CCN(CCN3CCN(c4ccccc4F)CC3)CC2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68715787
32609,Oc1nc2ccccc2n1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6536213
32610,C=CCOc1cccc2c1CN1CCc3cc(OCc4ccccc4)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7938678
32611,CC(=O)C1CCN(CCN2CCN(c3ccccc3-n3c(O)cc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64954853
32612,CC(=O)NCCOc1ccc(ON2CCC(Oc3ccccc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.110470995
32613,CC(=O)c1ccc(OCC(=O)CCOc2ccc(ON)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.020320449
32614,CCCCc1ccc(CNCCOc2ccc(ON=S(C)(=O)O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.14017822
32615,CCCOc1ccc(OC)c(CNC(=O)c2cccc(N3CCNCC3)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14299275
32616,CCCOc1ccc(OC)c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27744022
32617,CCCOc1ccc(OCl)c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29357594
32618,CCCOc1ccc(OCl)c(NC(=O)COc2cccc(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0064325086
32619,CCCOc1ccc(OF)c(CN2CCN(c3cccc(OCC(F)(F)F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.68780994
32620,CCCOc1ccc(ONCCc2ccccc2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11470981
32621,CCCOc1ccc(OS(C)(=O)=O)c(CC(=O)Cc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21014832
32622,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3ccc(F)cc3)C(CF)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28354815
32623,CCCOc1ccc(OS(C)(=O)=O)c(NCCCC2CCC3=CCCC(=O)NC2C3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24261694
32624,CCOc1ccccc1NCOc1ccc(OCCOC)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.08266234
32625,CN(C)Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73364526
32626,COC1CCN(CCN2CCN(c3ccccc3-c3cccnn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8103583
32627,COC1CCN(CCN2CCN(c3ccccc3-c3ccncc3-c3ccc(O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7197428
32628,COC1CCN(CCN2CCN(c3ccccc3N3C(=O)COc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67354107
32629,COC1CCN(CCN2CCN(c3ccccc3OC(=O)C3Cc4ccccc4C3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73860973
32630,COCCCN1CCN(Cc2cccc(C3CS(=O)(=O)c4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5084401
32631,COCc1cccc2c1CN1CCc3cc(OC)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74050504
32632,COc1cc2c(cc1O)C1Cc3cccc(C=CNOCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65804255
32633,COc1cc2c(cc1OC(O)c1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5733868
32634,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)Nc4cccc(F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.33732942
32635,COc1ccc(OCCF)cc1N1CCN(C(c2ccccc2)C2CCCCC2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3201981
32636,COc1ccc(OCCN=S(C)(=O)O)cc1NC(=O)CCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.0076388298
32637,COc1ccc(OCCO)cc1NCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.0832588
32638,COc1ccc(OCCS(C)(=O)=O)cc1-c1ccc(OC(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07429215
32639,COc1cccc(CCc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.82197195
32640,COc1cccc(NC(=O)Cc2cc(OCCNC=O)ccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.007433568
32641,COc1cccc2c1CN1CCc3cc(-c4cccc(CNC(C)=O)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45420918
32642,COc1cccc2c1CN1CCc3cc(C)c(OCc4ccc(CO)cc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.620803
32643,CSOc1ccc(OCCN2CCC(COc3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6404405
32644,CSOc1ccc(OCCNCc2cc3ccccc3s2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.14464405
32645,CSc1ccc(CCOc2ccc(ON3CCN(C)CC3)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.3442216
32646,Cc1cc(OCCN2CCC(O)(C=Cc3ccccc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3442639
32647,Cc1cc(OCCNCc2ccc(F)cc2)ccc1ON1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.15281804
32648,Cc1cc(OCCNS(=O)(=O)c2ccccc2)ccc1ON1CC(C)CN(C)C1,[*]CCOc1ccc(O[*])c([*])c1,0.18039997
32649,Cc1cc(OCCS(=O)(=O)Cc2ccc(F)cc2)ccc1ON1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.22826432
32650,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCC(Cc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.33733472
32651,ClCCCN1CCN(Cc2cccc(-c3cccc(C=Cc4ccccc4)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6034072
32652,ClCCCN1CCN(Cc2cccc(-c3cccc4c3OCO4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58629775
32653,FC(F)(F)CCCN1CCN(Cc2cccc(-c3cc4ccccc4[nH]3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60783327
32654,Fc1ccc(C2CCN(CCN3CCN(c4ccccc4OC(F)(F)F)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87303454
32655,O=C(NCC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)c1ccccc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8431766
32656,O=C(Nc1cccc(CN2CCN(CCCF)CC2)c1)C1Cc2ccccc2-c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.43738186
32657,O=C1SCc2ccccc2N1c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7258894
32658,O=C1c2cccc(-c3ccccc3)c2CCN1Cc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6532258
32659,OCCCN1CCN(Cc2cccc(-c3cnc(-c4ccccc4)o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54217005
32660,OCc1cccc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7153721
32661,Oc1cccc2c1CN1CCc3cc(OCc4ccccc4)c(F)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8013938
32662,C#CCN(CCCCN1CCN(Cc2cccc(OC)c2)CC1)C1Cc2ccccc2C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7410939
32663,CC(C)Oc1cccc(CN2CCN(CCCN3c4ccccc4CS3(=O)=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5524685
32664,CC(C)Oc1ccccc1N1CCN(CCN2CCC(Oc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8086265
32665,CCCNC(=O)c1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5860893
32666,CCCOc1ccc(OCl)c(CNc2ccccc2OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09808763
32667,CCCOc1ccc(ON)c(NS(=O)(=O)c2cccc(C(C)C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07774564
32668,CCCOc1ccc(ON=S(C)(=O)O)c(Cc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.059379905
32669,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(Oc3ccc(C(C)=O)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16969745
32670,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCCC(Cc3ccc(OC4CCCCC4)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18390454
32671,CCCOc1ccc(OOS(C)(=O)=O)c(NCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06915831
32672,CCCOc1ccc(OS(=O)(=O)NC)c(CCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09823137
32673,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC3CCc4ccc(c(c4)CC2)CCC3=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29014337
32674,CCCOc1ccc(OSC)c(CNC(=O)c2ccc(C)o2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.022475779
32675,CCCOc1ccc(Oc2ccc(CCC)o2)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7554607
32676,CCOC(=O)C1CCN(CCOc2ccc(OC)c(S(=O)(=O)c3ccc(F)cc3)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28853104
32677,CCOc1ccccc1N1CCN(Cc2cc(OCCC=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.76210046
32678,COC1CCN(CCN2CCN(c3ccccc3-c3cn(C)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78122133
32679,COC1CCN(CCN2CCN(c3ccccc3Cc3ccc4nc(S)[nH]c4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6591788
32680,COCCOc1ccc(OC)c(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.686539
32681,COCCOc1ccc(OCCN2CCN(c3ccccc3OCCF)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.7592976
32682,COOc1ccc(OCCNCc2ccccc2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.30745357
32683,COc1cc2c(cc1C(=O)OCc1ccc(C)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38429534
32684,COc1cc2c(cc1O)CCN1Cc3c(COc4cccc5ccccc45)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7588486
32685,COc1cc2c(cc1OC)C1Cc3cccc(Cc4cccc([N+](C)=O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63432366
32686,COc1cc2c(cc1OC)C1Cc3cccc(N(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8679174
32687,COc1ccc(OCCC(C)Cc2ccc3c(c2)NC(=O)CC3)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.27732864
32688,COc1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5833408
32689,COc1ccc(OCCN2CCC(Nc3ccccc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4312104
32690,COc1ccc(OCCN2CCCCC2)cc1S(=O)(=O)C(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.2840451
32691,COc1ccc(OCCN2CCN(Cc3ccccc3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4130915
32692,COc1ccc(OCCNC(=O)c2cccc(CCCF)c2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.042606954
32693,COc1ccc(OCCNCc2ccc(F)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.17090881
32694,COc1cccc(CN2CCN(CCCCC(=O)c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60783565
32695,COc1cccc2c1CN1CCc3cc(N)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.774114
32696,COc1cccc2cc(C(=O)Nc3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)nn12,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.38770875
32697,COc1ccccc1N1CCN(CCN2CCC(C(=O)NCc3ccc(O)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.817969
32698,COc1ccccc1N1CCN(CCN2CCC(c3cccs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84473467
32699,Cc1cc(OCCCNS(C)(=O)=O)ccc1ON1CCC(Oc2ccc(CC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21153186
32700,Cc1cc(OCCCS(C)(=O)=O)ccc1ONCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.09934329
32701,Cc1cc(OCCCS(N)(=O)=O)ccc1ON1CCC(Cc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.32425627
32702,Cc1cc(OCCNC(=O)CCc2ccccc2S(C)=O)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.023311745
32703,Cc1cc(OCCNS(C)(=O)=O)ccc1OCCN1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.66005224
32704,Cc1cc(OCCOS(C)(=N)=O)ccc1ON1CCC(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.26936665
32705,ClCCCN1CCN(Cc2cccc(C=Cc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6551659
32706,N#Cc1cc2c(cc1[N+](=O)[O-])C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5002047
32707,N#Cc1ccn(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79880166
32708,O=C(c1ccc(F)cc1)C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8267041
32709,O=[N+](F)c1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5653232
32710,Oc1nc(-c2ccccc2)cn1-c1ccccc1N1CCN(CCN2CCC(O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72868884
32711,CC(=O)Oc1cccc2c1CN1CCc3cc(O)c(C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47004437
32712,CCCOc1ccc(OC)c(NS(=O)(=O)c2ccccc2C(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07189651
32713,CCCOc1ccc(ON2CCCC(CCc3ccccc3)C2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36264566
32714,CCCOc1ccc(ON=S(C)(=O)O)c(CC2CCc3cccc(CC4CCC4)c3C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27938208
32715,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(Oc3ccc(C)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1386615
32716,CCCOc1ccc(ONC(C)=O)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.02617226
32717,CCCOc1ccc(ONS(C)(=O)=O)c(CN2CCC(c3ccc4ccccc4n3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.50064707
32718,CCCOc1ccc(OOC)c(CCNC(=O)c2ccccc2OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.029365804
32719,CCCc1ccc(C(=O)NCc2cc(OCCSC)ccc2OC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.024873931
32720,CCCc1cccc2c1CN1CCc3cc(OC)c(NC(=O)OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.33251038
32721,CCc1ccc(-c2cc3c(cc2OC)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70240015
32722,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3cc4ccccn4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6753766
32723,COC1CCN(CCN2CCN(c3ccccc3S(=O)(=O)c3cccc(F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7421942
32724,CONc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50249517
32725,COc1cc2c(cc1C)CCN1Cc3c(cccc3SC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7379457
32726,COc1cc2c(cc1Cc1ccc(C#N)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7424695
32727,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)OCc4ccc([N+](=O)[O-])cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3615727
32728,COc1ccc(Br)cc1OCc1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7503619
32729,COc1ccc(Cc2cc3c(cc2CO)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6297829
32730,COc1ccc(OCCC(C)=O)cc1CNC(=O)c1ccc(Cl)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.015468465
32731,COc1ccc(OCCCC2CCc3ccccc3C2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.30058226
32732,COc1ccc(OCCCCCc2ccc(F)cc2)cc1C(C=S(=O)(O)O)N=O,[*]CCOc1ccc(O[*])c([*])c1,0.10098339
32733,COc1ccc(OCCCN)cc1CN1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.59087324
32734,COc1ccc(OCCCS(=O)(=O)c2ccc(F)cc2)cc1NC1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3848483
32735,COc1ccc(OCCN2CCC(Cc3cc(F)cc4ccccc34)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6320025
32736,COc1ccc(OCCNC(=O)c2cccc(C(C)C)c2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.018466722
32737,COc1ccc(OCCNC(C)=O)cc1N1CCN(C(C)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.097795546
32738,COc1ccc(OCCS(C)(=O)=O)cc1-c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.103288844
32739,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(c2ccc(C)cn2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23226148
32740,COc1cccc(N2CCN(CCNC(=O)c3ccc(C)c(O)c3)CC2)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.6587319
32741,COc1cccc(NCc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58848625
32742,COc1cccc2c1CN1CCc3cc(OCc4ccc(C#N)cc4)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69124895
32743,COc1ccccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1C(C)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.38296804
32744,COc1ccccc1CCc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64544517
32745,COc1ccccc1N1CCN(CCN2CCC(Cc3cc(C)no3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7172185
32746,CSCCOc1ccc(ON2CCC(c3ccccc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38521546
32747,CSc1cccc(CN2CCN(CCCc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.76669186
32748,Cc1cc(OCCCCc2ccccc2)ccc1ON1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4102208
32749,Cc1cc(OCCF)ccc1ON=S(C)(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.051074848
32750,Cc1cc(OCCN2CCCC(CCc3cccc(N)c3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.39871934
32751,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCCC(Cc2ccc(OC3CCCC3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.185657
32752,Cc1ccc(-c2cc(C(=O)NCCN3CCN(F)CC3)ccc2F)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.21070437
32753,ClC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccccn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7436859
32754,ClC1CCN(CCN2CCN(c3ccccc3COc3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75222373
32755,O=C(Nc1ccccc1)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3557456
32756,O=C(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)C1CCCC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.45015588
32757,O=C1c2ccccc2-c2c(CCCN3CCN(Cc4cccc(Cl)c4)CC3)cccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61670506
32758,O=c1ccccn1CCCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70100224
32759,Oc1cc2c(cc1-c1cccc(F)c1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66396254
32760,Oc1cccc2c1CN1CCc3cc(-c4cccc(Cl)c4Cl)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68726987
32761,Oc1cccc2c1CN1CCc3cc(OC=CCc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.678061
32762,C=CC1CCc2ccc(OCC(=O)Nc3cc(OCCC)ccc3OS(C)(=O)=O)cc2N1,[*]CCOc1ccc(O[*])c([*])c1,0.14485236
32763,CC(=O)NCCCN1CCN(Cc2cccc(Cc3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.38203028
32764,CCCCn1cc(CCOc2ccc(OOC)c(CN3CCN(c4ccccc4OC)CC3)c2)nn1,[*]CCOc1ccc(O[*])c([*])c1,0.79112786
32765,CCCOc1ccc(ON)c(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0871566
32766,CCCOc1ccc(ON)c(N2CCN(c3cccc(C)c3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2794086
32767,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCCC(CCc3ccc4c(c3)NC(=O)CC4)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30839714
32768,CCCOc1ccc(OS(C)(=O)=O)c(NCCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08078719
32769,CCCc1ccccc1C1CCN(CCOc2ccc(OC)c(OC)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7429433
32770,CCON=Cc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6873306
32771,COC1CCN(CCN2CCN(c3ccccc3C(=O)Nc3cccc(C#N)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.63499445
32772,COCCCN1CCN(Cc2cccc(CC=NC(=O)c3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.592848
32773,COCCOc1ccc(OC)c(-n2cccc2CCCF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.152389
32774,COc1cc2c(cc1O)C1Cc3cccc(N4CCN(OCc5ccccc5)CC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6338412
32775,COc1cc2c(cc1OC(=O)Nc1ccc(C)cc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3048011
32776,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(COc5ccccc5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5880129
32777,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc(Br)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71306187
32778,COc1cc2c(cc1OC)C1Cc3cccc(OCc4cccs4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.807041
32779,COc1cc2c(cc1OCc1ccc3ccccc3c1)C1Cc3cccc(-c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59321713
32780,COc1ccc(C(=O)c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67352235
32781,COc1ccc(OCCC(F)Cc2ccccc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.102288604
32782,COc1ccc(OCCCF)cc1CN1CCCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7566366
32783,COc1ccc(OCCCN2CCN(C)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.44461414
32784,COc1ccc(OCCF)cc1CS(=O)(=O)c1ccccc1C(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.19611488
32785,COc1ccc(OCCN2CCC(Cc3ccccc3C)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.49117026
32786,COc1ccc(OCCN2CCC(Oc3ccc4c(c3)CCC(=O)N4)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5054662
32787,COc1ccc(OCCN2CCN(CCc3ccc(F)cc3)C2=O)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.30407676
32788,COc1ccc(OCCNC(C)=O)cc1N1CCC(c2ccc(C(C)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21210942
32789,COc1ccc(OCCNCc2ccccc2)cc1S(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.28942782
32790,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(Oc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.45152083
32791,COc1ccc(OCCS(C)(=O)=O)cc1C(O)COc1ccc2c(c1)NC(=O)CCC2,[*]CCOc1ccc(O[*])c([*])c1,0.19782443
32792,COc1ccc(OCCS(C)=O)cc1N1CCC(c2ccc(OCC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28719956
32793,COc1cccc(-c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6075043
32794,COc1cccc(CN2CCN(CCCCc3ncc(-c4ccccc4)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63049877
32795,COc1cccc(CN2CCN(CCCN3C(=O)c4ccccc4C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.632764
32796,COc1cccc(CN2CCN(CCCc3cccc4nc(O)oc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5743858
32797,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(O)CC2)cc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.36519557
32798,COc1ccccc1CCCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7041119
32799,COc1ccccc1N1CCN(CCN2CCC(C34C=C(O)C=CC3=CC(O)=N4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.63033044
32800,COc1ccccc1N1CCN(Cc2cc(OCCNC(C)=O)ccc2OF)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7122423
32801,COc1ccccc1NC(=O)C1CCN(CCN2CCN(c3ccccc3C(C)C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.427196
32802,Cc1cc(OCCNS(=O)(=O)c2ccccc2C(C)C)ccc1ON1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2853406
32803,Fc1cccc(CN2CCN(CCCCNc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5122046
32804,N#Cc1cccc(-c2cc3c(cc2F)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6688048
32805,O=C(Nc1ccccc1)c1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.32315126
32806,O=C1COc2ccccc2N1Cc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48008984
32807,O=C1Cc2ccccc2N1c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6950907
32808,O=C1Nc2ccccc2CCC1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68200713
32809,O=c1oc2ccccc2n1-c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70032835
32810,Oc1cc2c(cc1-c1cc(F)ccc1C(F)(F)F)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58020186
32811,Oc1cc2c(cc1-c1ccccc1)CCN1Cc3c(Br)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7416954
32812,CC(=O)c1ccc(CC2CCN(Cc3cc(OCCF)ccc3ONS(C)(=O)=O)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.3130189
32813,CCCOc1ccc(ON2CCC(c3ccc(F)cc3)CC2)c(OC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18799877
32814,CCCOc1ccc(ONC(=O)Cc2ccc3c(c2)CCC(=O)N3)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07697425
32815,CCCOc1ccc(OOC)c(N2CCC(Nc3cccc(C(F)(F)F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3196145
32816,CCCOc1ccc(OS(=O)(=O)O)c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17056434
32817,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Oc3ccc(CCC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27295738
32818,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(Cc3ccc(OC4CCC(=O)CC4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32479176
32819,CCCOc1ccc(OS(N)(=O)=O)c(NC(=O)COc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.082544304
32820,CCCc1cn(CCC)nc1-c1cc(OCCF)ccc1OOC,[*]CCOc1ccc(O[*])c([*])c1,0.1270461
32821,COC(=O)Cc1ccc2c(c1)CC(CNCCOc1ccc(OSC)c(C)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.17926356
32822,COC(=O)NCCOc1ccc(OC)c(N2CCC(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24691923
32823,COC(=O)c1ccccc1N1CCN(CCN2CCC(n3ccc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.62280184
32824,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(N)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77405447
32825,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6528103
32826,COC1CCN(CCN2CCN(c3ccccc3C3CCc4ccc(cc4)CC3NC(C)=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73254555
32827,COC1CCN(CCN2CCN(c3ccccc3NC(=O)C=Cc3ccc(C#N)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.38152033
32828,COCc1cc2c(cc1O)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.667596
32829,COOc1ccc(OCCF)cc1CCNc1ccccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.088769995
32830,COc1cc2c(cc1N)CCN1Cc3c(Cc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7424419
32831,COc1cc2c(cc1O)C1Cc3cccc(CCc4ccc(CO)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.84641236
32832,COc1cc2c(cc1O)C1Cc3cccc(Cc4c(O)ccc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7300798
32833,COc1cc2c(cc1OC)C1Cc3cccc(CC(=O)NCc4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.30064937
32834,COc1cc2c(cc1OC)C1Cc3cccc(COCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.83012587
32835,COc1ccc(OCCC(C)=O)cc1N1CCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22317918
32836,COc1ccc(OCCC2CC2Cc2ccccc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.14735883
32837,COc1ccc(OCCF)cc1CC(=O)N1CC(C)Cc2cc(F)ccc21,[*]CCOc1ccc(O[*])c([*])c1,0.19735388
32838,COc1ccc(OCCF)cc1CNC1CCCN(C(=O)c2ccc(S(C)(=O)=O)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.060944516
32839,COc1ccc(OCCNC2CCC(O)(c3ccc(Cl)cc3)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.19122116
32840,COc1ccc(OCCNS(=O)(=O)c2ccc(F)cc2)cc1CN1CCC(C)CS1,[*]CCOc1ccc(O[*])c([*])c1,0.22109327
32841,COc1ccc(OCCS(C)(=O)=O)cc1NCC1Cc2ccccc2CO1,[*]CCOc1ccc(O[*])c([*])c1,0.19421193
32842,COc1ccc(OCCS(C)(=O)=O)cc1OC1CCCCN1,[*]CCOc1ccc(O[*])c([*])c1,0.12936473
32843,COc1cccc(OC)c1-c1cc2c(cc1O)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70268285
32844,COc1cccc2c1CN1CCc3cc(-c4ccc([N+](=O)[O-])cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53845304
32845,COc1cccc2c1CN1CCc3cc(C=Nc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6652662
32846,COc1ccccc1N1CCN(COc2ccc(OCCC(F)Cc3cccnc3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6144277
32847,CSOc1ccc(OCCN2CCC(Cc3cccc(N=S(C)(=O)O)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5549464
32848,CSc1ccc(CS(=O)(=O)NOc2ccc(OCCBr)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.055352837
32849,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(c2ccccc2OC2CC2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23434755
32850,Cc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1nc(O)nc2ccccc12,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2770161
32851,Cc1cccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2Br)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2537082
32852,ClCCCN1CCN(Cc2cccc(C3CCCCC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7356164
32853,FC(F)(F)c1cccc(CN2CCN(CCCCOc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6773851
32854,O=C(NC1CCN(CCN2CCN(c3ccccc3F)CC2)CC1)c1ccccc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69156706
32855,O=C(c1ccccc1)C1CCN(CCN2CCN(c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.61420953
32856,O=C1c2ccccc2N(c2cccc(CN3CCN(CCCOC(F)(F)F)CC3)c2)S1(=O)=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5889195
32857,O=S(c1ccc(F)cc1)c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59080446
32858,Oc1cc2c(cc1-c1cc[nH]c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76602215
32859,CCCN1CCN(c2ccccc2OC)CC1Oc1ccc(OCCOC)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.38242888
32860,CCCOc1ccc(OC(=O)OCC)c(CN2CCc3ccc(F)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28316766
32861,CCCOc1ccc(OC(N)=O)c(N2CCN(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15205258
32862,CCCOc1ccc(OC)c(CN2CCC(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.61669296
32863,CCCOc1ccc(OC=[SH]O)c(NCCc2cccs2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.056767397
32864,CCCOc1ccc(OCN2CCC(c3ccccc3)CC2)c([N+](=O)[O-])c1,[*]CCOc1ccc(O[*])c([*])c1,0.35988247
32865,CCCOc1ccc(OF)c(CN2CCN(c3cccc(CCC)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6674331
32866,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24130572
32867,CCCOc1ccc(ONS(C)(=O)=O)c(NCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08077617
32868,CCCOc1ccc(OS(C)(=O)=O)c(N2CCc3cc(CC(C)C)ccc3CC2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26836678
32869,CCCc1cccc2c1CN1CCc3cc(C)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7506312
32870,CCOc1cc2c(cc1OC)CCN(CCCOc1ccc(OC)c(S(C)(=O)=O)c1)C2,[*]CCOc1ccc(O[*])c([*])c1,0.55943865
32871,CCOc1ccccc1C1CCN(c2cc(OCCN)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3777721
32872,CCc1cc2c(cc1OS(C)(=O)=O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6977913
32873,CN1c2ccccc2CC(c2cccc(CN3CCN(CCCCl)CC3)c2)CS1(=O)=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7595178
32874,CNOc1ccc(OCCN2CCC(c3cccc(C(=O)OC)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.48825192
32875,COC(=O)c1cccc2c1CN1CCc3cc(Cl)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4695999
32876,COC1CCN(CCN2CCN(c3ccccc3-c3cccc(-c4cccc(C#N)c4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79009664
32877,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccc4cccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5031705
32878,COc1c(C)cccc1-c1ccc(C(=O)NCCN2CCN(O)CC2)cc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.19521704
32879,COc1cc2c(cc1O)C1Cc3cccc(C(=O)NCc4cccc(OC(F)(F)F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49918574
32880,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(COc4ccccc4)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6148062
32881,COc1cc2c(cc1OC(C)=O)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5848084
32882,COc1cc2c(cc1OC)C1Cc3cccc(Cc4cccc(O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71841276
32883,COc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cn1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56080383
32884,COc1ccc(C(=O)NCCN2CCN(c3cccc(OC)c3OC)CC2)cc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.8008397
32885,COc1ccc(OCCC(C)=O)cc1N1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20367852
32886,COc1ccc(OCCCNc2ccccc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.073569596
32887,COc1ccc(OCCN2CCC(NS(=O)(=O)c3cccc(Cl)c3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.768525
32888,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23246625
32889,COc1ccc(OCCNC(=O)Cc2ccc3c(c2)SC=CC=C3)cc1NC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.01313169
32890,COc1ccc(OCCNCCc2ccc3c(c2)NC(=O)CC3)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.19698326
32891,COc1cccc(CCCCN2CCN(Cc3cccc(C(C)=O)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59827775
32892,COc1ccccc1N1CCN(CCN2CCC(c3nnc(-c4ccc(F)cc4)n3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8081614
32893,COc1ccccc1NC(=O)C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.43466693
32894,COc1ccccc1NC1CCN(Oc2ccc(OCCOS(C)(=O)=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19900395
32895,Cc1cc(OCCN2CCC(Cc3ccccc3)CC2)ccc1ON=S(=O)(O)O,[*]CCOc1ccc(O[*])c([*])c1,0.54614246
32896,Cc1cc(OCCN2CCC(Oc3ccc(C4CCCCC4)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5663137
32897,Cc1cc(OCCN2CCC(Oc3ccccc3C3CCCNC3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.52951777
32898,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.162692
32899,Cc1ccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2C)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.15199558
32900,Cc1ccccc1N1CCN(CCN2CCC(Nc3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.47712922
32901,O=C(NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)c1ccccn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81351817
32902,O=C(NCc1cccc(CN2CCN(CCCCl)CC2)c1)N1CCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48699304
32903,O=C(c1ccccc1)N(c1cccc(CN2CCN(CCCF)CC2)c1)C1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.568584
32904,O=C1c2ccccc2CCN1c1cccc(CN2CCN(CCCOC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7113401
32905,O=S(=O)(c1ccccc1F)C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7013799
32906,Oc1nc2cc(OC3CCN(CCN4CCN(c5ccccc5Cl)CC4)CC3)ccc2[nH]1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77740484
32907,CC(=O)c1ccccc1N1CCN(CCN2CCC(n3c(O)nc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.55882347
32908,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3ccc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7824008
32909,CCCOc1ccc(OC)c(NS(=O)(=O)c2ccc(C(C)C)cc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07569105
32910,CCCOc1ccc(OOC)c(N2CCCC=Cc3ccc(Cl)n3CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29207996
32911,CCCOc1ccc(OOS(C)(=O)=O)c(N2C(=O)CCc3ccc(CC4CCC4)cc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22757778
32912,CCCOc1ccc(OS(N)(=O)=O)c(NCCc2coc3ccccc23)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07402329
32913,CCOc1cc2c(cc1O)CCN1Cc3c(Cc4cccc(OC)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5691393
32914,CCOc1ccccc1NCCCOc1ccc(OC)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.076817214
32915,CCc1cc2c(cc1S(N)(=O)=O)CCN(Cc1cc(OCCNS(C)(=O)=O)ccc1OC)CC2C,[*]CCOc1ccc(O[*])c([*])c1,0.42860982
32916,CCc1ccc(OC2CCCN(c3cc(OCCN=S(C)(=O)O)ccc3OC)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.18863706
32917,COC1CCN(CCN2CCN(c3ccccc3-c3cc(Br)ccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.768918
32918,COC1CCN(CCN2CCN(c3ccccc3Oc3cc(O)nc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73657763
32919,COOc1ccc(OCCC(C)Cc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.22484525
32920,COOc1ccc(OCCF)cc1CC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.5152657
32921,COc1cc2c(cc1-c1ccccn1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6776226
32922,COc1cc2c(cc1O)C1Cc3cccc(C(=O)OCc4cccc(F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5212245
32923,COc1cc2c(cc1O)CCN1Cc3c(CSc4ccc(C#N)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66815776
32924,COc1cc2c(cc1O)CCN1Cc3c(cccc3OS(=O)(=O)C(F)(F)F)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7821328
32925,COc1ccc(CCCN2CCN(Cc3cccc(OC)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61857396
32926,COc1ccc(OCCC(N)=O)cc1Cc1cccc(NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.021610703
32927,COc1ccc(OCCC(N)=O)cc1N1CCC(c2noc3cc(F)ccc23)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23410948
32928,COc1ccc(OCCF)cc1CN1CCN(c2cccc(C(C)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4416171
32929,COc1ccc(OCCF)cc1N1CCN([SH](C)(=O)c2ccc(C(=O)NC(C)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.123252995
32930,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCCC1Cc1cccs1,[*]CCOc1ccc(O[*])c([*])c1,0.1352613
32931,COc1ccc(OCCNS(C)(=O)=O)cc1CC1CCc2ccc(OCC3CCC3)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.30231813
32932,COc1ccc(OCCS(C)(=O)=O)cc1NC(=O)Cc1ccc2c(c1)N(C)C(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.05687746
32933,COc1ccc2cn(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)c(O)c2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69518995
32934,COc1cccc(CN2CCN(CCCc3cc(C)ccc3C)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53983295
32935,COc1cccc(CNC(=O)c2cc3c(cc2Oc2ccccc2)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38502643
32936,COc1cccc(N2CCN(CCNC(=O)c3ccc(OC)c(OC)c3)CC2)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.6910574
32937,COc1cccc2c1CN1CCc3cc(-c4ccccc4)c(CO)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5481468
32938,COc1cccc2c1CN1CCc3cc(C)c(F)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7654421
32939,COc1cccc2c1CN1CCc3cc(CNC(C)=O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5065763
32940,COc1cccc2c1CN1CCc3cc(Oc4ccc(C(F)(F)F)cc4CO)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70531076
32941,COc1ccccc1N1CCN(CCN2CCC(NCc3cnc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8458174
32942,COc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78060365
32943,CS(=O)(O)=Nc1cc(F)cc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52567387
32944,CSOc1ccc(OCCN2CCC(CCc3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6322499
32945,Cc1cc(OCCNS(=O)(=O)Cc2ccc(OCC(F)(F)F)cc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.086693324
32946,Cc1cc(OCCNS(=O)(=O)c2cccc(Cl)c2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.046345785
32947,Cc1cc(OCCOS(C)(=O)=O)ccc1ONC(=O)Cc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.062817596
32948,Cc1ccc(=O)n(Cc2cccc(CN3CCN(CCCF)CC3)c2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5780177
32949,O=C(NCc1cccc(CN2CCN(CCCF)CC2)c1)C1CCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.549503
32950,Oc1[nH]c2ccccc2c1Cc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.611442
32951,Oc1cc2c(cc1C=CNOCc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5849673
32952,Oc1cccc2c1CN1CCc3cc(-c4cncs4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5723376
32953,Oc1cccc2c1CN1CCc3cc(Cc4ccccc4)c(-c4ccccn4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62891567
32954,CC(=O)c1ccc(CN2CCN(CCOc3ccc(ON=S(C)(=O)O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.29985353
32955,CC(=O)c1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53683627
32956,CCCCc1ccccc1N1CCN(CCOc2ccc(OSC)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.71037054
32957,CCCN=Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7077528
32958,CCCNC(=O)Nc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4292909
32959,CCCOc1ccc(OC(=O)c2ccccc2)c(NC2CCCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07973678
32960,CCCOc1ccc(OCN2CCN(C(=O)c3cccc(Cl)c3)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14286737
32961,CCCOc1ccc(ON=S(C)(=O)O)c(CCCc2ccc3c(c2)CC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20808107
32962,CCCOc1ccc(OOC)c(Nc2ccccc2OCC(F)(F)F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.094323315
32963,CCCOc1ccc(OS(C)(=O)=O)c(N2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28463623
32964,CCCOc1ccc(Oc2ccccc2OCCC)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1467129
32965,COC(=O)OCc1ccc(COc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.447859
32966,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4cccs4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7568622
32967,COCCc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7561325
32968,COOc1ccc(OCCN2CCC(NS(=O)(=O)c3cccc(C(C)=O)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.50577855
32969,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1nccc2ccccc12,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33675268
32970,COc1cc2c(cc1CC=O)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7222151
32971,COc1cc2c(cc1O)CCN1Cc3c(cccc3[N+](=O)Cc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6590766
32972,COc1cc2c(cc1OCc1ccc(COC(=O)O)cc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38856095
32973,COc1cc2c(cc1SC)C1Cc3cccc(F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7716586
32974,COc1ccc(F)cc1OCCCOc1ccc(OCN2CCN(C)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38344726
32975,COc1ccc(OCCCCCc2ccc3c(c2)NC(=O)CCC3)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.20077018
32976,COc1ccc(OCCCS(N)(=O)=O)cc1NCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.105418295
32977,COc1ccc(OCCF)cc1S(=O)(=O)Cc1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.11010276
32978,COc1ccc(OCCN2CCCCC2)cc1S(=O)(=O)C(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.24429055
32979,COc1ccc(OCCNC(=O)COc2ccc(CF)cc2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.0174521
32980,COc1ccc(OCCNCCCc2ccc(F)cc2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1860269
32981,COc1ccc(OCCS(C)(=O)=O)cc1CNCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.12343476
32982,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Cc2ccc3c(c2)NC(=O)CCC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3613172
32983,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Oc2ccc(C(C)C)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2564457
32984,COc1cccc(C2CCN(CCOc3ccc(OOS(C)(=N)=O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.66763604
32985,COc1cccc(CN2CCN(CCCC3CCc4c(cccc4OC)C3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7148964
32986,COc1cccc2c1CN1CCc3cc(C(=O)[N+](=O)[O-])c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42143756
32987,COc1ccccc1C1CCN(CCCOc2ccc(OS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6993073
32988,CSCCOc1ccc(ONCCc2ccccc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.086733334
32989,Cc1cc(OCCCN2CCC(C(=O)c3ccc(F)cc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6328502
32990,Cc1cc(OCCCN2CCC(CCc3ccc(F)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.68460506
32991,Cc1cc(OCCN=S(C)(=O)O)ccc1OC1CCN(Cc2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4076499
32992,Cc1cc(OCCN=S(C)(=O)O)ccc1OCCCc1ccc(C=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.075760044
32993,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(OC2CCCC2)=CC=C2C=CC(CC1)C2,[*]CCOc1ccc(O[*])c([*])c1,0.18365604
32994,ClC1CCN(CCN2CCN(c3ccccc3-n3cccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8246134
32995,FCCCN1CCN(Cc2cccc(N3CCCCC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63672566
32996,FCCOc1cccc(CN2CCN(CCCc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7538838
32997,O=C(CCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1)N1CCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54403
32998,O=C(NCc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1)c1cc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5099809
32999,O=C(NCc1ccccc1)NCc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51218957
33000,O=C1c2ccc(-c3cccc(CN4CCN(CCCCl)CC4)c3)cc2C(=O)N1c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64439046
33001,O=C=Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7078543
33002,O=c1ccc2cccc(-c3cccc(CN4CCN(CCCCl)CC4)c3)c2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6031025
33003,Oc1cc2c(cc1O)C1Cc3cccc(-c4cccc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6672466
33004,c1ccc(CCCN2CCN(Cc3cccc(-c4cc5ccccc5s4)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69943297
33005,CC(=O)c1cccc2c1CN1CCc3cc(OCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46143103
33006,CC=[SH](O)=Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58044773
33007,CCCOc1ccc(OCN2CCC(c3ccccc3OCC)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5206263
33008,CCCOc1ccc(OCl)c(NC(=O)c2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.101710506
33009,CCCOc1ccc(OF)c(CNCC(=O)N2CCN(C(C)=O)CC2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09333339
33010,CCCOc1ccc(ON=S(C)(=O)O)c(NCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06655897
33011,CCCOc1ccc(OOC)c(C(F)COc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12967032
33012,CCCc1cccc2c1CC(CCNCCOc1ccc(ONS(C)(=O)=O)c(C)c1)S2,[*]CCOc1ccc(O[*])c([*])c1,0.23336577
33013,CCN(CC1CCN(CCN2CCN(c3ccccc3C)CC2)CC1)C(=O)c1ccccc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5932498
33014,CCOc1cccc2c1CN1CCc3cc(O)c(OC(C)=O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53395987
33015,CCOc1ccccc1N1CCN(CCNC(=O)c2ccc(OC)c(OC)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.8215478
33016,COC(=O)Nc1cccc(CC2CCN(CCN3CCN(c4ccccc4OC(C)C)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.62886274
33017,COC(=O)c1cc(OCCCC(=O)c2ccc(F)cc2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.075624324
33018,COC1CCN(CCN2CCN(c3ccccc3COc3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7578282
33019,COC1CCN(CCN2CCN(c3ccccc3Cc3cc4ccc(CO)cc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5342579
33020,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccnc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.44186378
33021,COCCOc1ccc(OC)c(NCc2cccc3ccccc23)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10162448
33022,CON1CCN(CCNC(=O)c2ccc(S(C)(=O)=O)c(-c3ccccc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.39470077
33023,COOc1ccc(OCCN2CC=C(c3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.51210415
33024,COc1c(C(=O)c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)ccc2ccccc12,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71957046
33025,COc1cc2c(cc1O)C1Cc3cccc(CNCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6742562
33026,COc1cc2c(cc1OCc1cccc(C)c1)CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6442474
33027,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(COCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7689386
33028,COc1ccc(C#CCc2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80396754
33029,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1cccc(Cl)c1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30193815
33030,COc1ccc(CN(C)Cc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8057365
33031,COc1ccc(OCCCN2CCC(Cc3ccccc3)C2=O)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.37396884
33032,COc1ccc(OCCN2CCC(c3csc4ccccc34)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5854334
33033,COc1ccc(OCCNC(C)=O)cc1CN1CCC(C(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.421784
33034,COc1ccc(OCCNCCCc2ccco2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.18633695
33035,COc1ccc(OCCS(C)(=O)=O)cc1CCN1CCCC(Oc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.5610549
33036,COc1cccc(CN2CCN(CCCC3CCC(=O)Nc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5857302
33037,COc1cccc2c1CN1CCc3cc(F)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.773819
33038,COc1ccccc1N1CCN(CCN2CCC(n3cc(C)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79494905
33039,Cc1cc(OCCCS(C)(=O)=O)ccc1ON1CCC(Oc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28853157
33040,Cc1cc(OCCN2CCC(c3ccccc3F)CC2)ccc1OOS(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6156532
33041,Cc1cc(OCCNC(=O)Cc2ccc(F)cc2)ccc1OS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.013744458
33042,Cc1cc(OCCNS(C)(=O)=O)ccc1OC(O)Cc1ccc(C2CCCCN2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.11274596
33043,Cc1cccc2c1CN1CCc3cc(-c4cccc(C#N)c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53366196
33044,Cc1ccccc1OC1CCN(Oc2ccc(OCCNC(=O)c3ccc(F)cc3)cc2C)SC1,[*]CCOc1ccc(O[*])c([*])c1,0.086669475
33045,Clc1ccccc1N1CCN(CCN2CCC(n3cccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7941922
33046,FC(F)(F)CCCN1CCN(Cc2cccc(Cc3cccc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5485809
33047,FC(F)(F)OCCCN1CCN(Cc2cccc(CNCc3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6406817
33048,FC(F)(F)OCCCN1CCN(Cc2cccc(N3CCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6197116
33049,FC(F)(F)c1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccccc4)no3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7880154
33050,Oc1cc2c(cc1Oc1ccc3ccccc3c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.80428684
33051,Oc1ccc2nc(O)cc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)c2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69228023
33052,Oc1cccc2c1CN1CCc3cc(C#Cc4ccccc4)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6888063
33053,Oc1nc2ccccc2n1C1CCN(CCN2CCN(c3ccccc3OCC(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7457195
33054,CC1(C)Cc2ccccc2N1CCCN1CCN(Cc2cccc(OC(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5539585
33055,CC1CCN(CCN2CCN(c3ccccc3NC(=O)c3cn4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.33398008
33056,CC1CCN(CCN2CCN(c3ccccc3Oc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8393738
33057,CCCOc1ccc(ON)c(N2CCC(Oc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5470632
33058,CCCOc1ccc(ON=S(C)(=O)O)c(NC(=O)Cc2ccc(C3CCNCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.031598605
33059,CCCOc1ccc(OS(=O)(=O)S(C)(=O)=O)c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23327677
33060,CCCOc1ccc(OS(C)(=O)=O)c(CC(F)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11653936
33061,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)COc2ccccc2C2CCCCN2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08407498
33062,CCCOc1ccc(OS(N)(=O)=O)c(N2CCN(c3ccccc3OCC(F)(F)F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29220635
33063,CCOc1ccccc1C(=O)C1CCN(CCOc2ccc(OC)c(OC)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.61195403
33064,CCOc1ccccc1C(=O)NCc1cc(OCCN)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.033315185
33065,CCOc1ccccc1C1CCN(CCOc2ccc(OC)c(OS(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.718176
33066,CN(Cc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2)OCc1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70387644
33067,COCCCN1CCN(Cc2cccc(CC(=O)c3ccc(Cl)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5264892
33068,COCCCN1CCN(Cc2cccc(Cc3ccc4cccccc3-4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61529404
33069,COCCOc1ccc(OC)c(NC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.022599552
33070,COCCOc1ccc(ON2CCC(c3ccc(C=O)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26157257
33071,COCc1cc2c(cc1O)CCN1Cc3c(C#Cc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6216706
33072,COOc1ccc(OCCc2ccc(F)cc2)cc1CCN1CCCN(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8424263
33073,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccccc1SC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3417177
33074,COc1cc2c(cc1C#N)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76588994
33075,COc1ccc(-c2cc3c(cc2OC)C2Cc4cccc(Cc5cccc(C#N)c5)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57300025
33076,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1Cc1cccc([N+](=O)[O-])c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.19535008
33077,COc1ccc(OCCF)cc1CN1CCN(C(=O)c2cc3ccccc3o2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.16212647
33078,COc1ccc(OCCN2CCC(c3ccccc3OC)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.7742501
33079,COc1ccc(OCCNCCc2ccc3c(c2)NC(=O)CC3)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2050683
33080,COc1ccc(OCCNS(=O)(=O)c2cccs2)cc1N1CCCC(C(=O)O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.12605055
33081,COc1ccc(OCCS(=O)c2ccccc2C(C)C)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10146274
33082,COc1ccc(OCCSC)cc1N1CCCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29849383
33083,COc1ccc2cc(OCc3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)ccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5893134
33084,COc1cccc(CN2CCN(CCCCC3CCCCC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63724416
33085,COc1cccc(CN2CCN(CCCc3ccc(C=CC(=O)N(C)C)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49487275
33086,COc1cccc2c1CN1CCc3cc(Cc4cc(C#N)c5ccccc5c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6475244
33087,COc1ccccc1N1CCN(CCN2CCC(n3nc(-c4ccccc4Cl)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83490664
33088,COc1ccccc1NC1CCN(CCN2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.3964463
33089,CS(=O)(=O)Oc1ccc(OCCF)cc1CCN1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.73340744
33090,CSc1cccc2c1CN1CCc3cc(-c4cccs4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69274974
33091,Cc1cc(OCCF)ccc1OCNCC1CC=S(=O)(O)CCC1,[*]CCOc1ccc(O[*])c([*])c1,0.09582415
33092,Cc1cc(OCCN2CCC(CSc3ccc(F)cc3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.61379343
33093,Cc1cc(OCCN2CCC(NC(=O)c3ccccc3C)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5496353
33094,Cc1cc(OCCN2CCCC(c3ccccc3OC3CC3)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.53788614
33095,Cc1cc(OCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)ccc1OSO,[*]CCOc1ccc(O[*])c([*])c1,0.3740799
33096,Cc1cc2c(cc1O)CCN1Cc3c(Cc4ccc(N(C)C)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61550355
33097,Cc1ccc(C(=O)NCCN2CCN(O)CC2)cc1-c1cccc(C)c1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26888603
33098,Clc1cccc(CN2CCN(CCCCc3ccco3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7012541
33099,Fc1ccccc1N1CCN(CCN2CCC(Nc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75108844
33100,O=C(NCCN1CCN(Cl)CC1)c1ccc(O)c(Oc2ccccc2)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.41723794
33101,O=C1CCCCN1Cc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38725713
33102,CC(C)(C)c1ccccc1N1CCN(CCN2CCC(n3ccc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7094155
33103,CCCOc1ccc(OCNS(C)(=O)=O)c(N2CCN(c3cccc(F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28947258
33104,CCCOc1ccc(OCl)c(C(=O)COc2ccc(CCC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09218411
33105,CCCOc1ccc(OCl)c(NC(=O)Cc2cccc(S(C)(=O)=O)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.019581169
33106,CCCOc1ccc(ONS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05628753
33107,CCCOc1ccc(OOC)c(N2CCN(c3ccc(C(C)C)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29068747
33108,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3ccc4ccccc4n3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23758142
33109,CCCOc1ccc(OS(C)(=O)=O)c(NCCC2C(=O)CCc3ccccc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22784242
33110,CCCOc1ccc(OS(N)(=O)=O)c(NCCCC2CCC3=CC(=O)CCC2C3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25178277
33111,CCOCCCN1CCN(Cc2cccc(-c3ccc4occc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55035484
33112,CCc1cccc(OC)c1-c1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68241847
33113,COC(=O)C1CCN(CCN2CCN(c3ccccc3-c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7953564
33114,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)Nc3cccc(C#N)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6263531
33115,COC1CCN(CCN2CCN(c3ccccc3Nc3ncccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4678965
33116,COCCOc1ccc(OC)c(C(F)Cc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12908974
33117,COc1cc2c(cc1O)C1Cc3cccc(NC(=O)C4CC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40307495
33118,COc1cc2c(cc1O)C1Cc3cccc(OCCN)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8462394
33119,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(CF)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6876668
33120,COc1cc2c(cc1OC)C1Cc3cccc(NC(=O)Nc4ccccc4C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.2799956
33121,COc1cc2c(cc1OC)C1Cc3cccc(OCCc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73837173
33122,COc1cc2c(cc1OCc1cccc(Cl)c1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6137636
33123,COc1ccc(OCCF)cc1CNCC1CCc2ccc(S(C)(=O)=O)cc2CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28346044
33124,COc1ccc(OCCN2CCC(NC(=O)c3ccc(F)cc3)C2=O)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.24322923
33125,COc1ccc(OCCN=S(C)(=O)O)cc1CN1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.36377907
33126,COc1ccc(OCCNS(C)(=O)=O)cc1NS(=O)(=O)c1cc(C(C)C)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.046464633
33127,COc1ccc2ccc(OC3CCN(c4cc(OCCN(C)C)ccc4OC)CC3)cc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.35851058
33128,COc1cccc(CC2CCN(CCN3CCN(c4ccccc4C(C)C)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7295529
33129,COc1cccc(CN2CCN(CCCCOc3cccc4ccccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6235986
33130,COc1cccc2c1CN1CCc3cc(-c4cccc(O)n4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64842445
33131,COc1cccc2c1CN1CCc3cc(-c4cccc(OC(F)(F)F)c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5496559
33132,COc1cccc2c1CN1CCc3cc(Cc4ccc([N+](=O)C(C)=O)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45109186
33133,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(O)CC2)cc1OC(C)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31946707
33134,COc1ccccc1N1CCCN(Cc2cc(OCCF)ccc2OF)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.74372274
33135,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cccnc3-c3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8082379
33136,COc1ccccc1N1CCN(CCN2CCC(Oc3ccc4[nH]c(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8588047
33137,Cc1c(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)nc(-c2ccccc2)n1C,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.702904
33138,Cc1cc(OCCCCCCc2ccc(F)cc2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.08239947
33139,Cc1cc(OCCCCSc2ccc(CF)cc2)ccc1ON1CCNC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.14786525
33140,Cc1cc(OCCCOc2ccc(F)cc2)ccc1OCN1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.40827632
33141,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)NCC(C)C3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.117809586
33142,Cc1cc(OCCNS(=O)(=O)c2ccccc2C)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.112514436
33143,Cc1cc(OCCNS(C)(=O)=O)ccc1OSCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.13172251
33144,ClC1CCN(CCN2CCN(c3ccccc3Cc3cc4ccccn4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7455862
33145,Fc1ccccc1N1CCN(CCN2CCC(n3ccc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6555313
33146,O=C(N=CCN1CCCC1)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3234358
33147,O=C1CC2(CCCC2)CC(=O)N1c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65941405
33148,O=C1CCc2ccc(C(O)C3CCN(CCN4CCN(c5ccccc5C(F)(F)F)CC4)CC3)cc2N1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6862311
33149,CC(C)c1cccc2c1CN1CCc3cc(OCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7143538
33150,CC(C)c1ccccc1N1CCN(CCN2CCC(c3cccnn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7209854
33151,CCCOc1ccc(OCN2CCN(c3ccccc3OC)CC2)c(C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.74100107
33152,CCCOc1ccc(ON2CCN(c3ccccc3OCC)CC2)c(OCCF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.44923925
33153,CCCOc1ccc(ONC(C)=O)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.68353885
33154,CCCOc1ccc(OOS(C)(=O)=O)c(CCCc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2531781
33155,CCCOc1ccc(OSC)c(CNC(=O)c2ccc(N(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.042977683
33156,CCCOc1ccc(OSC)c(NC(=O)c2ccc(N3CCN(C)CC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16043487
33157,CCN1C(=O)CCc2ccc(CC(=O)NCCOc3ccc(OC)c(S(C)(=O)=O)c3)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.091584556
33158,CCOc1ccccc1N1CCN(c2cc(OCCNC(=O)OC)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24201418
33159,CNC(=O)c1cc(OCCNC(=O)COc2cccc(C)c2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.022889573
33160,CNCC(=O)CCOc1ccc(OC)c(NS(=O)(=O)c2ccc(C(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.037896406
33161,CNOc1ccc(OCCN2CCC(Oc3ccc(SC)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.40415648
33162,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65019053
33163,COc1cc2c(cc1Cc1ccc(OCc3ccccc3)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66358423
33164,COc1cc2c(cc1OC)C1Cc3cccc(N4CCCCC4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61748666
33165,COc1ccc(OCCN2CCC(NC(=O)c3ccc(C(C)C)cc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.4403629
33166,COc1ccc(OCCN2CCC(S(=O)(=O)c3ccccc3F)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.7050984
33167,COc1ccc(OCCN2CCN(C)CC2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.37255675
33168,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(Cc2sc3ccccc3c2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.16669531
33169,COc1cccc(CN2CCN(CCCc3cccc4nc(S)ccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5844409
33170,COc1cccc(CN2CCN(CCOc3ccc(OC)c(SC)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5357075
33171,COc1cccc(OC)c1-c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66067815
33172,COc1cccc2c1CN1CCc3cc(C(=O)Nc4ccc(F)cc4F)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36348245
33173,COc1cccc2c1CN1CCc3cc(C(C)=O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5125219
33174,COc1cccc2c1CN1CCc3cc(O)c(OCc4cccnc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6351018
33175,COc1cccc2c1CN1CCc3cc(OCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6895727
33176,COc1ccccc1-c1cc(C(=O)NCCN2CCN(N)CC2)ccc1Br,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.37864962
33177,COc1ccccc1N1CCN(CCN2CCC(c3ccc4ccc(F)cc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8132199
33178,COc1ccccc1N1CCN(CCN2CCC(c3ccno3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.90396595
33179,CSOc1ccc(OCCN2CCC(O)(c3ccc(SC)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.46691957
33180,CSc1ccc(C2(O)CCN(CCOc3ccc(OCCF)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.6291283
33181,Cc1cc(OCCC(C)Cc2ccccc2)ccc1ON1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.30729276
33182,Cc1cc(OCCCN=S(C)(=O)O)ccc1ONCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.081825934
33183,Cc1cc(OCCCOCCc2ccc3c(c2)NC(=O)CC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.22868839
33184,Cc1cc(OCCF)ccc1ONS(=O)(=O)c1cc(C(C)C)ccc1C=O,[*]CCOc1ccc(O[*])c([*])c1,0.044486064
33185,Cc1cc(OCCN2CCC(c3ccco3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5856084
33186,Cc1cc(OCCN2CCCC(CCc3ccccc3)C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.36897302
33187,Cc1cc(OCCNS(=O)(=O)c2cc(C(C)C)ccc2F)ccc1OCC1CCCC[N+]1([O-])S(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08518668
33188,Cc1ccccc1N1CCN(CCN2CCC(N=CCc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6684031
33189,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)OC(C)(C)C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6976394
33190,Cc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4cccnc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7069304
33191,FCCCN1CCN(Cc2cccc(C3=Nc4ccccc4CC3Nc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4007525
33192,Fc1cccc(CN2CCN(CCCc3coc(-c4ccccc4)n3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56593305
33193,Nc1cc2c(cc1Cl)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7517053
33194,O=C1CCc2ccc(OCCCCN3CCN(Cc4cccc(Cl)c4)CC3)cc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7722886
33195,O=C1CN(CCCN2CCN(Cc3cccc(Cl)c3)CC2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65338624
33196,Oc1cc2c(cc1-c1cnc3ccccc3c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62088025
33197,Oc1cccc(CN2CCN(CCCCc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.8151248
33198,Oc1cccc2c1CN1CCc3cc(Cc4cccs4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6768588
33199,C=CN1CCc2c(CCOc3ccc(OC)c(S(C)(=O)=O)c3)cc(OCC3CCCC3)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.35103494
33200,CC(=O)c1ccc(C(=O)C2CCN(COc3ccc(OCCNS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.27016586
33201,CCCOc1ccc(OC(=O)N2CCN(c3ccccc3OC)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0940764
33202,CCCOc1ccc(OCNOC)c(N2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3437868
33203,CCCOc1ccc(ON2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)c(OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4179977
33204,CCCOc1ccc(ONC(C)=O)c(NCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04021073
33205,CCCOc1ccc(OOC=S(C)(=O)O)c(N2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28100896
33206,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)Cc2ccc(OC3CCCCN3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.037079636
33207,CCCOc1ccc(OS(N)(=O)=O)c(CC(C)Cc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26181096
33208,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(Oc3ccc(F)cc3)CC2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28419635
33209,CCCOc1ccc(OSC)c(N2CCC(Nc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38359326
33210,CCNC(=O)Nc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39867315
33211,CCOC(=O)Nc1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3156141
33212,CCOc1ccccc1N1CCN(Cc2cc(OCCNC(C)=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6954607
33213,CN(Cc1ccccc1)Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6719684
33214,COC1CCN(CCN2CCN(c3ccccc3Cc3cc4cccnc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65486515
33215,COC1CCN(CCN2CCN(c3ccccc3S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5944504
33216,COCCCN1CCN(Cc2cccc(-c3cccc4ccc(O)nc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.512696
33217,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(CF)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6813101
33218,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3c(OC)cccc3Oc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63201666
33219,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(O)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7554401
33220,COc1cc2c(cc1O)CCN1Cc3c(cccc3OC(C)(C)C)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8132952
33221,COc1ccc(C2CCN(Oc3ccc(OCCF)cc3C)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.29462433
33222,COc1ccc(CC(=O)NCc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3511596
33223,COc1ccc(OCCN2CCN(c3cccc(C(C)=O)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6769455
33224,COc1ccc(OCCN2CCN(c3ccccc3C(C)C)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.7686278
33225,COc1ccc(OCCN=O)cc1CN1CCC(c2ccc(C)cn2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.482305
33226,COc1ccc(OCCS(C)(=O)=O)cc1CCOc1ccc(CF)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06580097
33227,COc1ccc(OCCS(N)(=O)=O)cc1N1CCC(Cc2ccc3c(c2)NC(=O)CCC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.34837854
33228,COc1cccc(C(C)=O)c1N1CCN(CCOc2ccc(ONS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.519332
33229,COc1cccc(CC(=O)Nc2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.27396262
33230,Cc1cc(OCCCN2CCC(Cc3ccc4c(c3)NC(=O)CCS4)CC2)ccc1O[SH]=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5424522
33231,Cc1cc(OCCCNCc2ccc(F)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.11838464
33232,Cc1cc(OCCN2CCC(Oc3ccc(Cl)cc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.48179257
33233,Cc1cc(OCCNC(=O)COc2ccc3c(c2)NC(=O)CC3)ccc1OOC(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.06513429
33234,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)OC(=O)CC3)ccc1ONC=O,[*]CCOc1ccc(O[*])c([*])c1,0.065732494
33235,Cc1cc(OCCNC(=O)c2ccc(OC3CCNCC3)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.04313398
33236,Cc1cc(OCCNS(C)(=O)=O)ccc1OCCCc1ccncc1,[*]CCOc1ccc(O[*])c([*])c1,0.11156685
33237,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCCC(c2ccc(OCC(F)(F)F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.18695882
33238,Cc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6619725
33239,Cc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7328299
33240,ClCCCN1CCN(Cc2cccc(-c3csc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6886763
33241,Clc1cccc(CN2CCN(CCCC3COc4ccccc4N3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65025645
33242,FCCCN1CCN(Cc2cccc(Cc3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7874811
33243,N#Cc1cc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)ccc1O,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65285176
33244,O=C(c1ccco1)C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71209055
33245,O=C1c2ccccc2-c2c1cccc2-c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.43566698
33246,Oc1cccc2c1CN1CCc3cc(OCCc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7414745
33247,CCCCN1CCN(Cc2cccc(Sc3ccc(F)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6249645
33248,CCCOc1ccc(ON=S(C)(=O)O)c(C2CCc3ccc(OCC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39293867
33249,CCCOc1ccc(ONS(C)(=O)=O)c(NCCC2CCc3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3539186
33250,CCCOc1ccc(OS(C)(=O)=O)c(C2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26315984
33251,CCN1C(=O)CCc2ccc(OCC(=O)CCOc3ccc(OC)c(S(N)(=O)=O)c3)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.16314407
33252,CCc1cc2c(cc1O)C1Cc3cccc(-c4ccc(OC)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6656395
33253,CN(C)c1cc2c(cc1O)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6838191
33254,CN1c2ccccc2C(c2cccc(CN3CCN(CCCCl)CC3)c2)CS1(=O)=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59954804
33255,CNCCOc1ccc(OCN2CCCN(c3ccccc3OC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5954893
33256,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4cccc(F)n4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8453106
33257,COC1CCN(CCN2CCN(c3ccccc3-n3cc(-c4cccc(O)c4)nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73166895
33258,CON1CCN(CCNC(=O)c2ccc(-c3cc4ccccc4[nH]3)c(O)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.414061
33259,COOc1ccc(OCCCOc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.1661555
33260,COc1cc(C(=O)NCCN2CCN(O)CC2)ccc1-c1ccccc1C#N,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.34434825
33261,COc1cc2c(cc1C)CCN1Cc3c(cccc3NC=CO)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47966293
33262,COc1cc2c(cc1CNC(=O)c1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41722172
33263,COc1cc2c(cc1O)C1Cc3cccc(-c4cc5cc(C#N)ccc5[nH]4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64157474
33264,COc1cc2c(cc1O)CCN1Cc3c(cccc3C3CCCCO3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6621575
33265,COc1cc2c(cc1OCc1ccc(C#N)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75246865
33266,COc1ccc(CC2CCN(CCOc3ccc(OO)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.5498873
33267,COc1ccc(OCCCNCc2ccc(F)cc2)cc1S(=O)(=O)N(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.15277587
33268,COc1ccc(OCCN2CC(c3ccc(F)cc3)C(=O)CC2C)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.23715061
33269,COc1ccc(OCCN2CCCC(NC(C)=O)C2)cc1NS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.20522398
33270,COc1ccc(OCCN2CCCN(c3cccc(Cl)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.78152007
33271,COc1ccc(OCCN=S(C)(=O)O)cc1C(=O)COc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.20749804
33272,COc1ccc(OCCN=S(C)(=O)O)cc1N1CC=C(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31639266
33273,COc1ccc(OCCNS(C)(=O)=O)cc1NC(=O)Cc1ccc2c(c1)CCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.057604108
33274,COc1cccc(CN2CCN(CCCNC(=O)C=Cc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.40020052
33275,COc1cccc(CN2CCN(CCCc3ccc(-c4ccccc4)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61225355
33276,COc1cccc(CNc2cc3c(cc2OC)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49074498
33277,COc1cccc2c1CN1CCc3cc(O)c(OCc4ccc(CO)cc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6427316
33278,COc1cccc2c1CN1CCc3cc(OCc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77472097
33279,COc1ccccc1N1CCN(CCc2cc(OCCF)ccc2ONS(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.85334575
33280,CS(=O)(=O)NOc1ccc(OCCF)cc1N1CCC(Cc2ccc(SC3CCCCC3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.16070092
33281,Cc1cc(OCCCNCc2ccccc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.16410865
33282,Cc1cc(OCCF)ccc1OC=CNCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.08142236
33283,Cc1cc(OCCF)ccc1OCCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.25373924
33284,Cc1cc(OCCF)ccc1ONS(=O)(=O)Cc1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.05038574
33285,Cc1cc(OCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3864236
33286,Cc1cc(OCCNC(=O)Cc2ccccc2)ccc1OOC1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.046108846
33287,Cc1cc(OCCNC(=O)c2ccc(F)cc2)ccc1ON1CCC(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.10213874
33288,Cc1cc(OCCNCCc2ccc(Cl)cc2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.15782125
33289,Cc1cc(OCCNOCc2ccccc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09654031
33290,Cc1cccc(CN2CCN(CCCSc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6076581
33291,Cc1ccccc1N1CCN(CCN2CCC(Nc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70173335
33292,ClCCCN1CCN(Cc2cccc(C3OC=Cc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6475332
33293,FCCCN1CCN(Cc2cccc(-c3nc4ccccc4s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68467385
33294,O=C(COc1ccccc1)c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45349076
33295,O=C(c1cccc(CN2CCN(CCCCl)CC2)c1)c1cccs1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5917328
33296,O=[N+]([O-])c1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccccc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.49032155
33297,Oc1cc2c(cc1OCc1cccc(Cl)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6300566
33298,CC(=O)NCCOc1ccc(ON2CCC(Oc3ccc(C(C)=O)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09175146
33299,CC(=O)c1ccccc1N1CCN(CCN2CCC(n3ccc(C)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6135501
33300,CCC(=O)NC1CCC(CCCN2CCN(Cc3cccc(OC)c3)CC2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3849753
33301,CCC(=O)NCc1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.33921015
33302,CCC(=O)c1ccc(-c2cc(OCCOC)ccc2OC)cn1,[*]CCOc1ccc(O[*])c([*])c1,0.041145504
33303,CCC(O)=Nc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7340222
33304,CCCOc1ccc(ON2CCC(COc3ccc4c(c3)NC(=O)CC4)CC2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38742375
33305,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(NC(C)c3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17807846
33306,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22550751
33307,CCCOc1ccc(OSC)c(N2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3282034
33308,CCOC(=O)c1ccccc1N1CCN(CCN2CCC(c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.55886805
33309,CCOCCOc1ccc(OC)c(-c2ccccc2OCCF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11611876
33310,CCOc1ccccc1N1CCN(CCN2CCC(Cc3ccc4cccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73635244
33311,CCOc1ccccc1NC(=O)Cc1cc(OCCc2ccc(F)cc2)ccc1OOC,[*]CCOc1ccc(O[*])c([*])c1,0.005582998
33312,CON1CCN(CCNC(=O)c2ccc(-c3ccccc3C)c([N+](=O)[O-])c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27860346
33313,COOc1ccc(OCCN2CCN(Cc3ccc(S(C)(=O)=O)cc3F)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.33032134
33314,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1cccc(OC)c1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.24543934
33315,COc1cc2c(cc1CO)C1Cc3cccc(C=Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.654506
33316,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc(N5CCN(C)CC5)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6770177
33317,COc1cc2c(cc1O)CCN1Cc3c(Cc4cccc5[nH]ccc45)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7834408
33318,COc1cc2c(cc1O)CCN1Cc3c(cccc3O[N+](=O)C(F)(F)F)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7360334
33319,COc1cc2c(cc1OC)C(CNOc1ccc(OCCF)cc1C)CCC2,[*]CCOc1ccc(O[*])c([*])c1,0.27455798
33320,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6426748
33321,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc([N+](=O)C(C)=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4625886
33322,COc1ccc(OCCC(C)=O)cc1CN1CCC(Oc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3644029
33323,COc1ccc(OCCCC(=O)c2ccc(F)cc2)cc1CNS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.075257115
33324,COc1ccc(OCCCCCc2ccc(F)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.09816642
33325,COc1ccc(OCCN2CCC(c3ccc(SC)c(F)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.622854
33326,COc1ccc(OCCNCCCc2ccc(F)cc2)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1504745
33327,COc1ccc(OCCS(=O)(=O)Cc2ccc(S(C)(=O)=O)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.031900793
33328,COc1ccc(OCCS(=O)(=O)O)cc1N1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.19260383
33329,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(c2ccc(F)cc2)CC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.26793897
33330,COc1cccc(CN2CCN(CCCc3ccc(F)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6902248
33331,COc1cccc(CN2CCN(CCCc3ccc4c(c3)NC(=O)CS4)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5487195
33332,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(O)CC2)cc1S(C)(=O)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33814287
33333,COc1ccccc1N1CCN(CCN2CCC(NC(=O)Nc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64692134
33334,CSOc1ccc(OCCN2CCCC(Cc3cccc4c3NC(=O)CC4)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.43685177
33335,Cc1cc(OCCCNS(C)(=O)=O)ccc1ON1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2710792
33336,Cc1cc(OCCN2CCC(Oc3ccc(C4CCCCC4)cc3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.55586046
33337,Cc1cc(OCCN2CCCC(NS(=O)(=O)c3cccc(C(F)(F)F)c3)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.44660738
33338,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(c2ccc(C=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.16014133
33339,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(c2ccc(CC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.15336151
33340,Cc1cc(OCCNS(C)(=O)=O)ccc1OC1CCCC(Cc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25188693
33341,Cc1cccc(-c2cc(C(=O)NCCN3CCN([N+](=O)[O-])CC3)ccc2C)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.20526117
33342,Clc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4cccnc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84559226
33343,N#Cc1ccc(COc2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7248635
33344,O=C(OCc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1ccc(F)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65861034
33345,O=C1CCc2ccccc2N1Cc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62929076
33346,O=Cc1cc2c(cc1Oc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67206794
33347,Oc1cc2c(cc1O)C1Cc3cccc(CNCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6490372
33348,CC(=O)Nc1ccccc1OC1CCN(CCN2CCN(c3ccccc3OC(C)C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.55065733
33349,CCCCN1CCN(Cc2cccc(Cc3ccc(O)o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4826418
33350,CCCOc1ccc(OC)c(C(=O)NCc2ccc(S(C)(=O)=O)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04069837
33351,CCCOc1ccc(OCN2CCN(c3cccc(C(C)C)c3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.52984524
33352,CCCOc1ccc(OCNS(C)(=O)=O)c(Cc2ccc(OCCF)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07344755
33353,CCCOc1ccc(OCOCC)c(CN2CCN(c3ccccc3OC)C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27507752
33354,CCCOc1ccc(OCS(N)(=O)=O)c(N2CCCC(CCc3ccc4c(c3)NC(=O)CC4)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27606094
33355,CCCOc1ccc(OS(C)(=O)=O)c(CNc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.067892365
33356,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3ccc(CC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24365945
33357,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(Cc3ccc(OC4CCCCC4=O)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13999239
33358,CCCOc1ccc(OSC)c(COc2ccccc2OCC(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12557413
33359,CNCCNC(=O)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4630678
33360,COC(=O)Nc1ccc(Cc2cc3c(cc2OC)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36804774
33361,COC(=O)c1ccn(CCCCN2CCN(Cc3cccc(OC)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48593107
33362,COC1CCN(CCN2CCN(c3ccccc3Cc3ccnc4ccc(O)cc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.631053
33363,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.48972684
33364,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3cccc4cccnc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4491527
33365,CON1CCN(CCNC(=O)c2ccc(SC)c(-c3ccccc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35954982
33366,COc1cc(-c2cc(C(=O)NCCN3CCN(OC)CC3)ccc2OC)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26896143
33367,COc1cc2c(cc1-c1ccc(O)c3ccccc13)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67566895
33368,COc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1ccccc1OCc1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30170143
33369,COc1ccc(C(=O)NCCN2CCN(O)CC2)cc1-c1ccc(Br)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.20801808
33370,COc1ccc(C2CCN(COc3ccc(OCCF)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.4745546
33371,COc1ccc(OCCCS(N)(=O)=O)cc1CCOc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.116222814
33372,COc1ccc(OCCN2CCC3(CC2)C(=O)CCc2ccc(CC(F)(F)F)cc23)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.42047426
33373,COc1ccc(OCCN2CCCS2(=O)=O)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2705459
33374,COc1ccc(OCCN2CCN(c3cccc(CC(F)(F)F)c3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.8667898
33375,COc1ccc(OCCS(=O)(=O)Cc2ccc(SC(C)C)cc2)cc1CN(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.052551612
33376,COc1ccc(OCCS(C)(=O)=O)cc1COCCc1ccc2c(c1)CC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.19448702
33377,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(c2ccc(OCCF)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2770266
33378,COc1ccc(OCCS(C)(=O)=O)cc1NCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.09292346
33379,COc1ccc(OCCc2ccccc2C(C)C)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10603855
33380,COc1cccc(C(=O)NC2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)c1OC,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.684587
33381,COc1cccc(CN2CCN(CCCN3c4ccccc4CC3CO)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7034661
33382,COc1cccc(CNCc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5692616
33383,COc1ccccc1N1CCN(CCN2CCC(C(=O)N(C)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81349444
33384,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3nccc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.834215
33385,COc1ccccc1N1CCN(CCN2CCC(c3cc(O)nc(-c4ccc(F)cc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7540187
33386,COc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccncn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.89751124
33387,CSc1ccccc1N1CCN(CCN2CCC(n3ccc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7470168
33388,Cc1cc(OCCN2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.46867105
33389,Cc1cc(OCCN2CCN(CCc3ccc(F)cc3)C2=O)ccc1ONS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.18750337
33390,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(Cc2ccc(OC3CNC(=O)C3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1683749
33391,Clc1ccc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8393033
33392,Clc1cccc(CN2CCN(CCCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.8180166
33393,Fc1cccc(CN2CCN(CCCc3ccccn3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63745326
33394,Fc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccccn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69282186
33395,N#Cc1ccc(CNC(=O)c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49876747
33396,O=C(Nc1ccccc1)C1CCN(CCN2CCN(c3ccccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.53057116
33397,Oc1ccc(F)c(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7372328
33398,Oc1cccc(CN2CCN(CCCCNc3nccc4ccccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7111853
33399,CC(=O)CCCN1CCN(Cc2cccc(N3C(=O)c4ccccc4C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53998053
33400,CC(C)(C)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7819138
33401,CC(C)c1ccc(S(=O)(=O)NOc2ccc(OCCF)cc2N2CCNCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.22261675
33402,CC1(C)CC(=O)c2c(cccc2-c2cccc(CN3CCN(CCCF)CC3)c2)O1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.438279
33403,CCCCN1CCN(Cc2cccc(Cc3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63904136
33404,CCCOc1ccc(-c2cc(OCCS(C)(=O)=O)ccc2OC)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.07907601
33405,CCCOc1ccc(OC(N)=O)c(CN2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4577928
33406,CCCOc1ccc(OCN2CCN(C=O)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29932982
33407,CCCOc1ccc(OF)c(COc2cccc(NC(=O)OC)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.02331584
33408,CCCOc1ccc(ON2CCC(C(=O)c3ccc(F)cc3)CC2)c(OC(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22821721
33409,CCCOc1ccc(ON=S(C)(=O)O)c(-c2ccc(C3CCCN(C)C3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25947344
33410,CCCOc1ccc(ONS(C)(=O)=O)c(OC(=O)CCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0685285
33411,CCCOc1ccc(OS(C)(=O)=O)c(-c2c(OCC3CCCCC3)ccc3c2NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25112724
33412,CCCOc1ccc(OS(C)(=O)=O)c(NC2CCCC2COCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.122856535
33413,CCCOc1ccc(OSC)c(CNC(=O)c2ccc(N3CCN(C)CC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21847717
33414,CCCc1cccc(C(=O)NCCOc2ccc(ON=S(C)(=O)O)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.024041826
33415,CCOc1ccccc1-c1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6542895
33416,COC1CCN(CCN2CCN(c3ccccc3-n3cc(F)ccc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7108876
33417,COCCOc1ccc(ONCCc2cccc3c2NC(=O)CC3)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.111638166
33418,COCc1ccccc1-c1ccc(C(=O)NCCN2CCN(OC)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3346085
33419,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc4cccc(OC)c4c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5884437
33420,COc1cc2c(cc1O)CCN1Cc3c(cccc3C3CCC3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.716199
33421,COc1cc2c(cc1OC)C1Cc3cccc(C(C)Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7594795
33422,COc1cc2c(cc1OC)C1Cc3cccc(C(O)=Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7413085
33423,COc1ccc(CC(C)C)cc1Nc1cc(OCCS(C)(=O)=O)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.067896836
33424,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCCC(Cc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.24048199
33425,COc1ccc(OCCS(C)(=O)=O)cc1C(O)COc1ccc2c(c1)CC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.16968344
33426,COc1cccc(Cc2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74933213
33427,CS(=O)(=O)Nc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51921237
33428,CSOc1ccc(OCCN2CCC(Oc3ccccc3C3CCCC3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6471227
33429,Cc1cc(OCCCN=S(C)(=O)O)ccc1ON1CCC(CCc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18867211
33430,Cc1cc(OCCN2CCC(Sc3ccc(F)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5828451
33431,Cc1cc(OCCN2CCN(C)CC2)ccc1OC(=O)NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.22024691
33432,Cc1cc(OCCNS(C)(=O)=O)ccc1ONC(=O)COc1ccc(C2CCCCN2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.037221603
33433,Cc1cc2c(cc1O)C1Cc3cccc(OCc4ccc(C(F)(F)F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58421415
33434,Cc1cccc2c1CN1CCc3cc(CNCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42277378
33435,Cc1ccccc1N1CCN(CCN2CCC(c3ccc(C#Cc4ccccc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69471306
33436,ClCCCN1CCN(Cc2cccc(-c3cccc4c3CCOC4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5959602
33437,Clc1ccccc1N1CCN(CCN2CCC(Nc3ncc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83243483
33438,FC1CCN(CCN2CCN(c3ccccc3Oc3ccc(C(F)(F)F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8097384
33439,FCCCN1CCN(Cc2cccc(-c3nc(-c4ccccc4)cs3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6529067
33440,O=C(NC1CCN(CCN2CCN(c3ccccc3OCCF)CC2)CC1)c1ccc(-c2ccccc2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8817521
33441,O=C(NCCCN1CCN(Cc2cccc(Cl)c2)CC1)c1cccs1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.38978478
33442,O=C(NCc1cccc(CN2CCN(CCCC3CCCCC3)CC2)c1)c1cccs1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5120922
33443,O=C(Nc1cccc(F)c1)NC1CCN(CCN2CCN(c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5945894
33444,O=C1Cc2ccccc2N1CCCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.76109314
33445,O=S1(=O)Cc2cccc(F)c2N1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62907267
33446,Oc1cc2c(cc1Br)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79664606
33447,Oc1cccc2c1CN1CCc3cc(C=NOCc4ccccc4)c(Br)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67334104
33448,Oc1cccc2c1CN1CCc3cc(C=NOc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71265334
33449,CC(=O)OCCOc1ccc(ONS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.022005126
33450,CC(C)Oc1ccccc1N1CCN(CCN2CCC(Cc3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7626299
33451,CC(C)c1ccc(OCC(=O)c2cc(OCCF)ccc2ONS(C)(=O)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.024919728
33452,CC(C)c1ccccc1N1CCN(CCN2CCC(COc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7101688
33453,CC=Cc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7371536
33454,CCCC1CCCN(CCOc2ccc(OS(C)(=O)=O)c(C)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.37746727
33455,CCCOc1ccc(OC)c(CN2CCN(C(=O)c3ccc(SC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08967
33456,CCCOc1ccc(OC)c(S(=O)(=O)NCc2ccc(C(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07997899
33457,CCCOc1ccc(OCCN2CCC(c3ccccc3OC)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.73576856
33458,CCCOc1ccc(ON)c(CF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11496556
33459,CCCOc1ccc(OOC)c(CN2CCN(c3ccc(C(C)C)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.63515544
33460,CCCOc1ccc(OS(=O)(=O)O)c(N2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2452717
33461,CCCOc1ccc(OS(N)(=O)=O)c(CCCc2noc3cc(F)ccc23)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11777358
33462,CCCOc1ccc(OSC)c(NCS(=O)(=O)Cc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0730623
33463,CCOc1ccccc1N1CCC(CCOc2ccc(OC)c(OC)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.40988097
33464,CCc1ccccc1N1CCN(CCN2CCC(C(O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71333075
33465,CNCCOc1ccc(OF)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7868525
33466,COC(=O)Nc1cccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2OC)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.17967859
33467,COC1CCN(CCN2CCN(c3ccccc3-c3ccnc(O)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72776824
33468,COC1CCN(CCN2CCN(c3ccccc3-c3ncco3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7945169
33469,COc1cc2c(cc1-c1ccncc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.766513
33470,COc1cc2c(cc1C(=O)Nc1ccccc1C)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.25748155
33471,COc1cc2c(cc1O)C1Cc3cccc(CCOc4ccc(C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6669127
33472,COc1cc2c(cc1O)CCN1Cc3c(CCN(C)Cc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77729577
33473,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(C)c3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7216813
33474,COc1ccc(-c2ccccc2N2CCN(CCN3CCC(OC(C)C)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80692333
33475,COc1ccc(OCCC=Cc2cccs2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.141131
33476,COc1ccc(OCCF)cc1N1CCC(Cc2ccc3c(c2)N(S(C)(=O)=O)C(C)(C)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.34032062
33477,COc1ccc(OCCN2CCCC(c3ccc(F)cc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.51463753
33478,COc1ccc(OCCNS(C)(=O)=O)cc1NS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.05859868
33479,COc1ccc(OCCS(N)(=O)=O)cc1N1CCCC(CCc2ccc3c(c2)NC(=O)CC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.3236652
33480,COc1cccc(CC2CCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.63073134
33481,COc1cccc2c1CN1CCc3cc(C(=O)NCc4cccc(C#N)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4369668
33482,COc1cccc2c1CN1CCc3cc(Cc4ccc[nH]4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6784564
33483,COc1ccccc1N1CCN(CCN2CCC(CNc3nccc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78365815
33484,CSOc1ccc(OCCNCc2ccccn2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.16604821
33485,CSc1ccccc1N1CCN(CCN2CCC(c3cn4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7557118
33486,Cc1cccc(C2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6830652
33487,Cc1cccc(CN2CCN(CCCN3C(=O)c4ccccc4S3(=O)=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6408027
33488,Clc1cccc(CN2CCN(CCCCc3cc(-c4ccccc4)cs3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7878749
33489,O=C(Nc1cccc(CN2CCN(CCCO)CC2)c1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.40572125
33490,O=C1Cc2cc(-c3cccc(CN4CCN(CCCCl)CC4)c3)ccc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6394233
33491,O=S(=O)(c1ccccc1)c1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48075598
33492,O=[N+](Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)c1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4638296
33493,O=[N+]([O-])CCCN1CCN(Cc2cccc(CNS(=O)(=O)c3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4393278
33494,Oc1cc2c(cc1OC=Nc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6665843
33495,Oc1ccc2ccc(OC3CCN(CCN4CCN(c5ccccc5C(F)(F)F)CC4)CC3)cc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72341585
33496,Oc1cccc(-c2cccc(CN3CCN(CCCCl)CC3)c2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65708715
33497,Oc1cccc2c1CN1CCc3cc(CON=Cc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65080166
33498,Oc1nc(-c2ccc(F)cc2)cn1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7226587
33499,CC(C)c1ccccc1N1CCN(CCN2CCC(n3cnc4ccccc4c3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71085215
33500,CC1=CCc2ccccc2N1C(=O)CCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64991003
33501,CC1Cc2ccccc2N1CCCCN1CCN(Cc2cccc(S(C)(=O)=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.71622276
33502,CCCCn1cc(CN2CCN(CCOc3ccc(OC)c(OC)c3)CC2)ccc1=O,[*]CCOc1ccc(O[*])c([*])c1,0.43274316
33503,CCCOc1ccc(OCCN2CCN(c3ccccc3OC)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8904571
33504,CCCOc1ccc(ON2CCCCC2c2ccccc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39337638
33505,CCCOc1ccc(ONc2ccc(CCC)cc2)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5777369
33506,CCCOc1ccc(OOC)c(N2CCC(Nc3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29533413
33507,CCCOc1ccc(OS(C)(=O)=O)c(CCCc2ccc(C(F)(F)F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.100580275
33508,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(CC3CCCN3)=CC=C3C=CC(CC2)O3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25765783
33509,CCCOc1ccc(OSC)c(N2CCCC(CCc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32543448
33510,CCCOc1ccc(OSC)c(N2CCCC(c3ccccc3OC)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3741352
33511,CCc1cc2c(cc1O)C1Cc3cccc(-c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6174156
33512,COCCCN1CCN(Cc2cccc(-c3cc(C)ccc3C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.47117582
33513,COCCCN1CCN(Cc2cccc(CC3CC(=O)Cc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6167754
33514,COCCCN1CCN(Cc2cccc(CN3C(=O)CSc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5406997
33515,COc1cc2c(cc1-c1cc(O)c3c(OC)cccc3c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6881883
33516,COc1cc2c(cc1-c1ccc(SC)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73448944
33517,COc1cc2c(cc1CCNOCc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6706077
33518,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc(OCF)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6908208
33519,COc1cc2c(cc1OC(C)(C)C)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8196784
33520,COc1cc2c(cc1OC)C1Cc3cccc(-c4cccc(OCc5ccccc5)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52125335
33521,COc1ccc(COc2cc3c(cc2OC)CCN2Cc4c(CO)cccc4CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7071039
33522,COc1ccc(OCCCCCc2ccccc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.13774064
33523,COc1ccc(OCCF)cc1NCC1CCN(S(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.15025865
33524,COc1ccc(OCCN2CCC(=O)C2c2ccccc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.38393074
33525,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCC(c2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.20801975
33526,COc1ccc(OCCNC2CC2Cc2ccccc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.17040136
33527,COc1ccc(OCCS(C)(=O)=O)cc1C(C)COc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06992181
33528,COc1ccc2ccc(OCc3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)cc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6832078
33529,COc1cccc(CN2CCN(CCCN3CC(C)(C)Cc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6671106
33530,COc1cccc(CN2CCN(CCCc3cc4ccccc4c(=O)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64460045
33531,COc1ccccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1CC(=O)O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.4199105
33532,COc1ccccc1N1CCN(CCN2CCC(C(=O)NCc3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8739243
33533,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc(F)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79366386
33534,CS(=O)(=O)Oc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74614537
33535,CSCCCN1CCN(Cc2cccc(CNC(=O)C=Cc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60548764
33536,CSc1ccc(-c2cccc(CN3CCN(CCCCl)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6595384
33537,Cc1cc(OCCCN2CCC(c3ccccc3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.7315686
33538,Cc1cc(OCCCc2ccc(F)cc2)ccc1ON1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.19404516
33539,Cc1cc(OCCN)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.060898654
33540,Cc1cc(OCCN2CCC(c3ccccc3OC3CCC3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5588447
33541,Cc1cc(OCCNC(=O)c2ccccc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.012495369
33542,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCC(Cc2ccc(F)cc2F)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2290732
33543,Cc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3ccc(Cl)cc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6305242
33544,Fc1ccc(Cn2ccnc2C2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75961
33545,NOc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7644232
33546,O=C1OC(CCCN2CCN(Cc3cccc(Cl)c3)CC2)Nc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.44576725
33547,O=S(=O)(Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)c1ccc(F)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42284927
33548,O=c1sccn1CCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70946306
33549,Oc1cccc2c1CN1CCc3cc(Cc4c[nH]c5ccccc45)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6929053
33550,Oc1ccccc1N1CCN(CCN2CCC(c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7618017
33551,CC(=O)Nc1ccc(-c2cccc(CN3CCN(CCCF)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3204214
33552,CC(C)c1ccccc1N1CCN(CCN2CCC(c3ccc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6654846
33553,CC(C)c1ccccc1N1CCN(CCN2CCC(c3ccc4c(c3)NC(=O)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74513507
33554,CCC1=CC=CC(CCOc2ccc(OCCCS(N)(=O)=O)cc2C)=CN1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.058233146
33555,CCCOc1ccc(OC)c(C(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5080857
33556,CCCOc1ccc(OC)c(N2CCC(NC(=O)c3ccc(SC)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1903969
33557,CCCOc1ccc(OCC2CCc3ccc(F)cc3C2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5601424
33558,CCCOc1ccc(OCc2ccc(F)cc2)c(NS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09064725
33559,CCCOc1ccc(OF)c(CNC(=O)c2cc(C)ccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.014449837
33560,CCCOc1ccc(OF)c(N2CCCC(Cc3ccc(OC)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25110346
33561,CCCOc1ccc(ON2CCN(C)CC2)c(Cc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.45248935
33562,CCCOc1ccc(ON2CCN(c3ccccc3OC)C2=O)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2500485
33563,CCCOc1ccc(ON=S(C)(=O)O)c(-c2cc3c(cc2OCC2CCCCC2)CCC(=O)N3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15218526
33564,CCCOc1ccc(ONC(C)c2cccc(OC)c2)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.74537593
33565,CCCOc1ccc(OOC)c(-c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10845418
33566,CCCOc1ccc(OS(C)(=O)=O)c(N2CC=C(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32349154
33567,CCSc1cc(OCCNC(=O)COc2ccccc2C)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.01451035
33568,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccc(F)cc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7509791
33569,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccc(F)cn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7686984
33570,COC1CCN(CCN2CCN(c3ccccc3-n3cc(-c4ccccc4)n(C)c3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6838416
33571,COCCCN1CCN(Cc2cccc(N=C3c4ccccc4C(=O)c4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5780473
33572,CON1CCN(CCNC(=O)c2ccc(C)c(Cc3ccccc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30847707
33573,COc1cc2c(cc1-c1ccncc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6690514
33574,COc1cc2c(cc1OC)C1Cc3cccc(C=S(O)(O)=Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7376064
33575,COc1ccc(OCCN2CCC(Cc3ccc4ccccc4n3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.6110626
33576,COc1ccc(OCCN=S(C)(=O)O)cc1N1C(=O)CCc2cc(CCC3CCC3)ccc21,[*]CCOc1ccc(O[*])c([*])c1,0.16955413
33577,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(Oc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.32869372
33578,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(c2ccc(C(C)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20344432
33579,COc1ccc(OCCS(=N)(=O)O)cc1N1CCC(Cc2ccc(F)cc2)C(O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.31570935
33580,COc1ccc(OCCS(C)(=O)=O)cc1NCCC1CCC(=O)c2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.24016044
33581,COc1ccc(OCCS(C)=O)cc1N1CCC(CC(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3054278
33582,COc1cccc2c1CN1CCc3cc(CCF)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7338577
33583,COc1ccccc1C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8276
33584,COc1ccccc1CC(F)CCOc1ccc(ONS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07324433
33585,COc1ccccc1N1CCN(CCN2CCC(Nc3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9026117
33586,COc1ccccc1N1CCN(CCN2CCC(c3cc(C(F)(F)F)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87759984
33587,COc1ccccc1N1CCN(c2cc(OCCO)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.32771695
33588,COc1ccccc1NC(=O)Oc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32761
33589,CSc1ccc(OCCCOc2ccc(ON(C)[SH]=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.079225756
33590,Cc1cc(OCCN2CCC(c3ccc(OC4CCCCN4)cc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.51650447
33591,Cc1cc(OCCNC(=O)c2cccs2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.0155462045
33592,Cc1cc(OCCNS(C)(=O)=O)ccc1ONC(=O)Cc1ccncc1,[*]CCOc1ccc(O[*])c([*])c1,0.019639678
33593,Cc1cc(OCCS(=O)(=O)Cc2ccc(S(C)(=O)=O)cc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.022235135
33594,Cc1cc(OCCc2ccc(F)cc2)ccc1OCN1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3630197
33595,Cc1cccc2c1CN1CCc3cc(O)c(-c4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59141505
33596,Clc1cccc(CN2CCN(CCCC3CCCC3c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6473532
33597,O=C(NCCCCN1CCN(Cc2cccc(F)c2)CC1)c1cc2ccccc2oc1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6131912
33598,O=C1CCN(c2cccc(CN3CCN(CCCCl)CC3)c2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60898393
33599,Oc1cc(-c2ccccc2)cn1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7293454
33600,CC(C)(C)CCCN1CCN(Cc2cccc(-c3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60211265
33601,CCCOc1ccc(OC)c(CN2CCC(NS(=O)(=O)c3ccc(SC(F)(F)F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5342564
33602,CCCOc1ccc(OC)c(CN2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.43518493
33603,CCCOc1ccc(OC)c(N2CCC(c3ccc(OC)c(C(C)C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3534454
33604,CCCOc1ccc(OCCOc2ccccc2C)c(CN2CCN(C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.49770266
33605,CCCOc1ccc(OOC)c(N2CCN(CC(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35513452
33606,CCCOc1ccc(OS(C)(=O)=O)c(C2CCN(CCc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6879696
33607,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(OC)(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22395071
33608,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(Cc3ccc(OCC(F)(F)F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18637902
33609,CCCc1ccc(-c2cc3c(cc2OC)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7817345
33610,CCOc1cc2c(cc1O)C1Cc3cccc(-c4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5150339
33611,CCOc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6748109
33612,CCc1ccccc1N1CCN(CCOc2ccc(OC)c(C(C)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7627815
33613,CCc1ccccc1OC1CCC(NC)C1CCOc1ccc(ONS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17340703
33614,CCc1ccccc1S(=O)(=O)NCCOc1ccc(OC)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11204938
33615,CN1SC(CCCN2CCN(Cc3cccc(Cl)c3)CC2)Cc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7330094
33616,CNC(=O)COc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42545593
33617,COC1CCN(CCN2CCN(c3ccccc3-c3cc(F)cc(-c4ccc(Cl)cc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79706305
33618,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7372736
33619,COC1CCN(CCN2CCN(c3ccccc3Cc3ccc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70249784
33620,COCCCN1CCN(Cc2cccc(-c3ccccn3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6033478
33621,COc1cc2c(cc1CNC(=O)C1CCCCC1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40613544
33622,COc1cc2c(cc1Cl)CCN1Cc3c(cccc3C[N+](=O)c3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45878407
33623,COc1cc2c(cc1O)C1Cc3cccc(C(c4ccccc4)N(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7348066
33624,COc1cc2c(cc1OCCc1ccccc1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6206254
33625,COc1ccc(CNOc2ccc(OCCNS(C)(=O)=O)cc2C)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.06945355
33626,COc1ccc(NC2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)c(OC)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4825785
33627,COc1ccc(OCCBr)cc1NCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.09157915
33628,COc1ccc(OCCCCc2ccccc2)cc1CNC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.044472743
33629,COc1ccc(OCCN2CCC(Nc3cccc(C(C)=O)c3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.23858127
33630,COc1ccc(OCCN2CCCC(Oc3ccc(CC4CCCCC4)cc3)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.40063164
33631,COc1ccc(OCCN2CCN(c3ccccc3C(C)C)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.6289446
33632,COc1ccc(OCCN=S(C)(=O)O)cc1-c1ccc(OCCF)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.0489991
33633,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCC(CCc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.22647329
33634,COc1ccc(OCCNCc2ccccn2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.17564201
33635,COc1ccc(OCCc2ccc(OCC(F)(F)F)cc2)cc1S(=O)(=O)N1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.10387071
33636,COc1cccc(CN2CCN(CCCCNC(=O)C3CCCCCC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5729038
33637,COc1cccc(CN2CCN(CCCCc3ccc4oc(=O)ccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7114177
33638,COc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4cncnc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.88479125
33639,COc1cccn(CCCCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56830376
33640,Cc1cc(OCCN2CCCC(Cc3ccc(F)cc3)C2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.39813507
33641,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCCC(Cc2ccc3c(c2)CCC(=O)N3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.20680866
33642,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCN(Cc2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.34651178
33643,Cc1cccc2c1CN1CCc3cc(Cc4ccccc4Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6040222
33644,Cc1ccccc1N1CCN(CCN2CCC(c3ccc(N)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64226115
33645,FCCCN1CCN(Cc2cccc(-c3ccccn3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70613474
33646,FCc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8084405
33647,Nc1cccc2c1CN1CCc3cc(Cc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7236476
33648,O=C(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1cccnc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.47406662
33649,O=C1CCc2ccc(-c3cccc(CN4CCN(CCCCl)CC4)c3)cc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.73680454
33650,Oc1cc2ccccc2n1CCCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.74431187
33651,Oc1ccc2nc(Oc3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)ccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6697485
33652,CC(C)Cc1ccccc1N1CCN(CCN2CCC(c3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72139776
33653,CCCOc1ccc(OCN2CCCN(c3ccccc3OC)CC2)c(OC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.51853746
33654,CCCOc1ccc(OCN2CCN(c3ccccc3OC)CC2)c(Cn2ccnc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6991602
33655,CCCOc1ccc(OSC)c(CCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10277068
33656,COC1CCN(CCN2CCN(c3ccccc3-c3cnc(O)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7107276
33657,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4ccc(=O)oc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8533782
33658,COCCCN1CCN(Cc2cccc(CCNC(=O)c3cc4ccccc4s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.380527
33659,COCCCN1CCN(Cc2cccc(CNC(=O)OC(C)(C)C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49455783
33660,COCCOc1ccc(OC)c(CCCSc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16253065
33661,COOc1ccc(OCCCCF)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.10930211
33662,COOc1ccc(OCCCCOc2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.10475141
33663,COOc1ccc(OCCN2CCC(Oc3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6378294
33664,COc1cc2c(cc1C)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71686727
33665,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78686184
33666,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccccc1SC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35261527
33667,COc1ccc(C(=O)NCCN2CCN(c3ccccc3Br)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.7490902
33668,COc1ccc(OCCCNC(=O)c2ccccc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.032531474
33669,COc1ccc(OCCCNS(C)(=O)=O)cc1N1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.32010254
33670,COc1ccc(OCCN2CCCC(Cc3ccccc3)C2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.4280554
33671,COc1ccc(OCCN=S(C)(=O)O)cc1C1CCC(Cc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27602947
33672,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(c2ccccc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18571441
33673,COc1ccc(OCCN=S(C)(=O)O)cc1NC(O)CCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.2028536
33674,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(Oc2ccc(NS(C)(=O)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25084695
33675,COc1ccc(OCCc2ccc(CS(C)(=O)=O)cc2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10135343
33676,COc1ccc2c(c1)nc(O)n2-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65677196
33677,COc1ccc2nccc(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)c2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79506016
33678,COc1cccc(CN2CCN(CCCCCN3C(=O)CSc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6894657
33679,COc1cccc2c1CN1CCc3cc(C)c(OCC4CCCCC4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54483336
33680,COc1cccc2c1CN1CCc3cc(CNCc4ccc(C#N)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63546336
33681,CS(=O)(=O)c1cccc(CN2CCN(CCCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62983143
33682,Cc1cc(OCCF)ccc1ONC(=O)c1ccc(OCC2CCNC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.10188656
33683,Cc1cc(OCCN(C)C)ccc1ON1CCC(c2ccccc2)C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.26755244
33684,Cc1cc(OCCN2CCC(Cc3ccc4ccccc4n3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.4695879
33685,Cc1cc(OCCN2CCC(OCc3ccc4c(c3)NC(=O)CCC4)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.52573484
33686,Cc1cc(OCCNC(=O)OCc2ccccc2)ccc1OS(C)(=O)=NO,[*]CCOc1ccc(O[*])c([*])c1,0.028658183
33687,Cc1cc(OCCNC2CCc3ccccc3C2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.42345637
33688,Cc1cc(OCCNCCc2ccc3c(c2)CCCC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.20322265
33689,Cc1cc(OCCNCc2ccccc2)ccc1ONS(=O)(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.25117677
33690,Cc1cn(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)nc1-c1ccccc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66870844
33691,ClC1CCN(CCN2CCN(c3ccccc3-c3nc[nH]n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7738425
33692,ClC1CCN(CCN2CCN(c3ccccc3CNCc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7751552
33693,ClC1CCN(CCN2CCN(c3ccccc3Cc3cnc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78801084
33694,Clc1ccccc1N1CCN(CCN2CCC(c3cccc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7828649
33695,N#CC1CCN(CCN2CCN(c3ccccc3-n3ccnc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77740026
33696,N[N+](=Cc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2)c1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5918942
33697,O=C(Nc1c(F)cccc1F)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4482826
33698,O=C(c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1)c1cc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46334487
33699,O=C1COc2ccccc2N1c1cccc(CN2CCN(CCCOC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.657101
33700,O=C1c2ccccc2S(=O)(=O)N1CCCCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7163514
33701,O=c1cc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cnc2ccccc12,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7036104
33702,OCCCN1CCN(Cc2cccc(Oc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6550608
33703,Oc1cc2c(cc1NOCc1ccccc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5952329
33704,CC(C)(C)OC(=O)NC1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76958483
33705,CC(C)c1ccccc1N1CCN(CCN2CCC(n3cc(F)ccc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71039796
33706,CC(C)c1ccccc1N1CCN(CCN2CCC(n3ccc(C(F)(F)F)cc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73619896
33707,CCC(=O)Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32775864
33708,CCCOc1ccc(ON2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c(NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16285965
33709,CCCOc1ccc(ON2CCN(c3ccc(OCC)cc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27339092
33710,CCCOc1ccc(ONC=O)c(N2CCN(CCc3cc4ccccc4o3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6581273
33711,CCCOc1ccc(OS(=O)(=O)O)c(NCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05988841
33712,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)COc2cccc(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0059728953
33713,CCCOc1ccc(OSC)c(NCCc2ccc3c(c2)CCC(=O)O3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16586901
33714,CCCc1ccc(OC2CCCCC2)c(Oc2ccc(OCCNS(=O)(=O)C(F)(F)F)cc2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17069182
33715,CCOC1CCN(CCN2CCN(c3ccccc3-c3nc(O)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6879704
33716,CCS(=O)(=O)Oc1cc2c(cc1C)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6194948
33717,CN(C(=O)c1ccccc1)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53141254
33718,COC1CCN(CCN2CCN(c3ccccc3-c3cn(-c4ccccc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74608797
33719,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3cc4ccc3CCc3ccc(cc3)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7087784
33720,COC1CCN(CCN2CCN(c3ccccc3CNC3CCc4ccc(O)cc4C3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7705434
33721,COCCCN1CCN(Cc2cccc(-c3ccc4ncccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5487992
33722,COOc1ccc(OCCCS(=O)(=O)c2cc(F)ccc2C(C)=O)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.0429234
33723,COOc1ccc(OCCNCc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.34517685
33724,COc1cc2c(cc1O)C1Cc3cccc(OC(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.81356174
33725,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccc5c(c4)OCO5)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6357595
33726,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(OC)c(OC)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7047558
33727,COc1cc2c(cc1OCc1ccc(C(C)C)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7062252
33728,COc1ccc(OCCC(=O)COc2ccc(CF)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.015311198
33729,COc1ccc(OCCCCCc2ccc3c(c2)CCC(=O)N3)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.20068367
33730,COc1ccc(OCCCOc2ccc(F)cc2)cc1N1CCNC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.2516317
33731,COc1ccc(OCCCS(=O)(=O)c2cc(F)ccc2C(C)=O)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.039891686
33732,COc1ccc(OCCN2CCN(c3ccccc3OCC(C)C)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.8696893
33733,COc1ccc(OCCN=S(C)(=O)O)cc1Nc1cccs1,[*]CCOc1ccc(O[*])c([*])c1,0.057522073
33734,COc1ccc(OCCNC(=O)CCc2ccccc2)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.023698254
33735,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(Cc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.25640583
33736,COc1ccc2c(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)nc(O)cc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7068735
33737,COc1cccc2c1CN1CCc3cc(Cc4cccnc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.656987
33738,COc1ccccc1C1CCN(c2cc(OCCC(C)=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18723835
33739,COc1ccccc1N1CCN(CCN2CCC(Cc3cccc4cc(O)nc-4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7545163
33740,COc1ccccc1N1CCN(Oc2ccc(OCCF)cc2C)C1C=O,[*]CCOc1ccc(O[*])c([*])c1,0.25585946
33741,CS(=O)(=O)NOc1ccc(OCCF)cc1CN1CCC(Oc2ccc(CC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.34041795
33742,CSOc1ccc(OCCN2CCC(Cc3cccs3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5683076
33743,Cc1cc(OCCCN2CCc3ccccc3C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.49682906
33744,Cc1cc(OCCF)ccc1ON1CCC(Cc2ccc(S(C)(=O)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1389154
33745,Cc1cc(OCCN2CCC(CCc3ccc(F)cc3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.70356196
33746,Cc1cc(OCCNC(=O)COc2ccccc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.021149585
33747,Cc1cc(OCCNCCc2ccc(F)cc2)ccc1ONS(=O)(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.18709835
33748,Cc1cc(OCCNS(=O)(=O)c2cc(F)ccc2F)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06447065
33749,Cc1cc2c(cc1N1CCCCC1=O)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38807192
33750,Cc1cc2c(cc1O)C1Cc3cccc([N+](=O)[O-])c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50391906
33751,ClC1CCN(CCN2CCN(c3ccccc3-c3cc4ccccc4o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77766395
33752,FC(F)(F)c1cccc(CN2CCN(CCCc3cc4ccccc4s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67094177
33753,Fc1cccc(CN2CCN(CCCCNc3cccs3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.601941
33754,O=C(c1ccc(F)cc1)C1CCN(CCN2CCN(c3ccccc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85450935
33755,Oc1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6077267
33756,C=Cc1ccccc1OC1CCN(c2cc(OCCCS(N)(=O)=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28946713
33757,CC(=O)NCc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4751146
33758,CCCOc1ccc(OC)c(CN2CCN(C(=O)c3cc(SC)ccc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.087254174
33759,CCCOc1ccc(OC)c(N2CCCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31017265
33760,CCCOc1ccc(OF)c(CN2CCCN(c3ccc(C(C)=O)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35954523
33761,CCCOc1ccc(ON=S(C)(=O)O)c(NC(=O)Cc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.007830347
33762,CCCOc1ccc(ONS(C)(=O)=O)c(CCCc2ccc3c(c2)CCC(=O)N3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16443434
33763,CCCOc1ccc(OS(C)(=O)=O)c(CN2CCC(Oc3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4474078
33764,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3cc4ccccc4o3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35254133
33765,CCOc1ccccc1N1CCN(CCN2CCC(Cc3cnc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71397483
33766,CNCc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71484137
33767,CNOc1ccc(OCCN2CCC(Cc3ccc(OC)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.50854
33768,COC1CCN(CCN2CCN(c3ccccc3-c3cc(-c4ccccc4)n[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.799728
33769,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccc(C#N)cc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8119669
33770,COCCOc1ccc(OCN2CCN(c3ccc(OC)c(C(C)C)c3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.41858473
33771,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(C#N)cn3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62026644
33772,COc1cc2c(cc1OC)C1Cc3cccc(OCc4ccc5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69344884
33773,COc1ccc(C(=O)NCCN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.14761598
33774,COc1ccc(C2CCN(CCOc3ccc(OC)c(SC)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.7331656
33775,COc1ccc(OCCCCCc2cccc(F)c2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.11228453
33776,COc1ccc(OCCCCNC(=O)c2ccc(C(C)=O)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.05562833
33777,COc1ccc(OCCCS(=O)(=O)c2ccc(F)c(F)c2)cc1CN(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.075399525
33778,COc1ccc(OCCN2CCC(c3ccccc3CC(F)(F)F)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.55768013
33779,COc1ccc(OCCNC(=O)C=Cc2ccccc2)cc1N(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.058342744
33780,COc1ccc(OCCNS(=O)(=O)c2cc(F)ccc2F)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09264403
33781,COc1cccc(C(=O)Nc2cccc(CN3CCN(CCCCl)CC3)c2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.334884
33782,COc1cccc(OCC(=O)NCCOc2ccc(ON=S(C)(=O)O)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.022056295
33783,COc1cccc2c1CN1CCc3cc(O)c(-c4c(CO)cccc4OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73561454
33784,COc1ccccc1N1CCN(CCN2CCC(C3=C(F)C=CC(F)(F)N=C3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74838173
33785,CSOc1ccc(OCCN2CCCC(Cc3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.56459117
33786,CSc1ccc(OOc2ccc(OCCNCCc3ccc(F)cc3)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.15823269
33787,Cc1cc(OCCCNc2ccccc2)ccc1OF,[*]CCOc1ccc(O[*])c([*])c1,0.07705913
33788,Cc1cc(OCCN2CCCC(Cc3ccc4c(c3)NC(=O)CCC4)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.43816444
33789,Cc1cc(OCCNC(=O)COc2ccc(C(F)(F)F)cc2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.008820432
33790,Cc1cc(OCCNCCc2ccc3c(c2)CC(=O)CC3)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.19666986
33791,Cc1cc(OCCNCCc2ccccc2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.2384647
33792,Cc1cc(OCCNS(C)(=O)=O)ccc1OOC1CCc2ccc(S(C)(=O)=O)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.1859837
33793,Cc1cc2c(cc1CO)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6409623
33794,Cc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc4[nH]ccc4c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5630114
33795,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccccc3C#Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65743953
33796,Cc1ccccc1N1CCN(CCN2CCC(c3ccccc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70705533
33797,ClC1CCN(CCN2CCN(c3ccccc3Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8071518
33798,ClCCCN1CCN(Cc2cccc(-c3cccc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6302327
33799,ClCCCN1CCN(Cc2cccc(Cc3cccc(-c4ccccc4)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69850785
33800,Clc1ccccc1N1CCN(CCN2CCC(c3ncnc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72340757
33801,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)N1C(=O)CCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6076505
33802,O=C(Nc1ccccc1)c1cccc(CN2CCN(CCCOc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.32872912
33803,O=C(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1cnc2ccccc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.44444785
33804,O=S1(=O)CCc2ccccc2N1c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7028989
33805,CC(=O)c1ccc(C2CCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.5070984
33806,CC1CCN(CCN2CCN(c3ccccc3-n3cc(-c4ccccc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7262981
33807,CCCOc1ccc(ONC(C)=O)c(CNc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.017498134
33808,CCCOc1ccc(OOS(=O)(=O)C(F)(F)F)c(NCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.071126565
33809,CCCOc1ccc(OS(C)(=O)=O)c(CC(=O)COc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20503373
33810,CCCOc1ccc(OS(N)(=O)=O)c(CCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09831136
33811,CCCOc1ccc(O[N+](=O)[O-])c(N2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24659559
33812,CCCc1cccc2c1CN1CCc3cc(OC)c(OCc4cccc(OC)c4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68499744
33813,CNC(=O)c1cccc(Cc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45316166
33814,COC1CCN(CCN2CCN(c3ccccc3-c3ccc4c(c3)NC(=O)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7740078
33815,COC1CCN(CCN2CCN(c3ccccc3C(=O)C3CCc4ccc(O)cc4C3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6645326
33816,COc1cc2c(cc1-c1cccc(F)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6884749
33817,COc1cc2c(cc1Cc1cccc(NC(C)=O)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3209899
33818,COc1cc2c(cc1Cc1cccc([N+](=O)[O-])c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5555555
33819,COc1ccc(OCCC(C)=O)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.022270903
33820,COc1ccc(OCCCN2CCC(c3cc(C)on3)CC2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6513165
33821,COc1ccc(OCCN2CCC(c3ccc(F)cc3)CC2)cc1[SH](C)O,[*]CCOc1ccc(O[*])c([*])c1,0.696445
33822,COc1ccc(OCCN2CCN(c3ccccc3OC(C)C)CC2)cc1S(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.8913466
33823,COc1ccc(OCCNC(=O)Cc2ccc3c(c2)CCCC3)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07080523
33824,COc1ccc(OCCNC(=O)c2ccccc2OC)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.03364046
33825,COc1ccc(OCCNCCc2ccc(F)cc2)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.14342104
33826,COc1ccc(OCCO)cc1N1CCCC(Cc2ccc3c(c2)NC(=O)CC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.347976
33827,COc1cccc(CN2CCN(CCCC3C(=O)Cc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6440754
33828,COc1ccccc1CN1CCN(CCOc2ccc(OS(C)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.49238473
33829,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8831711
33830,COc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3cccc(OC(F)(F)F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70922124
33831,CS(=O)(=O)c1cc(OCCF)ccc1ON1CCC(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23382472
33832,CS(=O)(O)=NCCOc1ccc(OF)c(CN2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39790455
33833,Cc1cc(OCCCCCc2ccc3c(c2)NC(=O)CC3)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.21029782
33834,Cc1cc(OCCCN2CCC(Cc3ccc(F)cc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6169666
33835,Cc1cc(OCCCS(C)(=O)=O)ccc1ON1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28690442
33836,Cc1cc(OCCN)ccc1OCN1CCC(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4764908
33837,Cc1cc(OCCN2CCC(Cc3ccccc3F)CC2)ccc1OOS,[*]CCOc1ccc(O[*])c([*])c1,0.62509686
33838,Cc1cc(OCCN2CCC(c3ccccc3OC3CCCCC3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.67545736
33839,Cc1cc(OCCNS(=O)(=O)c2cc(F)ccc2F)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09332277
33840,Cc1cc(OCCOCCc2ccccc2)ccc1ON1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.31220037
33841,Cc1cccc(CN2CCN(CCCCc3ccc4c(c3)C(=O)N(c3ccccc3)C4=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6845649
33842,ClC1CCN(CCN2CCN(c3ccccc3-c3cc4ccccc4nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8209057
33843,FC(F)(F)CCCN1CCN(Cc2cccc(-c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64971673
33844,Fc1ccc(-c2cccc(CN3CCN(CCCc4ccccc4)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7450861
33845,NOc1ccc(OCCN2CCC(Cc3ccc(F)cc3)CC2)cc1CO,[*]CCOc1ccc(O[*])c([*])c1,0.64603376
33846,O=C(Cc1ccccc1)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47154185
33847,O=C(Oc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)c1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5041821
33848,O=C(c1ccc(O)cc1)c1ccccc1N1CCN(CCN2CCC(Br)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69404024
33849,O=C1CCc2cc(CCCN3CCN(Cc4cccc(Cl)c4)CC3)sc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6961136
33850,O=C1CCc2ccc(COC3CCN(CCN4CCN(c5ccccc5Cl)CC4)CC3)cc2N1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84896153
33851,O=[N+]([O-])c1ccccc1N1CCN(CCN2CCC(c3cccc(O)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5875694
33852,O=c1n(-c2ccccc2)ccn1-c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6982823
33853,OCC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8057571
33854,Oc1cccc2c(CCCN3CCN(Cc4cccc(Cl)c4)CC3)ccnc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7175793
33855,CC(=O)NCc1cc2c(cc1O)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35297316
33856,CC(C)(C)NCc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6608978
33857,CC1Cc2ccccc2N1CCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.78776604
33858,CCCN1CCC(c2cc(OCCc3ccc(F)cc3)ccc2OOC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7359937
33859,CCCN1CCC(c2ccc(Oc3ccc(OCCOS(C)(=O)=O)cc3C)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.49203408
33860,CCCOc1ccc(ON2CCCCC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19585338
33861,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(COc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.43165463
33862,CCCOc1ccc(OS(C)(=O)=O)c(NCCc2cccc3cc(F)ccc23)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09643524
33863,CCCOc1ccc(OS(C)=O)c(NCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06855612
33864,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(CCc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3897829
33865,CCOc1ccccc1CCCN1CCN(Cc2cccc(OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6167727
33866,CCOc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3cc4ccc3CCc3ccc(cc3)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68950355
33867,COC(=O)C1Cc2ccccc2N1C(=O)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6536398
33868,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.63551337
33869,COCCCN1CCN(Cc2cccc(Cc3cccc(-c4ccccc4)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6336181
33870,COCc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(OC)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.690272
33871,COc1cc2c(cc1C)CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7151424
33872,COc1cc2c(cc1CNc1cccc(C)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5464885
33873,COc1cc2c(cc1Cc1ccccc1)CCN1Cc3c(C#N)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77540743
33874,COc1cc2c(cc1OC)C1Cc3cccc(CN(C)C(=O)c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4658364
33875,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(OCc4cccc([N+](=O)[O-])c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4356092
33876,COc1ccc(CNOc2ccc(OCCS(C)(=O)=O)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.05741646
33877,COc1ccc(OCCCN2CCC(c3ccc(F)cc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.8703462
33878,COc1ccc(OCCN2CC=C(c3ccccc3)CC2)cc1OS(=O)(=O)C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.36083958
33879,COc1ccc(OCCN2CCC(Oc3ccc(C(C)=O)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.47619146
33880,COc1ccc(OCCN2CCCC(Cc3ccc(OC4CCCCC4=O)cc3)C2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.32931298
33881,COc1ccc(OCCN=S(C)(=O)O)cc1C(C)Cc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.065458715
33882,COc1ccc(OCCNCc2ccc(OC3CCCCC3)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.17440993
33883,COc1ccc(OCCNS(=O)(=O)c2ccc(F)cc2)cc1N1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.13864747
33884,COc1ccc(OCCS(C)(=O)=O)cc1C(=O)COc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07793859
33885,COc1cccc(CN2CCN(CCCCN3C(=O)CCc4c(OC)cccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6210746
33886,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc(-c4cccc(O)n4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77244735
33887,COc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3cc4ccccc4[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82109076
33888,COc1ccccc1N1CCN(CCN2CCC(c3ccc4cc(O)cnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7666715
33889,COc1ccccc1N1CCN(CCN2CCC(c3ccccc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83271253
33890,Cc1cc(OCCC(O)COc2ccc3c(c2)NC(=O)CC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.14206745
33891,Cc1cc(OCCCc2ccc(CS(C)(=O)=O)cc2)ccc1ON1CCC(C)OC1,[*]CCOc1ccc(O[*])c([*])c1,0.22802351
33892,Cc1cc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.592529
33893,Cc1cc(OCCN2CCC(Oc3ccc(F)cc3)CC2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5895027
33894,Cc1cc(OCCNC(=O)Cc2ccccc2)ccc1ON=S(C)(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.017495885
33895,Cc1cc(OCCOCc2ccccc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.07299824
33896,Cc1ccc(S(=O)(=O)NOc2ccc(OCCF)cc2C)s1,[*]CCOc1ccc(O[*])c([*])c1,0.04597363
33897,Cc1cccc2c1CN1CCc3cc(-c4cccc([N+](=O)[O-])c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35591978
33898,Fc1ccc(SCCCN2CCN(Cc3cccc(Cl)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66169107
33899,N[N+](=O)c1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5001246
33900,O=C(Cc1cccc(CN2CCN(CCCCl)CC2)c1)Nc1cccs1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.30593008
33901,O=C(NC1CCN(CCN2CCN(c3ccccc3F)CC2)CC1)c1ccc2ccccc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6624169
33902,O=S(=O)(Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)Oc1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4747622
33903,O=[SH](O)(c1ccc(F)cc1)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65659934
33904,Oc1cc2c(cc1O)C1Cc3cccc(C(O)Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6026022
33905,[O-]Cc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70412403
33906,CC(=O)OCCOc1ccc(ON2CCCC3(CCc4ccccc4C3)C2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14731103
33907,CC1CCN(CCN2CCN(c3ccccc3-n3c(O)nc4cccc(F)c43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72332686
33908,CCC(=O)Oc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5396264
33909,CCCOc1ccc(OC)c(C(=O)Nc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.015149974
33910,CCCOc1ccc(OC)c(N2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.43507567
33911,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(Cc3ccc4c(c3)CC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3562792
33912,CCCOc1ccc(OOC)c(N2CCN(c3cccc(C(F)(F)F)c3F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.45935175
33913,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(COc3ccc(C(F)(F)F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25545615
33914,CCCOc1ccc(OS(N)(=O)=O)c(Cc2ccc(C(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10187219
33915,CCCOc1ccc(OSC)c(CCCc2ccc3c(c2)CCC(=O)N3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13511577
33916,CCOCCOc1ccc(OC)c(CCN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8791845
33917,COC(=O)Nc1ccc(-c2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3532257
33918,COCCCN1CCN(Cc2cccc(Oc3ccc4nc(O)ccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5475804
33919,COCCOc1ccc(OC)c(CN2CCN(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8012064
33920,COc1cc2c(cc1C(=O)CCc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5807655
33921,COc1cc2c(cc1C)CCN1Cc3c(cccc3OCc3ccc(S(C)(=O)=O)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39110127
33922,COc1cc2c(cc1O)C1Cc3cccc(NS(=O)(=O)c4ccc(C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35665685
33923,COc1ccc(-c2cc3c(cc2OC)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7396439
33924,COc1ccc(OCCC(=O)Nc2ccc(F)cc2)cc1C(=O)N(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.0050383015
33925,COc1ccc(OCCN2CCN(c3ccc(Cl)cc3)CC2=O)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.26170757
33926,COc1ccc(OCCNCCC(=O)c2cccs2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.10307107
33927,COc1ccc(OCCNS(=O)(=O)c2cc(F)ccc2C(C)=O)cc1C(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.028546777
33928,COc1ccc(OCCS(C)(=O)=O)cc1NCCC1C=Cc2cc(C)ccc2CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2518739
33929,COc1ccc(OCCSC)cc1NC(=O)c1ccc(F)c(C2CCCNC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07560314
33930,COc1cccc(-c2cccc3c2CN2CCc4cc(Cc5ccccc5)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52867925
33931,COc1cccc(CCc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8137046
33932,COc1cccc(CN2CCN(CCCCn3cccc(OC)c3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56650656
33933,COc1cccc(CN2CCN(CCCO)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6232752
33934,COc1cccc2c1CN1CCc3cc(CNc4ccc(C)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41608736
33935,COc1ccccc1-c1cc(C(=O)NCCN2CCN(NC(C)=O)CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2631012
33936,COc1ccccc1Cc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74639434
33937,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc4cccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76751006
33938,COc1ccccc1N1CCN(CCN2CCC(c3cnnc(-c4ccc(F)cc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8659091
33939,COc1ccccc1N1CCN(CCN2CCC(c3ncccc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8132756
33940,COc1ccccc1N1CCN(COc2ccc(OCC[N+](=O)[O-])cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5116494
33941,Cc1cc(OCCCCCc2cccc(Cl)c2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.082767665
33942,Cc1cc(OCCCCSc2ccc(F)cc2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09741681
33943,Cc1cc(OCCN2CCCC(COc3ccc4c(c3)NC(=O)CC4)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5122457
33944,Cc1cc(OCCN2CCc3cc(CC(=O)O)ccc3C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.37028986
33945,Cc1cc(OCCNC(=O)COc2ccc3c(c2)NC(=O)CC3)ccc1OCCN,[*]CCOc1ccc(O[*])c([*])c1,0.059686843
33946,Cc1cc(OCCNc2ccccc2OCC(C)C)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.043132573
33947,Cc1cc2c(cc1CO)CCN1Cc3c(cccc3-c3ccccc3C#N)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.529745
33948,Cc1ccc(OC2CCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.39811364
33949,ClCCCN1CCN(Cc2cccc(N3c4ccccc4CC34CCCC4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.73166347
33950,FC(F)(F)c1cccc(CN2CCN(CCCCc3cccc4ccccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6985319
33951,OCc1cccc2c1CN1CCc3cc(-c4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7349712
33952,OCc1ccccc1-c1cccc2c1CN1CCc3cc(Br)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6196987
33953,Oc1cc2c(cc1Cc1cccs1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7556828
33954,C=Cc1ccccc1-c1ccc(C(=O)NCCN2CCN(OC)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31908908
33955,CCCCn1cc(CCOc2ccc(OOC)c(CNCCC)c2)nn1,[*]CCOc1ccc(O[*])c([*])c1,0.114493854
33956,CCCOc1ccc(OCN2CCN(c3ccccc3OCC)CC2)c(S(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6917576
33957,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(Oc3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31859356
33958,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCCCC2c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37374935
33959,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(c3ccc(CC(C)=O)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13139087
33960,CCCOc1ccc(OSC)c(N2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39375186
33961,CCN1C(=O)CCc2ccc(CC(=O)Nc3cc(OCCS(C)(=O)=O)ccc3OC)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.053274237
33962,CCOc1cc2c(cc1OC)CN(CCOc1ccc(OOC)c(C)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.44269204
33963,CCc1ccccc1OC1CCN(CCOc2ccc(OC)c(OS(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.60934776
33964,COC1CCN(CCN2CCN(c3ccccc3C(=O)C3COc4ccc(O)cc4C3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5691595
33965,COCCCN1CCN(Cc2cccc(-c3ccc4c(c3)NOCC4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5957801
33966,COCCCN1CCN(Cc2cccc(CNC(=O)c3ccc4cc(OC)ccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.38947967
33967,COOc1ccc(OCCN2CCC(NS(=O)(=O)c3cccc(C(N)=O)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5291735
33968,COc1cc2c(cc1O)CCN1Cc3c(C=S(O)c4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.767272
33969,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(COC5CCCC5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6279615
33970,COc1ccc(COC(=O)c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56329185
33971,COc1ccc(COc2cc3c(cc2OC)C2Cc4cccc(C(C)C)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8040263
33972,COc1ccc(Cc2cc3c(cc2OC)C2Cc4cccc(C)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6422335
33973,COc1ccc(OCCC(C)Cc2cccs2)cc1CCN(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.16219316
33974,COc1ccc(OCCC(N)=O)cc1-c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.03593034
33975,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCC4)CC2)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.64687556
33976,COc1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.5487457
33977,COc1ccc(OCCN2CCC(NC(=O)c3ccc(SC)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5458061
33978,COc1ccc(OCCNC(C)=O)cc1CCCc1cccc2ccc(F)cc12,[*]CCOc1ccc(O[*])c([*])c1,0.04989729
33979,COc1ccc(OCCNCCc2ccccc2F)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2208008
33980,COc1ccc(OCCNS(C)(=O)=O)cc1-c1ccc(CC2CCc3ccccc3C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.28349006
33981,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(c2cccc(OC(C)C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.227738
33982,COc1ccc2oc(CCCCN3CCN(Cc4cccc(Cl)c4)CC3)cc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.720801
33983,COc1ccccc1C1CCN(c2cc(OCCS(N)(=O)=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29081005
33984,COc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3cc4ccccc4s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8266808
33985,COc1ccccc1N1CCN(CCN2CCC(NC(=O)C#Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8528817
33986,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(C=O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81018966
33987,COc1ccccc1N1CCN(CCN2CCC(n3cc(F)cnc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82736915
33988,CSc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64501643
33989,Cc1cc(OCCCN(C)C)ccc1OCN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.23478855
33990,Cc1cc(OCCN=S(C)(=O)O)ccc1OCC(C)COc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.18099092
33991,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.18854462
33992,Cc1cc(OCCNS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.03958437
33993,Cc1cccc(CN2CCN(CCCCN3C(=O)CCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.82440555
33994,Cc1ccccc1CNC(=O)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3758721
33995,FC(F)(F)c1cccc(CN2CCN(CCCSc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6262477
33996,Fc1ccc(-c2ccnc(C3CCN(CCN4CCN(c5ccccc5F)CC4)CC3)c2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7670659
33997,O=CCCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65890235
33998,O=S1(=O)Cc2ccccc2N1Cc1cccc(CN2CCN(CCCc3ccc(F)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7145911
33999,Oc1cc2c(cc1COc1ccccc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6824472
34000,Oc1nc2ccccc2n1C1CCN(CCN2CCN(c3ccccc3CC(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66724735
34001,CC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65437937
34002,CCCCc1ccc(C(=O)Nc2cc(OCCC)ccc2ONC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.016431164
34003,CCCOc1ccc(OC)c(CN2CCC(c3ccccc3C(F)(F)F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.64751476
34004,CCCOc1ccc(OCS(N)(=O)=O)c(NCc2ccc(OCC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05941336
34005,CCCOc1ccc(OCn2ccc(C3CCCCC3)c2)c(N)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2286537
34006,CCCOc1ccc(ON2C=CN(C(C)=O)CC2)c(N2CCCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10209449
34007,CCCOc1ccc(ON2CCN(c3ccccc3OCC(F)(F)F)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38942486
34008,CCCOc1ccc(OOC)c(N2CCC(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3994718
34009,CCCOc1ccc(OSC)c(N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.71917915
34010,CCOc1ccccc1N1CCN(CCN2CCC(c3ccc(OC)c(OC)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.821542
34011,CCc1cccc2c1CN1CCc3cc(Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.719228
34012,COC1CCN(CCN2CCN(c3ccccc3-c3c(O)nc4ccccc4c3C=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65903306
34013,COC1CCN(CCN2CCN(c3ccccc3-c3cncc(-c4ccc(Cl)cc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69673365
34014,COCCOc1ccc(OCCNc2ccccc2OC)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0431654
34015,COOc1ccc(OCCNC(=O)CCc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.05661582
34016,COc1cc(S(C)(=O)=O)ccc1CNC(=O)Oc1ccc(OCCF)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.0099043995
34017,COc1cc2c(cc1-c1cccc(NC3CCCCC3)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3048664
34018,COc1cc2c(cc1OC(C)(F)F)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.83202046
34019,COc1cc2c(cc1OC)C1Cc3cccc(C#CCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78659904
34020,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)c4ccc([N+](=O)[O-])cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39805928
34021,COc1cc2c(cc1OC)C1Cc3cccc([N+](=O)[O-])c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54467183
34022,COc1ccc(C(=O)NCCN2CCN(c3cccc(C)c3)CC2)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.61083174
34023,COc1ccc(C(=O)NCCOc2ccc(ON3CCN(c4ccccc4OC)CC3)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.25584948
34024,COc1ccc(F)cc1S(=O)(=O)NCCOc1ccc(OS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0804407
34025,COc1ccc(OCCCS(=O)(=O)c2ccccc2C(C)C)cc1N1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.30770385
34026,COc1ccc(OCCN2CCC(F)CS2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.28337905
34027,COc1ccc(OCCN2CCCC(CCc3ccc4c(c3)NC(=O)CC4)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.48157135
34028,COc1ccc(OCCN2CCCC(COc3ccccc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4507274
34029,COc1ccc(OCCN2CCCC(Cc3ccc(F)cc3)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5256806
34030,COc1ccc(OCCN2CCCC(Oc3ccc(CC(F)(F)F)cc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4197151
34031,COc1ccc(OCCNC(=O)CCc2ccccc2)cc1CO,[*]CCOc1ccc(O[*])c([*])c1,0.021306705
34032,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1CN1CCN(C=[SH]c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.12056709
34033,COc1ccc(OCCNc2ccc(OCC(F)(F)F)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.0625721
34034,COc1ccc(OCCS(C)(=O)=O)cc1-c1ccccc1OCC(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.13062938
34035,COc1cccc(CN2CCN(CCCCNC(=O)C=Cc3ccco3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48616853
34036,COc1cccc2c1CN1CCc3cc(-c4c(O)cccc4OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7443095
34037,COc1cccc2c1CN1CCc3cc(-c4cccc5[nH]ccc45)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7195369
34038,COc1ccccc1Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56441146
34039,CSOc1ccc(OCCN2CCN(Cc3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.57475585
34040,Cc1cc(OCCCN2CCC(Cc3ccc(F)cc3)CC2)ccc1OS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.54304075
34041,Cc1cc(OCCNCC(=O)c2ccc(F)c(S(N)(=O)=O)c2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07944548
34042,Cc1cc(OCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)ccc1ON1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.27124003
34043,Cc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.63338995
34044,Cc1ccccc1N1CCN(CCN2CCC(c3ccc(C(F)(F)F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5849165
34045,NS(=O)(=O)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71596134
34046,O=C1Nc2cc(Cc3cccc(CN4CCN(CCCCl)CC4)c3)ccc2CO1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64599687
34047,O=c1c2ccccc2ccn1-c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62422776
34048,Oc1cccc2c1CN1CCc3cc(-c4nccs4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62440205
34049,Oc1cccc2c1CN1CCc3cc(F)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7798057
34050,Oc1cccc2c1CN1CCc3cc(Nc4cccc(Cl)c4Cl)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5341444
34051,C#Cc1ccccc1-c1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6378168
34052,CC(=O)c1ccc(C2CCN(CCOc3ccc(ON4CCCCC4)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.40318337
34053,CCCC1CCN(CCOc2ccc(OC)c(S(C)(=O)=O)c2)C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.300553
34054,CCCCN1CCN(Cc2cccc(CNC(=O)C3CCCCCC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.42328644
34055,CCCOc1ccc(OC)c(CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11238714
34056,CCCOc1ccc(OCN2CCN(C(C)=O)CC2)c(-c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1414614
34057,CCCOc1ccc(OF)c(CNCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15143053
34058,CCCOc1ccc(ON(C)S(C)(=O)=O)c(N2CCCCC2COc2ccc3c(c2)CCC(=O)N3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14942057
34059,CCCOc1ccc(ON2CCN(c3ccccc3OCC)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37427425
34060,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(Cc3ccc(CC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2676051
34061,CCCOc1ccc(OOC)c(N2CCC(c3cccc(C(F)(F)F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33985424
34062,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(Cc3ccc(F)c(F)c3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1979285
34063,CCCOc1ccc(OSC)c(N2CCC(Nc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30563584
34064,CCOC(=O)Nc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3783554
34065,CCc1ccc(OC2CCN(Cc3cc(OCCF)ccc3ONS(C)(=O)=O)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.3121985
34066,CN(C(=O)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)c1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40804535
34067,CNc1ccc(-c2cc3c(cc2O)C2Cc4cccc(C)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45027632
34068,COC1CCN(CCN2CCN(c3ccccc3-c3cccnc3-c3cccs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7421372
34069,COC1CCN(CCN2CCN(c3ccccc3C(O)c3ccc(O)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65320814
34070,COCCCN1CCN(Cc2cccc(-c3cccc4c3NC(=O)CO4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4352027
34071,COOc1ccc(OCCc2ccccc2OCCF)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.19713643
34072,COc1cc2c(cc1Cc1cccc3cccc(OC)c13)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76236504
34073,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccccc3CO)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65803623
34074,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71632516
34075,COc1cc2c(cc1OC)C1Cc3cccc(COCc4cccc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73709226
34076,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc(CO[O-])cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61836994
34077,COc1ccc(-c2cc3c(cc2O)CCN2Cc4c(O)cccc4CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79305726
34078,COc1ccc(COc2cc3c(cc2OC)C2Cc4cccc(-c5cccc(C#N)c5)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5495651
34079,COc1ccc(COc2cc3c(cc2OC)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75607127
34080,COc1ccc(OCCCNC(=O)c2ccc3c(c2)NC(=O)CC3)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.15053812
34081,COc1ccc(OCCCl)cc1CN1CCN(CC(=O)c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.37370694
34082,COc1ccc(OCCN2CCC(C)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.545311
34083,COc1ccc(OCCN=S(C)(=O)O)cc1CCCc1ccc2c(c1)CNC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.22417255
34084,COc1ccc2c(c1)CCCN(c1ccccc1N1CCN(CCN3CCC(OC)CC3)CC1)C2=O,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6588778
34085,COc1ccccc1-c1cc(C(=O)NCCN2CCN(O)CC2)ccc1C(C)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35525024
34086,COc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4cnccn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87903064
34087,COc1ccccc1N1CCN(CCN2CCC(n3cccc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85213685
34088,CSOc1ccc(OCCN2Cc3ccccc3CC(C)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.47596195
34089,CSc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccc(F)cc4)ccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7807972
34090,Cc1cc(OCCN2CCC(Oc3ccc(CCCF)cc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.4780902
34091,Cc1cc(OCCNCc2cc3ccccc3s2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.075569406
34092,Cc1ccccc1N1CCN(CCN2CCC(c3ccncn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.62238276
34093,O=C1C(=O)N(CCCCN2CCN(Cc3cccc(Cl)c3)CC2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.71945775
34094,O=[N+]([O-])c1cccc(CN2CCN(CCCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60036176
34095,O=[N+]([O-])c1cccc(Cc2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4417947
34096,O=[N+]([O-])c1ccccc1N1CCN(CCN2CCC(c3ccncn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.50335073
34097,O=c1c2ccccc2nc(O)n1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6384784
34098,O=c1ccc(C(F)(F)F)cn1C1CCN(CCN2CCN(c3ccccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7748651
34099,OC=CNc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5804013
34100,OCc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6582288
34101,Oc1ccn(C2CCN(CCN3CCN(c4ccccc4F)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7124947
34102,CC1CCN(CCN2CCN(c3ccccc3-n3cc(-c4ccccc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7505997
34103,CCCCN1CCN(Cc2cccc(CNC(=O)C3CC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.44427392
34104,CCCOc1ccc(OC)c(CN2CCC(C(=O)c3ccc(SC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40149754
34105,CCCOc1ccc(ON2CCC(C(=O)Nc3ccc(F)c(F)c3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0976172
34106,CCCOc1ccc(ON2CCN(c3ccccc3OC)CC2)c(CC(=O)NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18290214
34107,CCCOc1ccc(ONC(c2ccc(F)cc2)C2CCNCC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31067547
34108,CCCOc1ccc(ONS(C)(=O)=O)c(CCOc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23171568
34109,CCCOc1ccc(ONS(C)(=O)=O)c(NC(=O)Cc2ccc(C3CCNCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04172363
34110,CCCOc1ccc(OOC)c(CN2CCN(c3cccc(C(F)(F)F)c3F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.80720985
34111,CCCOc1ccc(OOC)c(N2CCC(C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33833706
34112,CCCOc1ccc(OS(C)(=O)=O)c(CCc2ccc(OC3CCCCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19069123
34113,CCCOc1ccc(OS(C)(=O)=O)c(OCC2CCCc3ccc(C(C)=O)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19995137
34114,CN1CCN(CCNC(=O)c2ccc(Cl)c(-c3coc(O)n3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29680824
34115,COC(=O)C1Cc2ccccc2CC1c1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7756707
34116,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4cc(O)nc(O)c4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8038409
34117,COCCCN1CCN(Cc2cccc(-c3ccc(C4CCCCC4)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6262959
34118,COOc1ccc(OCCNCC2C(=O)CCc3ccc(S(C)(=O)=O)cc32)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.16551483
34119,COc1cc2c(cc1-c1c[nH]c3cccc(CO)c13)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6836477
34120,COc1cc2c(cc1-c1ccc(Br)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7283678
34121,COc1cc2c(cc1-c1ccc(O)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7806683
34122,COc1cc2c(cc1O)C1Cc3cccc(Sc4ccc(CO)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6809879
34123,COc1ccc(COc2cc3c(cc2C)CCN2Cc4c(O)cccc4CC32)c2ccccc12,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.707034
34124,COc1ccc(C[N+]c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7895559
34125,COc1ccc(OCCN2CCC(CCc3ccc(F)cc3)C2=O)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.34648615
34126,COc1ccc(OCCN2CCC(NC(=O)c3ccccc3C)C2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.47169858
34127,COc1ccc(OCCN2CCC(OC)CC2)cc1NS(=O)(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.5751887
34128,COc1ccc(OCCN=S(C)(=O)O)cc1N1C(=O)CCc2cc(CC3CCC3)ccc21,[*]CCOc1ccc(O[*])c([*])c1,0.16173322
34129,COc1ccc(OCCN=S(C)(=O)O)cc1NC(=O)Cc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.0069220667
34130,COc1ccc(OCCS(N)(=O)=O)cc1N1CCCC(CCc2ccc3c(c2)S(=O)(=O)CC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.29699612
34131,COc1ccc2c(c1)CCC(=O)N2c1ccccc1N1CCN(CCN2CCC(F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6816735
34132,COc1ccccc1-c1cccc2c1CN1CCc3cc(C)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5504157
34133,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3cn4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80046
34134,Cc1cc(OCCN2CCC(Cc3ccc(F)cc3)CC2)ccc1ONC=O,[*]CCOc1ccc(O[*])c([*])c1,0.58917564
34135,Cc1cc(OCCN2CCN(Cc3cccc(S(C)(=O)=O)c3)CC2)ccc1OF,[*]CCOc1ccc(O[*])c([*])c1,0.36262065
34136,Cc1cc(OCCN=S(C)(=O)O)ccc1OCCCc1ccc(C2CCCNC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.15855949
34137,Cc1ccc(-c2cc(C(=O)NCCN3CCN(Cl)CC3)ccc2Cl)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.15075864
34138,Cc1ccc(NCc2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.37508258
34139,ClC1CCN(CCN2CCN(c3ccccc3-n3cnc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5969984
34140,ClCCCN1CCN(Cc2cccc(-c3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.722744
34141,O=C(NC(=O)C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)c1ccccc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73698735
34142,O=C(NCc1cccc(Cl)c1)Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34733847
34143,O=[N+]([O-])c1cccc(-c2cc3c(cc2F)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41374084
34144,O=[N+]([O-])c1ccnc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4177941
34145,OC1CCN(CCN2CCN(c3ccccc3-c3cccnn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78316396
34146,OCc1ccc(COCc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7701724
34147,Oc1cc2c(cc1-c1cc(O)c3ccccc3c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73923093
34148,Oc1ccc2c(-c3cc4c(cc3Cl)C3Cc5cccc(O)c5CN3CC4)cccc2n1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54285735
34149,C=CCCOc1ccc(OC)c(CN2CCN(C(C)C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4229761
34150,CC1CC(=O)c2ccccc2N1c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49606892
34151,CC1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.805783
34152,CCCOc1ccc(OC)c(CCNC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.024618419
34153,CCCOc1ccc(OCN2CCN(c3cccc(C(C)=O)c3)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38747358
34154,CCCOc1ccc(OF)c(CN2CCC(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6090091
34155,CCCOc1ccc(OF)c(CNC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.024861768
34156,CCCOc1ccc(ON2CCN(C=O)CC2)c(CF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23964182
34157,CCCOc1ccc(ONS(C)(=O)=O)c(CCCc2ccc(OC3CCNCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19906642
34158,CCCOc1ccc(OS(C)(=O)=O)c(NCc2ccco2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04888702
34159,CCCOc1ccc(OSC)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.794584
34160,CCOc1ccccc1N1CCN(CCN2CCC(c3cnc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80794334
34161,COC(=O)c1cccc(CN2CCN(CCCc3ccc(C(F)(F)F)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.39424527
34162,COCCCN1CCN(Cc2cccc(N=CC3Nc4ccccc4C(=O)N3c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5566924
34163,COCCOc1ccc(OC)c(CN2CCC(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4460296
34164,COCc1ccccc1-c1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6219632
34165,COOc1ccc(OCCc2cccc(OC)c2OC)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.1368687
34166,COc1cc2c(cc1C=NO)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.747273
34167,COc1cc2c(cc1CCNC(C)=O)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45006973
34168,COc1cc2c(cc1Cc1ccccc1)CCN1Cc3c(C#Cc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.763744
34169,COc1cc2c(cc1O)C1Cc3cccc(CNCc4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57562125
34170,COc1cc2c(cc1O)C1Cc3cccc(Oc4ccc(C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70920134
34171,COc1cc2c(cc1O)CCN1Cc3c(cccc3CS(=O)(=O)c3ccc(C#N)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51895374
34172,COc1ccc(OCCN2CCC(C(=O)c3ccc(F)s3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.47659925
34173,COc1ccc(OCCN2CCC(c3ccc(F)cc3)CC2)cc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.8264143
34174,COc1ccc(OCCNC(=O)Cc2ccc3c(c2)CCCC3)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.048642118
34175,COc1ccc(OCCS(C)(=O)=O)cc1C(=O)Cc1ccc2c(c1)NC(=O)CC2C,[*]CCOc1ccc(O[*])c([*])c1,0.046145856
34176,COc1ccc(OCCS(C)(=O)=O)cc1NCc1csc2ccccc12,[*]CCOc1ccc(O[*])c([*])c1,0.079110414
34177,COc1ccc(OCCc2ccccc2OCCF)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.22789249
34178,COc1cccc(CCOc2ccc(OCCN3CCN(c4ccccc4OC)CC3)cc2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.79136056
34179,COc1cccc(CN2CCN(CCCC3(c4ccccc4)CCCC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7211369
34180,COc1cccc(OC(=O)c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5203261
34181,COc1cccc2c1CN1CCc3cc(NC(=O)NC4CCCCC4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.33677045
34182,COc1ccccc1CC1CCN(CCOc2ccc(ONS(C)(=O)=O)c(C)c2)C1C=O,[*]CCOc1ccc(O[*])c([*])c1,0.28567255
34183,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8340603
34184,COc1ccccc1N1CCN(CCN2CCC(Nc3ccc(-c4ccccc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84435093
34185,CSOc1ccc(OCCN2CCC(NC(=O)c3cccc(F)c3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.4572616
34186,Cc1cc(OCCN2CCC(C(=O)N3c4ccccc4CCC3C)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.46991134
34187,Cc1cc(OCCN2CCC(Oc3ccccc3)CC2)ccc1OF,[*]CCOc1ccc(O[*])c([*])c1,0.62216806
34188,Cc1cc(OCCNC(=O)c2ccc(F)cc2F)ccc1OCN1CCN(S(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.082636595
34189,Cc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(Oc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6833473
34190,Clc1ccccc1N1CCN(CCN2CCC(c3nccn3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80087477
34191,FC(F)(F)OCCCN1CCN(Cc2cccc(CNCc3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5895198
34192,NC(=O)CCCN1CCN(Cc2cccc(Cc3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64627486
34193,O=C(NCCCCN1CCN(Cc2cccc(Cl)c2)CC1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.73299325
34194,O=C(Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2)OCc1cccc(Cl)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3691491
34195,O=c1ccc(Cl)cn1C1CCN(CCN2CCN(c3ccccc3OC(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8143911
34196,OCc1cc2c(cc1Br)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6085125
34197,Oc1cc2c(cc1Cl)CCN1Cc3c(Br)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.80209386
34198,Oc1cc2c(cc1NCCc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4407266
34199,Oc1ccc2ccc(-c3cccc(CN4CCN(CCCCl)CC4)c3)cc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6376181
34200,Oc1cccc2c1CN1CCc3cc(C4CCCN4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6646948
34201,Oc1cccc2c1CN1CCc3cc(Cc4cccc(F)c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71582615
34202,CC1CC(=O)Nc2c(CCCN3CCN(Cc4cccc(F)c4)CC3)cccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5691337
34203,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(Cc3cccc4c3CCCCC4=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22239211
34204,CCCOc1ccc(OOC)c(CN2CCN(CC(C)Cc3ccc(F)cc3)C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2116838
34205,CCCOc1ccc(OOC)c(CNC(=O)c2cccc(N3CCNC3)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.117402814
34206,CCCOc1ccc(OOC)c(NCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.104658
34207,CCCOc1ccc(OS(C)(=O)=O)c(CNc2ccccc2OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05723741
34208,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(c3coc4cc(F)ccc34)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29742607
34209,CCNC(=O)c1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47482556
34210,CN1CCCC(c2cc(OCCNS(=O)(=O)c3ccc(F)cc3)ccc2ON)C1,[*]CCOc1ccc(O[*])c([*])c1,0.33369854
34211,COC1CCN(CCN2CCN(c3ccccc3-c3cc4cc(O)ccc4[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7377384
34212,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3cccs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7289869
34213,COC1CCN(CCN2CCN(c3ccccc3C3CC(=O)c4ccccc4N3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6979305
34214,COC1CCN(CCN2CCN(c3ccccc3CCc3cc4ccccc4nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71809554
34215,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4nc[nH]c4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.90670896
34216,COCCOc1ccc(OC)c(CN2CCC(c3ccccc3CCF)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.57019335
34217,COOc1ccc(OCCCN2CCN(c3ccccc3Cl)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.82567793
34218,COc1cc2c(cc1NC(=O)Cc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.22581543
34219,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(OC(F)(F)F)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7380741
34220,COc1cc2c(cc1[S+](=O)[O-])CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6892884
34221,COc1ccc(OCCC(=O)OC(C)C)cc1NC(=O)C1CCCN(Cc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.12511799
34222,COc1ccc(OCCC(N)=O)cc1Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.037638668
34223,COc1ccc(OCCCC(=O)c2cccs2)cc1N1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.30104363
34224,COc1ccc(OCCCCNC(=O)c2ccc(CCF)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.08568587
34225,COc1ccc(OCCCN)cc1NC(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.048864223
34226,COc1ccc(OCCCNC(=O)Cc2ccccc2)cc1NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.0268161
34227,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(CCc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.36364233
34228,COc1ccc(OCCNCc2ccccc2)cc1C=S(C)O,[*]CCOc1ccc(O[*])c([*])c1,0.27016592
34229,COc1ccc(OCCOS(C)(=O)=O)cc1N1CCC(Oc2ccc(CC3CCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2251876
34230,COc1ccc(OCCSC)cc1CNC(=O)c1ccc(CCN2CCCCC2)nc1,[*]CCOc1ccc(O[*])c([*])c1,0.18694673
34231,COc1ccc(OCCc2cccc(OCC(F)(F)F)c2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.13511607
34232,COc1cccc(-c2cccc3c2CN2CCc4cc(Cl)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5763415
34233,COc1cccc(CN2CCN(CCCCc3ccc4[nH]c(=O)n(-c5ccccc5)c(=O)c4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.633534
34234,COc1cccc(CN2CCN(CCCN3CC(=O)Nc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6510999
34235,COc1cccc2c1CN1CCc3cc(C)c(-c4ccc(CO)cc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63049173
34236,COc1ccccc1C1CCN(CCOc2ccc(ONS(=O)(=O)c3ccc(C(C)=O)cc3)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5240013
34237,CSOc1ccc(OCCN2CCC(OC(=O)c3ccc(SC)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.44758213
34238,C[N+](O)=Cc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74744695
34239,Cc1cc(C(=O)NCCN2CCN(O)CC2)ccc1-c1cccc([N+](=O)[O-])c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.19900116
34240,Cc1cc(OCCCF)ccc1OCN1CCN(c2cccc(C(F)(F)F)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5425333
34241,Cc1cc(OCCN2CCC(C(=O)OCc3ccc(F)cc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4040707
34242,Cc1cc(OCCN2CCC(C(=O)c3ccc(Cl)cc3)CC2)ccc1OS(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.46718132
34243,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCOC(c2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.124697745
34244,Cc1ccc2ccc(OC3CCN(CCN4CCN(c5ccccc5C)CC4)CC3)cc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66958547
34245,Fc1ccccc1C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8576984
34246,O=S(=O)(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1cccs1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5453161
34247,CC(=O)NC(=O)NCc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47101143
34248,CCCCNC(=O)c1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55020607
34249,CCCOc1ccc(OC)c(CN2CCN(C(=O)c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10082932
34250,CCCOc1ccc(ON2CCC(Cc3ccccc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.42349407
34251,CCCOc1ccc(ON2CCN(c3ccccc3C(F)(F)F)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34702083
34252,CCCOc1ccc(ON2CCN(c3ccccc3OCCF)CC2)c(NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22097312
34253,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(c3ccco3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27399787
34254,CCCOc1ccc(OS(C)(=O)=O)c(CNc2ccc3c(c2)CC(N(CC)CC)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.42839736
34255,CCCOc1ccc(OSC)c(OCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17619407
34256,CCOc1ccccc1N1CCN(CCN2CCC(c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8731242
34257,CCc1cccc2c1CN1CCc3cc(O)c(OC(C)=O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60224116
34258,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4nc(O)ccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7101442
34259,COCCCN1CCN(Cc2cccc(-c3ccc4c(c3)NC(=O)CO4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5647587
34260,COCCCN1CCN(Cc2cccc(CN3C(=O)COc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4388493
34261,COCc1cc2c(cc1O)C1Cc3cccc(OCCc4ccc(OC)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67382807
34262,COc1cc2c(cc1Cc1ccccc1)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7559106
34263,COc1cc2c(cc1Cc1ccco1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73146296
34264,COc1cc2c(cc1O)C1Cc3cccc(C(O)Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7076302
34265,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3ccc(OCc4ccccc4)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6508471
34266,COc1ccc(C(=O)NCCN2CCN(c3ccccn3)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.7121699
34267,COc1ccc(OCCC=O)cc1CN1CCC(c2cc(C)on2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.48008376
34268,COc1ccc(OCCCCCc2ccc3c(c2)CC(=O)CC3)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.24986047
34269,COc1ccc(OCCCCCc2cccs2)cc1NS(=O)(=O)c1ccccc1F,[*]CCOc1ccc(O[*])c([*])c1,0.074693464
34270,COc1ccc(OCCCCSc2ccccc2OC)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.111636564
34271,COc1ccc(OCCCNC(=O)c2ccccc2C)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.053728327
34272,COc1ccc(OCCF)cc1CN1CCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.90054584
34273,COc1ccc(OCCN2CCC(C(=O)c3cc4ccccc4o3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5270051
34274,COc1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1Br,[*]CCOc1ccc(O[*])c([*])c1,0.647456
34275,COc1ccc(OCCN2CCN(c3cccc(OCC(F)(F)F)c3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.8445868
34276,COc1cccc(CN2CCN(CCCC3=NS(=O)(=O)c4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5288535
34277,COc1cccc(CN2CCN(CCCc3ccc4c(c3)NC(=O)C(C)O4)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57666665
34278,COc1cccc2c1CN1CCc3cc(C#N)c(C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6543564
34279,COc1cccc2c1CN1CCc3cc(O)c(SC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72620505
34280,COc1ccccc1N1CCCN(c2cc(OCCS(C)(=O)=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.26824003
34281,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccnc(O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.88028586
34282,COc1ccccc1N1CCN(CCN2CCC(Oc3ccc(-c4ncc5ccccn45)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69672817
34283,Cc1cc(OCCCS(=O)(=O)c2ccc(F)c(F)c2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.051789243
34284,Cc1cc(OCCF)ccc1ONC(=O)c1ccc(S(=O)(=O)C2CCNCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06437115
34285,Cc1cc(OCCF)ccc1ONS(=O)(=O)c1ccccc1C,[*]CCOc1ccc(O[*])c([*])c1,0.07899044
34286,Cc1cc(OCCN2CCC(Cc3ccc4ccccc4c3)CC2)ccc1OS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.56204283
34287,FC(F)(F)c1ccccc1N1CCN(CCN2CCC(n3cccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73584807
34288,Fc1ccc(Oc2ccccc2N2CCN(CCN3CCC(C(F)(F)F)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.91063267
34289,O=C(Nc1cccc(CN2CCN(CCCCl)CC2)c1)C1c2ccccc2-c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.40281376
34290,O=Cc1ccc(Cc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6194816
34291,OCc1cc2c(cc1O)CCN1Cc3c(Cc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6060491
34292,Oc1cc2c(cc1Cc1cc[nH]c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72326684
34293,Oc1ccc(-c2ccccc2N2CCN(CCN3CCC(OCCF)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79420745
34294,Oc1cccc(CN2CCN(CCCc3nc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6781307
34295,Oc1ccccc1N1CCN(CCN2CCC(c3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7608422
34296,Oc1nc2ccc(Oc3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)cc2s1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67955005
34297,C=COc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8127256
34298,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8601094
34299,CCCNC(=O)Oc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51994556
34300,CCCOc1ccc(OOC)c(N2CCC(CCc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.46860552
34301,CCCOc1ccc(OOC)c(NCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09197596
34302,CCCOc1ccc(OS(C)(=O)=O)c(CC2CC(=O)c3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1851237
34303,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3nc4ccccc4s3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2498422
34304,CCCOc1ccc(OS(C)(=O)=O)c(Nc2ccccc2OCCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08649563
34305,CCCOc1ccc(OS(N)(=O)=O)c(CNCC2CCc3cc(OC)c(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.42145938
34306,CCCOc1ccc(OSC)c(NC2CCc3cc(OC)c(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4924689
34307,CCCOc1ccc(O[SH](C)(=O)O)c(NCc2ccc(OCC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04195521
34308,CCOc1cccc(CN2CCN(CCCc3cccc4ccccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57548225
34309,CCc1cc2c(cc1C)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66752946
34310,CCc1ccc(F)cc1C(=O)C1CCCN(CCOc2ccc(OC)c(OC)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5817968
34311,COC(=O)Cc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47230062
34312,COCCCN1CCN(Cc2cccc(N3C(=O)CN(c4ccccc4)C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5943499
34313,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(NC(C)=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32285562
34314,COc1cc2c(cc1OC)C1Cc3cccc(C(N)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5709284
34315,COc1ccc(C)cc1C(=O)NC1CCN(CCN2CCN(c3ccccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.842938
34316,COc1ccc(OCCC(C)=O)cc1CNC(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.016995408
34317,COc1ccc(OCCCS(N)(=O)=O)cc1N1CCC(Cc2ccc3c(c2)NC(=O)CCC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3447556
34318,COc1ccc(OCCN2CCC(C(=O)c3cccc(C(C)=O)c3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.4992912
34319,COc1ccc(OCCN2CCC(Cc3ccccc3)C2=O)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3300069
34320,COc1ccc(OCCN2CCC(NC(=O)c3ccccc3C)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.43078884
34321,COc1ccc(OCCN2CCC(Oc3ccc(CC(F)(F)F)cc3)CC2)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.56860495
34322,COc1ccc(OCCN2CCC(c3ccc(Cl)cc3)C2=O)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.29806453
34323,COc1ccc(OCCN2CCCC(Cc3ccc(OC4CCCCC4=O)cc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.31564727
34324,COc1ccc(OCCNCCc2ccc(F)cc2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.15262106
34325,COc1ccc(OCCNCc2ccccc2)cc1CS(=O)(=O)c1ccc(Cl)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.23305637
34326,COc1ccc(OCCOS(C)(=O)=O)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.066675074
34327,COc1ccc(OCCS(C)(=O)=O)cc1CC1CCC(Oc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.15338425
34328,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.28170717
34329,COc1cccc(CN2CCN(CCCCOc3ccc4ccc(O)nc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6691609
34330,COc1cccc(CN2CCN(CCCc3cccc(-c4cc5ccccc5s4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5930734
34331,COc1cccc(CN2CCN(CCOc3ccc(ONSC)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37758085
34332,COc1ccccc1N1CCCN(c2cc(OCCCl)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.37324515
34333,COc1ccccc1N1CCN(CCN2CCC(n3ncc(-c4ccccc4)c3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72264737
34334,COc1ccccc1N1CCN(CCNC(=O)c2ccc(C)c(O[O-])c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.8490206
34335,COc1ccccc1N1CCN(COc2ccc(OCCCF)cc2SC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.79514176
34336,Cc1cc(OCCCCOc2cccc(C(F)(F)F)c2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07222077
34337,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(c2ccccc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29107356
34338,Cc1cccc2c1CN1CCc3cc(N=CCO)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6165558
34339,Cc1ccccc1N1CCN(CCN2CCC(n3cc(F)nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6989445
34340,Cc1ccn(C2CCN(CCN3CCN(c4ccccc4C(C)C)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6966242
34341,Clc1cccc(CN2CCN(CCCCCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.78865826
34342,FCCOCCCN1CCN(Cc2cccc(COc3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62081385
34343,Fc1cccc(CN2CCN(CCCCNc3nccs3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6328381
34344,O=Cc1ccn(Cc2cccc(CN3CCN(CCCF)CC3)c2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63477546
34345,O=S(=O)(Nc1ccccc1)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.50262636
34346,O=c1c2ccccc2ncn1-c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6749697
34347,Oc1cc2c(cc1OCc1cccs1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63720405
34348,c1ccc(CCCN2CCN(Cc3cccc(Cc4cccs4)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6645852
34349,C#Cc1cccc(-c2cc3c(cc2O)C2Cc4cccc(C)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.561205
34350,C#Cc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.85040224
34351,CCCOc1ccc(OF)c(N(CCC)C2CCc3ccc(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6694841
34352,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(Nc3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.242826
34353,CCCOc1ccc(OOC)c(-c2ccccc2N2CCN(C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5392926
34354,CCCOc1ccc(OOC)c(CNS(=O)(=O)c2cc(OC)ccc2CF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09420917
34355,CCCOc1ccc(OOC)c(N2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40463492
34356,CCCOc1ccc(OOC)c(N2CCN(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3604798
34357,CCCOc1ccc(OS(C)(=O)=O)c(N2CCN(c3cccc(Cl)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34148
34358,CCCOc1ccc(OS(N)(=O)=O)c(C(F)Cc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09632866
34359,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(CCc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32869795
34360,CCOCCOc1ccc(OC(=O)Nc2ccccc2OC)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.008955012
34361,CN(C)C(=O)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41985902
34362,CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65314275
34363,COC(=O)N1CCC(CNCc2cc(OCCNC(=O)c3ccccc3)ccc2OC)C1,[*]CCOc1ccc(O[*])c([*])c1,0.11247072
34364,COCCCN1CCN(Cc2cccc(NC(=O)c3cc4cc(OC)ccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.27315572
34365,COOc1ccc(OCCCN2CCN(c3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.763667
34366,COc1cc2c(cc1Cl)CCN1Cc3c(F)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71413916
34367,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(SC)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7044142
34368,COc1cc2c(cc1OC)C1Cc3cccc(Cc4cccc(OC(C)=O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4318772
34369,COc1ccc(-c2cc3c(cc2OC)CCN2Cc4c(cccc4OCc4ccccc4)CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73607236
34370,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccccc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.41083282
34371,COc1ccc(C(=O)NCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.90584886
34372,COc1ccc(OCCCC(=O)c2ccc(SC)cc2)cc1N1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24062891
34373,COc1ccc(OCCN2CCC(NC(=O)c3ccc(F)c(F)c3)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.49242523
34374,COc1ccc(OCCN2CCC(c3ccc(F)cc3)CC2)cc1S(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.70675254
34375,COc1ccc(OCCN=S(C)(=O)O)cc1CNc1ccc(C2CCC(F)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.08937622
34376,COc1ccc(OCCNCCc2ccccc2)cc1CN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.3541181
34377,COc1ccc(OCCS(N)=O)cc1N1CCC(Oc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31403467
34378,COc1cccc2c1CN1CCc3cc(-c4cc(F)cc(F)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7459204
34379,COc1ccccc1N1CCN(CCN2CCC(c3cc(O)c4nc(O)ccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6883337
34380,CSOc1ccc(OCCNCc2ccc(OCC(F)(F)F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.20287165
34381,CSOc1ccc(OCCNCc2ccc(OCCF)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.17206722
34382,Cc1cc(OCCCF)ccc1OCN1CCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5169412
34383,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)ccc1ONC(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.46141684
34384,Cc1cc(OCCN2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.64765525
34385,Cc1cc(OCCNS(C)(=O)=O)ccc1OCCCc1ccc(C2CCNC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.17461269
34386,Cc1cc(OCCNS(C)(=O)=O)ccc1ONC(=O)Cc1ccc(C2CCCN(C)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.1071935
34387,ClC1CCN(CCN2CCN(c3ccccc3-c3ccccc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7990901
34388,Fc1ccc(-c2ccc(-c3ccccc3N3CCN(CCN4CCC(F)CC4)CC3)cc2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7466533
34389,N#Cc1ccc(COc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7107409
34390,O=C(NCCN1CCN(F)CC1)c1ccc(F)c(-c2cccc(Cl)c2)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.38766074
34391,O=C(NCc1cccc(CN2CCN(CCCF)CC2)c1)C1(c2ccccc2)CCOC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.35900944
34392,O=C(Nc1cccc(O)c1)c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3050154
34393,O=C(Oc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2)C(F)(F)F,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46889886
34394,O=C1CCCc2c(O)cccc2N1c1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6414305
34395,Oc1cc(-c2ccc(F)cc2)cn1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7283635
34396,Oc1cc2c(cc1-c1ccc(F)c(F)c1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67082226
34397,C#Cc1ccccc1N1CCN(CCN2CCC(c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.88518244
34398,CC(=O)OCCCN1CCN(Cc2cccc(Cc3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53284824
34399,CC1(C)c2ccccc2CN1C(=O)CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57208246
34400,CCCOc1ccc(OC)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07372944
34401,CCCOc1ccc(ON2CCC(c3ccc(OC)cc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4264556
34402,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCCC(COc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22464578
34403,CCCOc1ccc(ONC)c(N2CCCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2671907
34404,CCCOc1ccc(OOC)c(N2CCN(c3ccc(F)cc3CO)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28563824
34405,CCCOc1ccc(OOC)c(NC(=O)COc2ccccc2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.009161055
34406,CCOc1cc(OCCN2CCCC(Cc3ccc(F)cc3)C2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.5026541
34407,CCc1cc2c(cc1Oc1ccc(OC)cc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72954303
34408,CCc1ccccc1S(=O)(=O)C1CCN(CCOc2ccc(OC)c(OC)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7272935
34409,CN(C)Cc1cccc(-c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.649439
34410,COC(=O)c1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5413122
34411,COCC1CCCc2c(CNOc3ccc(OCCNS(C)(=O)=O)cc3C)cccc21,[*]CCOc1ccc(O[*])c([*])c1,0.17024828
34412,COCCOc1ccc(OC)c(N2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.47947735
34413,COCCOc1ccc(ONCCc2ccccc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.093362756
34414,COc1cc2c(cc1Cl)CCN1Cc3c(cccc3OCc3ccccc3C#N)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6800152
34415,COc1cc2c(cc1NC(=O)Nc1ccccc1C)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.33112046
34416,COc1cc2c(cc1O)C1Cc3cccc(C(O)c4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7728263
34417,COc1cc2c(cc1O)CCN1Cc3c(Cc4cccc(F)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7006955
34418,COc1cc2c(cc1OC)C1Cc3cccc(Oc4ccc(C(C)O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7207083
34419,COc1cc2c(cc1Oc1cccc(CO)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7009843
34420,COc1ccc(NC(=O)C2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68074876
34421,COc1ccc(OCCN=C[SH](C)(=O)O)cc1N1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.11126404
34422,COc1ccc(OCCNC(=O)c2cccc(C)c2)cc1N1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31370488
34423,COc1ccc(OCCNCc2ccccc2)cc1C=S(=O)(O)O,[*]CCOc1ccc(O[*])c([*])c1,0.2520484
34424,COc1ccc(OCCNS(C)(=O)=O)cc1C1CCC(Cc2ccc3c(c2)NC(=O)CCC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25940526
34425,COc1ccc(OCCNS(C)(=O)=O)cc1OC1CCN(Cc2ccc(SC)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.41328287
34426,COc1ccc(OCCS(C)(=O)=O)cc1C1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.15903652
34427,COc1ccc(OCCS(C)(=O)=O)cc1N1C(=O)CCc2ccc(CCC3CCCCC3)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.2121267
34428,COc1ccc2c(c1)N(CCOc1ccc(OS(C)(=O)=O)c(C)c1)CC(Cc1ccc(F)cc1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.31320933
34429,COc1cccc(COc2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70594656
34430,COc1ccccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1NC(C)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.24688227
34431,COc1ccccc1N1CCN(CCN2CCC(Oc3ccc4cccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8914563
34432,COc1ccccc1N1CCN(Oc2ccc(OCCCS(N)(=O)=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21887669
34433,COc1ccccc1NCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.41707543
34434,Cc1cc(OCCF)ccc1ONS(=O)(=O)c1ccc(CC(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.036653277
34435,Cc1cc(OCCNC(=O)CCc2ccc(F)cc2)ccc1ON1CCNC1,[*]CCOc1ccc(O[*])c([*])c1,0.053277817
34436,Cc1cc(OCCNCCc2ccc3sccc3c2)ccc1ON=S(C)(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.11714942
34437,Cc1cccc(C2CCN(CCN3CCN(c4ccccc4O)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6636451
34438,Cc1ccccc1-c1cc(C(=O)NCCN2CCN(C)CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2799195
34439,FC(F)(F)CCCN1CCN(Cc2cccc(-c3cc4ccccc4s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6223353
34440,FC(F)(F)CCCN1CCN(Cc2cccc(Cc3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.631019
34441,Fc1ccccc1C1CCN(CCN2CCN(c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7598894
34442,N#Cc1cc2c(cc1C#N)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7984396
34443,O=C1C(=O)N(Cc2cccc(CN3CCN(CCCC(F)(F)F)CC3)c2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5136584
34444,O=S(=O)(CCCN1CCN(Cc2cccc(Cl)c2)CC1)c1ccc2sccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5720507
34445,OCc1ccc(-c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1Cl,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51907486
34446,Oc1cc2c(cc1O)C1Cc3cccc(C(F)CCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7014064
34447,CC(=O)c1ccc(N2CCN(CCOc3ccc(OOS(C)(=O)=O)c(C)c3)CC2)cc1C(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.4834589
34448,CC(C)c1ccccc1N1CCN(CCN2CCC(n3c(O)nc(-c4ccccc4)c3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76419836
34449,CC1CCN(CCN2CCN(c3ccccc3-c3cc4ccccc4n3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6386347
34450,CCCNOc1ccc(OCCC)cc1CNC(=O)c1ccccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.026306879
34451,CCCOc1ccc(OCN)c(CNc2ccc(C(C)=O)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.043996774
34452,CCCOc1ccc(OF)c(N2CCN(CC(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29443508
34453,CCCOc1ccc(ON2CCCN(c3ccccc3OCC)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32233897
34454,CCCOc1ccc(ON2CCN(Cc3cccc(F)c3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5364413
34455,CCCOc1ccc(OOC)c(N2CCN(C(=O)Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.091854535
34456,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3975133
34457,CCCOc1ccc(OS(C)(=O)=O)c(NCC2CCc3ccc(OCC4CCC4)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3284186
34458,CCCOc1ccc(OS(N)(=O)=O)c(NC(=O)Cc2ccc3c(c2)CCN(C)C3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12979515
34459,CCN1CCN(Oc2ccc(OCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3125667
34460,CCNC(=O)Nc1cccc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.27090788
34461,CCOc1ccccc1N1CCN(CCN2CCC(n3cc(C)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80712193
34462,COC(=O)N1c2ccccc2CC1C(=O)CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6357816
34463,COC(=O)c1cccc(Cc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49246708
34464,COCCOc1ccc(ON2CCC(NC(=O)c3ccc(F)cc3)C2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11488744
34465,COOc1ccc(OCCNC(=O)Cc2ccc3ccccc3c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.017582476
34466,COc1cc2c(cc1-c1cccc(C#Cc3ccccc3)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6371524
34467,COc1ccc(OCCC(=O)Cc2ccc3c(c2)NC(=O)CC3)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.18019034
34468,COc1ccc(OCCC(C)Cc2ccc3c(c2)NC(=O)CC3)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.21787664
34469,COc1ccc(OCCCC2CCc3ccc(OCC4CCC(=O)C4)cc3N2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.31495762
34470,COc1ccc(OCCCN2CCN(c3ccccc3OCCF)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.9016106
34471,COc1ccc(OCCCc2ccc(C(C)=O)cc2)cc1CN1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2898713
34472,COc1ccc(OCCF)cc1CN1CCC(S(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.48837492
34473,COc1ccc(OCCN2CCN(c3ccccc3C(C)=O)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.71192443
34474,COc1ccc(OCCNS(=O)(=O)c2cc(F)ccc2OC)cc1NC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.01767877
34475,COc1ccc(OCCOS(C)(=O)=O)cc1CN1CCC(C(=O)c2ccc(SC)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.33036888
34476,COc1ccc(OCCc2ccccc2OC)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.21120602
34477,COc1cccc(CN2CCN(CCCc3ccccc3S(C)(=O)=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5549513
34478,COc1cccc(CNCCOc2ccc(ON=S(C)(=O)O)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10460198
34479,COc1cccc2c1CN1CCc3cc(-c4cccc5cccc(OC)c45)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68665636
34480,COc1ccccc1N1CCN(CCN2CCC(CNS(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8162892
34481,COc1ccccc1N1CCN(COc2ccc(OCCCOc3ccc(F)cc3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6578484
34482,COc1ccccc1N1CCN(c2cc(OCCF)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.39877963
34483,COc1ccccc1NCc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42043686
34484,CS(=O)(=O)c1ccccc1CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49422616
34485,CSCc1ccc(OCC(=O)NCCOc2ccc(OS(C)(=O)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.014802186
34486,Cc1cc(OCCF)ccc1ONS(=O)(=O)c1ccc(CC(F)(F)F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.037149157
34487,Cc1cc(OCCNCC2C(=O)CCc3ccc(CC(=O)O)cc32)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10470147
34488,Cc1cc(OCCNCc2ccc(OC3CCCCC3)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.15215844
34489,Cc1cc(OCCNS(=O)(=O)c2ccccc2OCC(F)(F)F)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.102368906
34490,Cc1cccc2c1N(c1cccc(CN3CCN(CCCF)CC3)c1)C(=O)CC2,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7504285
34491,Fc1ccc(-c2cc(-c3cccc(CN4CCN(CCCCl)CC4)c3)on2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60599804
34492,N#C[N+](=O)c1cccc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5725214
34493,N#Cc1cccc(CNC(=O)c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.475186
34494,O=c1ccc2ccccc2n1-c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64563346
34495,O=c1ccccn1CCCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6874427
34496,C=Cc1ccc(-c2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6703343
34497,CC(=O)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4141157
34498,CCCCc1cc(CCc2cc(OCCS(C)(=O)=O)ccc2OC)ccc1OC1CCNC1,[*]CCOc1ccc(O[*])c([*])c1,0.2092757
34499,CCCOCCOc1ccc(OCN2CCN(c3ccccc3OC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6708226
34500,CCCOc1ccc(ON2CCC(NC(=O)c3ccc(F)cc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15489267
34501,CCCOc1ccc(ON2CCC(c3ccccc3OC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3802992
34502,CCCOc1ccc(ON=S(C)(=O)O)c(CNC(=O)c2ccc(-c3ccccc3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.055935953
34503,CCCOc1ccc(ONCC2CCc3ccccc3C2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.50344807
34504,CCCOc1ccc(OOC)c(N2CCC(C(=O)c3ccc(F)s3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21128581
34505,CCCOc1ccc(OOC)c(N2CCN(c3ccccc3OCC(F)(F)F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.43764645
34506,CCCc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7474194
34507,CCNC(=O)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47265854
34508,CCOCCCN1CCN(Cc2cccc(-c3ccc4cccccc3-4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6449107
34509,CCOc1ccccc1N1CCN(Oc2ccc(OCCN)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31338826
34510,CN(C)c1cc2c(cc1-c1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7263921
34511,CNC(=O)CCOc1ccc(OC)c(N2CCCC(Cc3ccc(OC4CCCNC4)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16941425
34512,COC1CCN(CCN2CCN(c3ccccc3C(=O)C3CCc4ccc(O)cc4O3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6106203
34513,COCCOc1ccc(OCCCSc2ccccc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15177193
34514,COOc1ccc(OCCN2CCCN(c3ccc(Cl)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6937428
34515,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc(N5CCCC(=O)C5)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5533031
34516,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc([N+](=O)[O-])cc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57742095
34517,COc1ccc(C(=O)NCCN2CCN(O)CC2)cc1-c1cccc([N+](=O)[O-])c1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.20765704
34518,COc1ccc(C(=O)Nc2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36183572
34519,COc1ccc(COc2cc3c(cc2O)C2Cc4cccc(OCc5ccccc5)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64006734
34520,COc1ccc(Cc2cc3c(cc2C)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6332654
34521,COc1ccc(OCCC(C)=O)cc1CN1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.49992442
34522,COc1ccc(OCCF)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.071440674
34523,COc1ccc(OCCNC(=O)CCc2ccccc2)cc1CN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.09723106
34524,COc1ccc(OCCS(N)(=O)=O)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.060766056
34525,COc1cccc(C(=O)NC2CCN(CCN3CCN(c4ccccc4OC(C)C)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8817617
34526,COc1cccc(C(O)c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79510695
34527,COc1ccccc1CC1CCN(CCOc2ccc(OOS)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.62984514
34528,COc1ccccc1N1CCN(CCN2CCC(c3csc(-c4ccc(F)cc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8139098
34529,COc1ccccc1NC1CCN(CCN2CCN(c3ccccc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.45072773
34530,CSOc1ccc(OCCN2CCC(Cc3ccc4c(c3)CCC(=O)N4)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5125359
34531,CSc1cc(OCCF)ccc1OCC1(C(=O)F)CCN(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4096152
34532,Cc1cc(OCCF)ccc1OCN1CCC(C(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4513046
34533,Cc1cc(OCCN2CCC(Cc3ccc(S(C)(=O)=O)cc3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.5229122
34534,Cc1cc(OCCNCC2C(=O)CCc3ccccc32)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.16112827
34535,Cc1cc(OCCNS(=O)(=O)c2ccc(F)c(Cl)c2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.050881498
34536,FCCCN1CCN(Cc2cccc(-c3cc4ccccc4s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72168875
34537,FCCCN1CCN(Cc2cccc(Sc3ccc(F)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.75484693
34538,N#Cc1ccccc1N1CCN(CCN2CCC(c3ccc(F)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82858187
34539,NS(=O)(=O)c1ccc(-c2cccc(CN3CCN(CCCCl)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55030715
34540,O=C1NCC1(c1ccccc1)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64326876
34541,O=CCN(Cc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1)C1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67456234
34542,O=S1(=O)Cc2ccccc2N1Cc1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7643934
34543,Oc1cn(Cc2cccc(CN3CCN(CCCOCCF)CC3)c2)c2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59997207
34544,C=Cc1ccccc1OC1CCN(Oc2ccc(OCCNS(C)(=O)=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24560754
34545,CC(=O)NOc1ccc(OCCNC(=O)COc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.05368046
34546,CC1(C(=O)NCCCCN2CCN(Cc3cccc(Cl)c3)CC2)CCNC1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5261849
34547,CCCN1CCN(CCOc2ccc(OOC)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.46173456
34548,CCCOc1ccc(OC(N)=O)c(N2CCC(Oc3ccccc3CC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16319302
34549,CCCOc1ccc(OCN2CCN(C(=O)OCC)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09627367
34550,CCCOc1ccc(OOC)c(N2CCC(Nc3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3437318
34551,CCCOc1ccc(OS(C)(=O)=O)c(NC(C)Cc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09090617
34552,CCCc1ccc(OC2CCN(CCOc3ccc(OSC)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.57983893
34553,CCOC1CCN(CCN2CCN(c3ccccc3-n3c(O)nc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69510263
34554,CCOc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cnn4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75751156
34555,CCOc1ccccc1Oc1ccc(OCCOC)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.10722248
34556,CN1CCN(CCNC(=O)c2ccc(O)c(-c3ccccc3N)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35315308
34557,COC(=O)c1cccc(C2CCN(CCCOc3ccc(OS(C)(=O)=O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5877212
34558,COC1CCN(CCN2CCN(c3ccccc3Cc3ccc4nccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73200303
34559,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccc4c(c3)C(=O)c3ccccc3-4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.42972097
34560,COCCCN1CCN(Cc2cccc(-c3csc4ccccc4c3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5346683
34561,COCCOc1ccc(OC)c(C2CCC(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24386229
34562,COOc1ccc(OCCF)cc1CCN1CCCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.89246553
34563,COc1cc(C(=O)NCCN2CCN(C)CC2)ccc1-c1ccccc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.24848
34564,COc1cc2c(cc1C(=O)Nc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.383025
34565,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(C=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70416266
34566,COc1cc2c(cc1O)CCN1Cc3c(C=CNCc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61714643
34567,COc1cc2c(cc1O)CCN1Cc3c(cccc3NC(=O)C3CC3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3282212
34568,COc1ccc(CC2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7482267
34569,COc1ccc(OCCC(C)=O)cc1CCCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.062111616
34570,COc1ccc(OCCC(C)=O)cc1CN1CCC(c2occc2F)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.41146153
34571,COc1ccc(OCCC=O)cc1N1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.34067842
34572,COc1ccc(OCCCNS(C)(=O)=O)cc1N1CCC(COc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.34367737
34573,COc1ccc(OCCF)cc1CN1CCN(C=[SH](=O)CSC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.39112133
34574,COc1ccc(OCCN2CCCCC2c2ccccc2)cc1O,[*]CCOc1ccc(O[*])c([*])c1,0.4048854
34575,COc1ccc(OCCN2CCN(c3ccccc3F)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.68436253
34576,COc1ccc(OCCS(C)(=O)=O)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.07912893
34577,COc1ccc(OCCS(C)(=O)=O)cc1CSCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.101858616
34578,COc1ccc(OCCSC)cc1N1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3769212
34579,COc1cccc(CN2CCN(CCCS(=O)(=O)c3ccc4ccccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5124379
34580,COc1cccc(CNC(=O)C2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)c1OC,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5710135
34581,COc1ccccc1CCc1cc(OCCNS(C)(=O)=O)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.14361914
34582,COc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3ccc(-c4ccccc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8536449
34583,COc1ccccc1N1CCN(CCN2CCC(c3ccccc3-c3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83734524
34584,COc1ccccc1N1CCN(COc2ccc(OCCF)cc2C(C)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7762893
34585,CSc1ccc(CC2CCN(CCOc3ccc(ON=S(C)(=O)O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.5187592
34586,Cc1cc(OCCN2CCCC(Cc3ccc(OC4CCCCS4)cc3)C2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.44029355
34587,Cc1cc(OCCNC(=O)COc2cccc(F)c2)ccc1OCN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.07345819
34588,Cc1cc(OCCOS(C)(=O)=O)ccc1ON1CCC(CCc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21467564
34589,Cc1cc(OCCOS(C)(=O)=O)ccc1ONCc1ccc(OC2CCNCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.12759027
34590,Cc1ccc(CC2CCN(Cc3cc(OCCF)ccc3ONS(C)(=O)=O)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.3102132
34591,ClCCCN1CCN(Cc2cccc(CNc3ccco3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48059207
34592,N#Cc1cccc2c1CN1CCc3cc(OCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7199415
34593,OCc1ncccc1-c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6933787
34594,CC(=O)CCCN1CCN(Cc2cccc(CNC(=O)c3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4926752
34595,CCCCOc1ccc(OOC)c(N2CC=C(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.45746222
34596,CCCOc1ccc(OC)c(CN2CCN(C[SH]=O)C(Cc3ccc(C(=O)NC)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16175956
34597,CCCOc1ccc(OC)c(CNc2cc(C(=O)NCS(C)(=O)=O)ccc2Cl)c1,[*]CCOc1ccc(O[*])c([*])c1,0.024651041
34598,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCCC(Cc3ccc(CC4CCC(=O)CC4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15369295
34599,CCCOc1ccc(OOC)c(CN2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7109728
34600,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(NCc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31339997
34601,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(C3CCc4ccccc4C3=O)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2920597
34602,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(Cc3ccc(OC4CCCCC4=O)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.121879175
34603,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)Cc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0090146605
34604,CCOCCCN1CCN(Cc2cccc(-c3ccc4nc(S)[nH]c4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5854179
34605,CCOc1cccc2c1CN1CCc3cc(O)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6795522
34606,CN(C)c1ccc(Cc2cccc3c2CN2CCc4cc(CO)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6975792
34607,CNCc1ccc(-c2cc3c(cc2OC)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6591778
34608,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3nc4ccccc4s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.47132435
34609,COC1CCN(CCN2CCN(c3ccccc3NC(=O)OCc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.44776455
34610,COOc1ccc(OCCNCCc2cccs2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.17588103
34611,COOc1ccc(OCCc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.13127394
34612,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc(CO)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66711104
34613,COc1cc2c(cc1OC)C1Cc3cccc(Cc4cccc(C(F)(F)F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69808483
34614,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(cccc3N3CCCCC3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42323184
34615,COc1ccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2Cl)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.281452
34616,COc1ccc(OCCC(=O)COc2ccccc2)cc1CCN1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.39213705
34617,COc1ccc(OCCC(N)=O)cc1N1CCC(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23557074
34618,COc1ccc(OCCN2CCC(Oc3ccc(Br)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.60968465
34619,COc1ccc(OCCNS(=O)(=O)c2cc(F)ccc2F)cc1C(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.084511645
34620,COc1ccc2c(c1)CC(CNCCOc1ccc(OOS(C)(=O)=O)c(C)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.2503216
34621,COc1cccc(CN2CCN(CCCCc3ccc4c(c3)OCC(=O)N4)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7014292
34622,COc1cccc(CN2CCN(CCCc3ccc(C=Cc4ccco4)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56721497
34623,COc1cccc2c1CN1CCc3cc(Cc4ccc(C(F)(F)F)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6823227
34624,COc1cccc2c1CN1CCc3cc(NC(=O)Nc4ccc(Cl)cc4Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36022478
34625,COc1ccccc1N1CCN(CCN2CCC(C(=O)OC(C)(C)C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.829453
34626,COc1ccccc1N1CCN(CCN2CCC(CSc3cc(O)nc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69075584
34627,COc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3cc(O)nc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6628073
34628,COc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3ccc(O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68137306
34629,Cc1cc(OCCCc2ccc(S(C)(=O)=O)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.053388637
34630,Cc1cc(OCCN2CCN(Cc3ccc(F)c(S(C)(=O)=O)c3)CC2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3748299
34631,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)CCN(Cc2ccccc2)CC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.18424027
34632,ClCCCN1CCN(Cc2cccc(-c3ccccc3-c3cccs3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67342234
34633,O=C(NCCCCN1CCN(Cc2cccc(OCCF)c2)CC1)c1cc2ccccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5971012
34634,O=C(NCc1ccccc1)c1cccc2c1CN1CCc3cc(O)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5730836
34635,O=C(Nc1cccc(CN2CCN(CCCF)CC2)c1)C1CCCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.365213
34636,O=C(c1cccc(CCCN2CCN(Cc3cccc(Cl)c3)CC2)c1)N1Cc2ccccc2C1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5591361
34637,O=C1c2ccccc2CS(=O)(=O)N1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.71336305
34638,OCC1CCN(CCN2CCN(c3ccccc3-n3cc4ccccc4c3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6638599
34639,Oc1cccc(CCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67176497
34640,[O-]C1CCN(CCN2CCN(c3ccccc3-n3ccc(O)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74073505
34641,CC1CCN(CCN2CCN(c3ccccc3NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.46815318
34642,CCC(c1ccc(F)cc1)N1CCN(Oc2ccc(OCCOC)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25896427
34643,CCCOc1ccc(OCN2CCCN(c3ccc(F)cc3)CC2)c(NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.235342
34644,CCCOc1ccc(OCNc2ccccc2OCC)c(OC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.014761142
34645,CCCOc1ccc(ON2CCN(c3ccccc3OC)CC2)c(N)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40193453
34646,CCCOc1ccc(ON2CCN(c3ccccc3OCC)CC2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3148752
34647,CCCOc1ccc(ON=S(C)(=O)O)c(N2C(=O)CCc3ccc(CC4CCC4)cc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21038559
34648,CCCOc1ccc(ONCCc2cccc3nc(C)c(F)cc23)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06770321
34649,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCc3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23864765
34650,CCCOc1ccc(OSC)c(CN2CCN(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7570142
34651,CCCOc1ccc(O[N+](=O)[O-])c(N2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17953455
34652,CCCSC1CCc2cc(CC(=O)NCCOc3ccc(OS(=O)(=O)NC)c(C)c3)ccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.12184645
34653,CCCc1ccc(C(=O)NOc2ccc(OCCOC)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.025369594
34654,CNCCOc1ccc(ON2CCCC(Cc3ccccc3)C2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29642734
34655,COC(=O)CCOc1ccc(OC)c(CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.435955
34656,COC(=O)N1C=CN(CCCOc2ccc(OC)c(F)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.16784295
34657,COC(=O)NCc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48204902
34658,COC1CCN(CCN2CCN(c3ccccc3-c3ncc(-c4ccc(F)cc4)o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70701504
34659,COCCOc1ccc(OC)c(N2CCCN(c3cccc(F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33628607
34660,COCCOc1ccc(OC)c(NC2CCC(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21251987
34661,COCCOc1ccc(OC)c(NCC2CCc3ccc(S(C)(=O)=O)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26843023
34662,COOc1ccc(OCCN2CCCC(c3ccccc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.52213913
34663,COc1cc2c(cc1CO)CCN1Cc3c(cccc3N(C)C)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7896221
34664,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7191218
34665,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc(C(C)(C)O)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6726766
34666,COc1cc2c(cc1OC)C1Cc3cccc(CNC(=O)Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.27123094
34667,COc1ccc(OCCC(C)=O)cc1NCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.03016208
34668,COc1ccc(OCCF)cc1N1CCN(C(C)C=Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.38309172
34669,COc1ccc(OCCN2CCC(NS(=O)(=O)c3cccc(Cl)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.7338284
34670,COc1ccc(OCCN2CCC(Sc3ccccc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.6309057
34671,COc1ccc(OCCN2Cc3ccccc3CC(C)C2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.43078238
34672,COc1ccc(OCCN=S(C)(=O)O)cc1C1CC(=O)Nc2cc(OCC3CCCCC3)ccc21,[*]CCOc1ccc(O[*])c([*])c1,0.09356302
34673,COc1cccc(CN2CCN(CCCCCN3c4ccccc4CS3(=O)=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.75161076
34674,CSOc1ccc(OCCCN2CCCC(Cc3ccc(F)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5565532
34675,CSc1cc(C(=O)NCCOc2ccc(ON=S(C)(=O)O)c(C)c2)ccc1F,[*]CCOc1ccc(O[*])c([*])c1,0.024235504
34676,Cc1cc(OCCF)ccc1ONS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.05908293
34677,Cc1ccc(CC(=O)NC2CCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.2081181
34678,Cc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccc4)c(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.63254964
34679,Cc1ccccc1OC1CCN(Oc2ccc(OCCNS(C)(=O)=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22362225
34680,FC(F)(F)CCCN1CCN(Cc2cccc(CNc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.42869878
34681,O=C(Nc1ccccn1)C1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.59778696
34682,O=S(=O)(NOc1ccc(OCCF)cc1C1CCNCC1)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.17784572
34683,O=[N+]([O-])c1cccc(Cc2cc3c(cc2CO)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46443576
34684,O=c1ccc2ccccc2c(=O)n1CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5349611
34685,OC(=Cc1ccccc1)Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4710882
34686,OCc1cccc2c1CN1CCc3cc(OCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7463391
34687,[O-][N+](O)=Cc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5616543
34688,CC(=O)OC1CCN(CCN2CCN(c3ccccc3-c3ccc(O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70575976
34689,CC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6748278
34690,CCCOc1ccc(OCCOc2ccc(CC)cc2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0748622
34691,CCCOc1ccc(OCNS(C)(=O)=O)c(N2CCCC(Cc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18684092
34692,CCCOc1ccc(ON=S(C)(=O)O)c(NCCC2CCc3ccccc3C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19849266
34693,CCCOc1ccc(ONS(C)(=O)=O)c(CCCc2ccccc2OC2CCNC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2501386
34694,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(C)(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18379775
34695,CCCOc1ccc(OS(C)(=O)=O)c(NCCC2CCC(=O)Nc3cccc(c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19339654
34696,CCCOc1ccc(OSC)c(N2CCCN(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24721007
34697,CCCOc1ccc(OSC)c(N2CCc3ccc(CC4CCCCC4)c(S(C)(=O)=O)c3CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35546345
34698,CCCOc1ccc(O[SH](C)(C)=O)c(N2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31793636
34699,CCc1ccccc1OC1CCN(CCOc2ccc(ON)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.60035217
34700,CNc1cccc2c1CN1CCc3cc(OCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46796137
34701,COC1CCN(CCN2CCN(c3ccccc3Cn3cc(-c4ccccc4)nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7247607
34702,COCCCN1CCN(Cc2cccc(O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58055824
34703,COCCOc1ccc(ON2CCCC(CCc3ccccc3)C2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3660375
34704,CON1CCN(CCNC(=O)c2ccc(O)c(-c3cccc(O)c3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35398227
34705,CON1CCN(CCNC(=O)c2ccc(OC(C)=O)c(-c3ccccc3C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29195908
34706,COOc1ccc(OCCN2CCC(Cc3ccc4ccccc4c3)NC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5176813
34707,COc1cc(C)ccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.17874013
34708,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(OC)c3ccc(CO)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7558764
34709,COc1cc2c(cc1OC)C1Cc3cccc(-c4cccc(C=O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6858954
34710,COc1cc2c(cc1OC)C1Cc3cccc(CNCc4ccccc4C#N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.622186
34711,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(COc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7188404
34712,COc1ccc(OCCC2CCCN(Cc3ccccc3)C2)cc1OS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.4858729
34713,COc1ccc(OCCF)cc1CN=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.06312464
34714,COc1ccc(OCCN=S(C)(=O)O)cc1C(C)COc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.054117173
34715,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCC(COC(=O)c2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.17275953
34716,COc1ccc(OCCS(C)(=O)=O)cc1N1C(=O)CCC(CCc2ccc3c(c2)CCCC3)C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.23945835
34717,COc1cccc(COc2cc3c(cc2OC)CCN2Cc4c(cccc4OCc4ccccc4)CC32)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6685657
34718,COc1cccc2c1CN1CCc3cc(-c4cccs4)c(C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66650826
34719,COc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3cnn4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8205549
34720,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cccc(F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9123365
34721,COc1ccccc1N1CCN(CCN2CCC(NC(c3ccccc3)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.770925
34722,COc1ccccc1N1CCN(CCN2CCC(c3ccc4ccc(C#N)cc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8138684
34723,COc1ccccc1NC(=O)Nc1cc(OCCC(=O)COc2ccccc2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.009984914
34724,COc1ccccc1NC1CCN(CCOc2ccc(OSC)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5317873
34725,Cc1cc(OCCCCCCc2ccc(F)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07285638
34726,Cc1cc(OCCCOC2CCN(Cc3ccc(F)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.45691106
34727,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(Cc2ccc3c(c2)CC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28267667
34728,ClCCCN1CCN(Cc2cccc(-c3ccco3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58520395
34729,Clc1cccc(CN2CCN(CCCC3CCC(Nc4ccccn4)CC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6396992
34730,Clc1cccc(CN2CCN(CCCc3cccs3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69292444
34731,Fc1ccnc(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.832216
34732,Fc1cn(C2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)c2ccccc12,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76244193
34733,N#Cc1cccc(NC(=O)c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.37903664
34734,O=C(C=Cc1ccncc1)NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70979184
34735,O=C(Nc1cccc(CN2CCN(CCCF)CC2)c1)c1cccs1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.30482516
34736,O=C1CC(=O)N(c2cccc(CN3CCN(CCCCl)CC3)c2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65006775
34737,Oc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(OC(F)(F)F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72803473
34738,C=Cc1cccc(-c2cccc(CN3CCN(CCCCl)CC3)c2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6983796
34739,CC1CCN(CCN2CCN(c3ccccc3Oc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8131152
34740,CCCOc1ccc(OCl)c(NS(=O)(=O)c2cc(C(C)C)ccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07021321
34741,CCCOc1ccc(ON2CCN(c3ccc(Cl)cc3)CC2)c(COCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29995444
34742,CCCOc1ccc(ONCCc2ccc(F)cc2)c(N=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07293785
34743,CCCOc1ccc(ONS(C)(=O)=O)c(CSCc2ccc(OCC(F)(F)F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0687392
34744,CCCOc1ccc(OOC)c(NC2CCN(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.55711
34745,CCCOc1ccc(OS(C)(=O)=O)c(N2Cc3ccccc3CC2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24593046
34746,CCOc1ccccc1NCCCOc1ccc(ONS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.059425466
34747,CCc1cc2c(cc1OC)C1Cc3cccc(OCc4ccc(OC)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7047101
34748,COC1CCN(CCN2CCN(c3ccccc3-c3ccc4ccc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71942484
34749,COC1CCN(CCN2CCN(c3ccccc3C3CC(=O)c4cc(C(N)=O)ccc4O3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6425435
34750,COC1CCN(CCN2CCN(c3ccccc3COc3cnn4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73677874
34751,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4c(O)nccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7714606
34752,COCCCN1CCN(Cc2cccc(-c3ccc(-c4cn5ccccc5n4)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.42581096
34753,COCCOc1ccc(OC)c(N2CCCC(OC(=O)c3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1364407
34754,COCCOc1ccc(OC)c(NC(=O)C2CCCCN2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.045638185
34755,COCCOc1ccc(OCN2CCCN(c3cccc(C(F)(F)F)c3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.471929
34756,COCCOc1ccc(ON2CCN(c3ccc(OCCF)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27201918
34757,COOc1ccc(OCCN2CCC(Cc3ccc(F)cc3)CC2=O)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.2930168
34758,COc1cc2c(cc1Cc1ccccc1C)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7361715
34759,COc1cc2c(cc1OC)C1Cc3cccc(NOCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54187685
34760,COc1cc2c(cc1OC)C1Cc3cccc(OCc4ccccc4C#N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7450338
34761,COc1cc2c(cc1[SH](C)(=O)O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7197074
34762,COc1ccc(C(=O)NCCN2CCN(c3cccc(C)c3C)CC2)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.74892324
34763,COc1ccc(OCCC=N)cc1CCC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.4644217
34764,COc1ccc(OCCCCNC(=O)c2ccc(C=O)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.054590728
34765,COc1ccc(OCCN2CCC(C3C(=O)CCc4ccccc43)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.63974464
34766,COc1ccc(OCCN2CCCC(Cc3ccc(OC4CCCC4)cc3)C2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.37808102
34767,COc1ccc(OCCN=S(C)(=O)O)cc1NCCc1ccc(OC2CCNCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.1613316
34768,COc1ccc(OCCNC(=O)C=O)cc1N1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21448545
34769,COc1ccc(OCCNS(C)(=O)=O)cc1OCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.21486275
34770,COc1ccc(OCCc2ccccc2OCC(F)(F)F)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.108557895
34771,COc1cccc(CN2CCN(CCCc3cc4ccc(OC)cc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67230994
34772,COc1cccc(CN2CCN(CCCc3cccc4sc(=O)oc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4999283
34773,COc1cccc2c1CN1CCc3cc(-c4ccc(OC(F)(F)F)cc4)c(CO)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58173484
34774,COc1ccccc1N1CCN(CCN2CCC(C3CCc4ccc(O)cc4O3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69633067
34775,CSOc1ccc(OCCN2CCC(Oc3ccccc3SC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.583714
34776,CSOc1ccc(OCCN2CCC(S(=O)(=O)c3cc(F)ccc3F)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.67437387
34777,Cc1cc(OCCF)ccc1ON1CCN(CC=Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.40661478
34778,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)CCC(=O)C3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.05052551
34779,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(Cc2ccc3c(c2)CC(N)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.40697786
34780,Cc1ccc(-c2cc(C(=O)NCCN3CCN(Cl)CC3)ccc2F)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.19801286
34781,Clc1cccc(CN2CCN(CCCc3ccc(C4CCCC4)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.79149437
34782,Nc1cc2c(cc1O)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74853337
34783,O=C(Cc1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1)Nc1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.28799796
34784,O=C(Nc1cccc(CN2CCN(CCCCl)CC2)c1)C1CCCc2ccccc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.37248972
34785,O=S(=O)(c1ccc(F)cc1)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46337464
34786,OC(=Nc1ccccc1)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70541453
34787,Oc1cc2c(cc1OCC1CCCC1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6351282
34788,C=Cc1cc2c(cc1OC)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67920333
34789,C=Cc1ccccc1OC1CCN(CCOc2ccc(OSC)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5884223
34790,C=Cc1ccccc1OC1CCN(c2cc(OCCNC(C)=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18513837
34791,CC(C)(C)c1cccc2c1CN1CCc3cc(O)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7496301
34792,CCCOc1ccc(OCOCC)c(N2CCCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2990995
34793,CCCOc1ccc(OCl)c(N2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3592011
34794,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCCC(Cc3ccc(OC4CCCC4=O)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16980954
34795,CCCOc1ccc(OOC)c(CCCn2cccc2C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13958009
34796,CCCc1cc2c(cc1O)C1Cc3cccc(-c4ccc(OC)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6789471
34797,CCOc1ccccc1N1CCN(CCN2CCC(c3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84710765
34798,CNC(=O)C1Cc2ccccc2N1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5123138
34799,COC1CCN(CCN2CCN(c3ccccc3C3CCc4ccc(O)cc4C3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7156318
34800,COCCCN1CCN(Cc2cccc(-c3ccc4ccc(=O)oc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57432693
34801,COCCCN1CCN(Cc2cccc(CN3C(=O)CC4(CCCC4)CC3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.42537254
34802,COCCOc1ccc(OC)c(CN2CCN(C(F)c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4235082
34803,COCCOc1ccc(OC)c(NCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11989948
34804,COCCOc1ccc(ON(C)CCc2ccco2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10963816
34805,COCc1cc2c(cc1O)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6797567
34806,CON1CCN(CCNC(=O)c2ccc(C)c(-c3cccc(Cl)c3[O-])c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27833784
34807,CON=S(C)(=O)Oc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.017465128
34808,COOc1ccc(OCCC=Cc2ccccc2OC2CCNCC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.29672056
34809,COc1cc2c(cc1CNc1cccc(Cl)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5901229
34810,COc1cc2c(cc1Cl)CCN1Cc3c(cccc3C(=O)OCc3ccc(C#N)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44095802
34811,COc1cc2c(cc1O)C1Cc3cccc(C(=O)NCc4ccc(C(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5427382
34812,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccsc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7981273
34813,COc1ccc(COc2cccc3c2CN2CCc4cc(O)c(Cl)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6899143
34814,COc1ccc(OCCC2CCC(Cc3ccc(OC4CCC(=O)NC4)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.17316757
34815,COc1ccc(OCCC=Cc2ccc(F)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.098377645
34816,COc1ccc(OCCCC(C)c2ccccc2)cc1S(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.05945032
34817,COc1ccc(OCCN2CCC(C(=O)c3ccccc3F)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5866151
34818,COc1ccc(OCCN2CCC(c3cccc4ccc(F)cc34)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.7194293
34819,COc1ccc(OCCN2CCCC(Cc3ccc(F)cc3)C2)cc1NS(=O)(=O)c1ccc(C(N)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.2528721
34820,COc1ccc(OCCc2ccc(C(C)=O)cc2)cc1N1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.2529074
34821,COc1cccc(CN2CCN(CCCCNc3nccc4ccccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6081294
34822,COc1ccccc1N1CCN(CCN2CCC(COc3ccc4nc[nH]c4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7811951
34823,COc1ccccc1N1CCN(CCN2CCC(Cc3ccc4ncc(F)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7539567
34824,COc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccc(F)nc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82598644
34825,COc1ccccc1N1CCN(CCNC(=O)c2ccc(SC)c(O)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.8593397
34826,CSOc1ccc(OCCNC(=O)c2ccc(OC3CCNCC3)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.039434902
34827,Cc1cc(OCCNC(=O)Cc2ccc3ccccc3c2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.022021705
34828,Cc1cc(OCCNCCc2ccc(F)cc2)ccc1ON=[SH](C)(O)O,[*]CCOc1ccc(O[*])c([*])c1,0.12366095
34829,Cc1cc(OCCNCCc2ccc(OC3CCCCC3)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.12853494
34830,Cc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64544404
34831,Cc1cccc(N2CCN(CCCN3CCN(Cc4cccc(Cl)c4)CC3)C2=O)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5657329
34832,Cc1csc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.693086
34833,ClCCCN1CCN(Cc2cccc(-c3ccc(-c4cccs4)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66739106
34834,O=S1(=O)c2ccccc2C=CN1Cc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5445686
34835,Oc1cccc2c1CN1CCc3cc(Cc4ccsc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7634492
34836,Oc1cccc2c1CN1CCc3cc(OCc4ccc5ccccc5c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6868333
34837,C=CCNc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60101634
34838,CC(=O)c1ccc(F)cc1S(=O)(=O)CCCOc1ccc(OS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.040701333
34839,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccc(F)cc4)no3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82199466
34840,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3ccc4ncccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8425997
34841,CCCCc1ccccc1N1CCN(Oc2ccc(OCCC)cc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28070182
34842,CCCOc1ccc(OCN2CCCN(c3ccc(Cl)cc3)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.56500924
34843,CCCOc1ccc(ON2CCC(c3ccccc3OCC)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.49327508
34844,CCCOc1ccc(ON2CCc3ccc(OCC(F)(F)F)cc3C2)c(N)c1,[*]CCOc1ccc(O[*])c([*])c1,0.43064493
34845,CCCOc1ccc(OOC)c(N2CCN(c3ccccc3OCC(C)=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26948738
34846,CCCOc1ccc(OS(C)(=O)=O)c(CNCC2CCc3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37190354
34847,CCCOc1ccc(OSC)c(NC(=O)c2ccccc2OCC2CCCN2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05997614
34848,CCNC(=O)Oc1cc2c(cc1-c1cc(F)cc(F)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44757792
34849,CCOc1cc(OCCN2CCC(c3ccccc3)CC2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.73810154
34850,CCOc1cc2c(cc1OC)CCN1Cc3c(cccc3-c3cccc(C#N)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56268615
34851,CN(C)c1ccc(Cc2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69229925
34852,CNCc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6652908
34853,COC(=O)Nc1cccc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3584294
34854,COCCOc1ccc(OC)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.83263344
34855,COOc1ccc(OCCN2CCN(c3ccccc3OC(C)C)CC2)cc1C=O,[*]CCOc1ccc(O[*])c([*])c1,0.8564396
34856,COc1cc2c(cc1O)C1Cc3cccc(NC(=O)OC(C)(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41370308
34857,COc1cc2c(cc1O)C1Cc3cccc(OCc4cccc(C=O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67854667
34858,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cc(OC(F)(F)F)ccc3CO)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73744166
34859,COc1ccc(OCCC(C)=O)cc1CCOc1cccc(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.020957142
34860,COc1ccc(OCCCCCc2ccc3c(c2)NC(=O)CC3)cc1Br,[*]CCOc1ccc(O[*])c([*])c1,0.22387981
34861,COc1ccc(OCCCCSc2ccccc2)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5835406
34862,COc1ccc(OCCCF)cc1NS(=O)(=O)c1cccc(C(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07492001
34863,COc1ccc(OCCCN2CCC(NS(=O)(=O)c3cccc(C(C)=O)c3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5488699
34864,COc1ccc(OCCCc2ccc(S(C)(=O)=O)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.072201066
34865,COc1ccc(OCCN2C=CC(Nc3ccccc3OC(C)C)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2342883
34866,COc1ccc(OCCN2CCC(OCCc3ccccc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.7114178
34867,COc1ccc(OCCNC(=O)c2ccc3ccccc3c2)cc1N1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3838891
34868,COc1ccc(OCCS(C)(=O)=O)cc1CN1CCC(Oc2ccccc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4081594
34869,COc1ccc(OCCS(C)=O)cc1N1CCC(c2ccccc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2636885
34870,COc1ccc(OCCS(N)(=O)=O)cc1CCCc1ccc2c(c1)NC(=O)CCC2,[*]CCOc1ccc(O[*])c([*])c1,0.25114915
34871,COc1ccc(OCCS(N)(=O)=O)cc1N1CCCC(COc2ccc3c(c2)NC(=O)CC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.28576976
34872,COc1cccc(CN2CCN(CCCCn3ccc(C)cc3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6215841
34873,COc1cccc2c1CN1CCc3cc(-c4ccc(C)c(C)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5648825
34874,CSOc1ccc(OCCN2CCC(Cc3ccc(OC4CCC(=O)NC4)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5195641
34875,Cc1cc(OCCN2CCC(Oc3ccc4c(c3)NC(=O)CCS4)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4978545
34876,Cc1cc(OCCNCc2ccccc2)ccc1ON1CCCC1[SH](=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.23209488
34877,Cc1cccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2C)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2671706
34878,O=C1c2ccccc2-c2c1cccc2-c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48437163
34879,O=S(=O)(Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)c1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49109823
34880,OC(=NOCc1ccccc1)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69835114
34881,OCc1ccc(-c2cc3c(cc2Oc2ccccc2)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7786193
34882,Oc1cccc2c1COC(CCCN1CCN(Cc3cccc(Cl)c3)CC1)C2,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67988646
34883,c1ccc(CCCN2CCN(Cc3cccc(Cc4cc5ccccc5o4)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.73507273
34884,CCCCN1CCN(Cc2cccc(N3C(=O)C(C)c4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61448014
34885,CCCOc1ccc(OCN2C=CN(C(C)=O)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10611642
34886,CCCOc1ccc(OCN2CCC(Cc3ccc4c(c3)NC(=O)CCS4)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.44882375
34887,CCCOc1ccc(ON2CCN(Cc3cccc(OC)c3)CC2)c(NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30465546
34888,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCN(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19193654
34889,CCCOc1ccc(OOS(C)(=O)=O)c(N2C(=O)CC3(CCCCC3)C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.148368
34890,CCCOc1ccc(OS(C)(=O)=O)c(CC(=O)c2ccccc2OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05091199
34891,CN(C)c1cc2c(cc1OCc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.696377
34892,CNc1cc2c(cc1Cl)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6686194
34893,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccc(F)cc4)o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75496835
34894,COC1CCN(CCN2CCN(c3ccccc3-n3cc(-c4ccc(F)cc4)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7403469
34895,COC1CCN(CCN2CCN(c3ccccc3COc3ccc4cc(O)ccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67336744
34896,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccc([N+](=O)[O-])cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.17797631
34897,COc1cc2c(cc1C=O)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66504955
34898,COc1ccc(-c2cc3c(cc2C)CCN2Cc4c(cccc4OC)CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67656726
34899,COc1ccc(C(C)C)cc1S(=O)(=O)NCCOc1ccc(ON2CCNCC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15980975
34900,COc1ccc(OCCCOc2ccccc2C(C)C)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.1877812
34901,COc1ccc(OCCCS(=O)(=O)Cc2ccc(F)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13268727
34902,COc1ccc(OCCN2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5408404
34903,COc1ccc(OCCNS(C)(=O)=O)cc1NCC1CCCC1Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.1414095
34904,COc1ccc(OCCO)cc1CN1CCC(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.54204595
34905,COc1ccc(OCCS(C)(=O)=O)cc1CNc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.051235273
34906,COc1ccc2ccc(CC3CCN(CCCOc4ccc(OS(C)(=O)=O)c(C)c4)CC3)nc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.49134558
34907,COc1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63470197
34908,COc1cccc(-c2cccc3c2CN2CCc4cc(O)c(Cl)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6060529
34909,COc1cccc(CN2CCN(CCCNc3ccccc3OC)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.41680256
34910,COc1cccc(CN2CCN(CCCc3cccc(C)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6110154
34911,COc1cccc2c1CN1CCc3cc(-c4cccc(C(F)(F)F)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6824429
34912,COc1cccc2c1CN1CCc3cc(CNCc4ccncc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5743997
34913,COc1cccc2c1CN1CCc3cc(CSc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5937852
34914,COc1cccc2c1CN1CCc3cc(Oc4ccc(CO)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74107295
34915,COc1ccccc1CC1CC=CN(CCOc2ccc(ON)c(C)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.34589854
34916,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc4ccccc4c3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8514994
34917,COc1ccccc1N1CCN(COc2ccc(OCCF)cc2CCF)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7793618
34918,COc1ccccc1N1CCN(c2cc(OCCC=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.33224386
34919,COc1cccn1-c1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76784474
34920,CSOc1ccc(OCCCCOc2cccc(C)c2)cc1C=O,[*]CCOc1ccc(O[*])c([*])c1,0.0958916
34921,CSc1ccc(OC2CCN(CCOc3ccc(OOS(C)(=N)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.5028011
34922,CSc1ccccc1NC1CCN(CCOc2ccc(ONS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5651609
34923,Cc1cc(OCCN2CCN(c3cccc(OCC(F)(F)F)c3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.70208365
34924,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1470001
34925,Cc1cc(OCCS(=O)(=O)[O-])ccc1ON1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.18536186
34926,Cc1cc2c(cc1O)CCN1Cc3c(CO)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66195756
34927,Cc1ccccc1N1CCN(CCN2CCC(COCC#Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6718305
34928,Cc1ccccc1N1CCN(CCN2CCC(OCc3cc4ccccc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6364808
34929,ClCCCN1CCN(Cc2cccc(-c3c[nH]c4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6668327
34930,O=C(CO)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56748974
34931,O=c1sc2ccccc2cc1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6366534
34932,OCC=Nc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7533807
34933,OCc1ccc(CCc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7801245
34934,Oc1cccc2c1CN1CCc3cc(OCc4ccc(F)cc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7452354
34935,CC(=O)NCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5167145
34936,CC(=O)NOc1ccc(OCCN2CCN(Cc3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.2810726
34937,CC(C)OC1CCN(CCN2CCN(c3ccccc3C(=O)NCc3ccccc3C#N)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6171232
34938,CC=S(=O)(O)Nc1cc2c(cc1Cl)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54196817
34939,CCCOc1ccc(OCN2CCN(c3ccccc3OCC)CC2)c(C(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6556725
34940,CCCOc1ccc(OF)c(CN2CCN(C(C)=O)c3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2737936
34941,CCCOc1ccc(OF)c(N2CCC(NC(=O)c3ccc(C(C)=O)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12717706
34942,CCCOc1ccc(ON2CCC(Oc3ccc(F)cc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.47094968
34943,CCCOc1ccc(ON2CCCC(CCc3ccccc3)C2)c(OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29578805
34944,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(c3ccc(CC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28862107
34945,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Nc3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22780313
34946,CNC(=O)c1cccc(C2CCN(CCCOc3ccc(ON)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.67499447
34947,COC(=O)Nc1cc2c(cc1O)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36423415
34948,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(O)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6434355
34949,COCCCN1CCN(Cc2cccc(CNC(=O)Cc3cc4ccccc4s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.33635038
34950,COOc1ccc(OCCCN2CCN(c3ccc(F)cc3)CC2)cc1C=O,[*]CCOc1ccc(O[*])c([*])c1,0.6824504
34951,COOc1ccc(OCCCOC(=O)Nc2ccc(F)cc2)cc1Cc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.07415637
34952,COOc1ccc(OCCc2ccc(F)cc2)cc1C(=O)CCN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.30793837
34953,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccco1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.21091829
34954,COc1cc2c(cc1-c1ccc(C=O)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6562365
34955,COc1cc2c(cc1-c1cccc(C#N)c1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6720779
34956,COc1cc2c(cc1NC(O)C1CC1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.595569
34957,COc1ccc(OCCF)cc1CN1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6988559
34958,COc1ccc(OCCN2CCC(Cc3ccc(F)cc3)CC2)cc1C(=O)NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5425452
34959,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCS4)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5867258
34960,COc1ccc(OCCN=S(C)O)cc1CCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.24339499
34961,COc1ccc(OCCNC(=O)CCc2ccccc2)cc1CN1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.14849986
34962,COc1ccc(OCCNC(C)=O)cc1CN1CCC(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.43111473
34963,COc1ccc(OCCNCc2ccccc2)cc1S(=O)(=O)N1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.20254372
34964,COc1ccc(OCCS(C)(=O)=O)cc1C(CCc1ccc2c(c1)NC(=O)CC2)OC,[*]CCOc1ccc(O[*])c([*])c1,0.23108035
34965,COc1ccc(OCCS(C)(=O)=O)cc1CN1CCC(c2ccc(CC(F)(F)F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.53048337
34966,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC2CCC(Cc3ccc(F)cc3C2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.38817924
34967,COc1cccc(-c2cc3c(cc2OC)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65990597
34968,COc1cccc(CN2CCN(CCCCc3ccc(O)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65012336
34969,COc1cccc(OC)c1-c1ccc(C(=O)NCCN2CCN(OC)CC2)cc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35198694
34970,COc1cccc2c1CN1CCc3cc(-c4cccc(-c5ccccc5)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68852746
34971,COc1cccc2c1CN1CCc3cc(N4CCCCC4=O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42417073
34972,COc1cccc2c1CN1CCc3cc(O)c(-c4ccc(CO)cc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6941977
34973,COc1cccc2c1CN1CCc3cc(O)c(Oc4ccc(CO)cc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6858697
34974,COc1ccccc1CNC(=O)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45206025
34975,COc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccc(F)cc4)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8653083
34976,Cc1cc(OCCN2CCC(COc3ccc4c(c3)NC(=O)CC4)CC2)ccc1ONCC=S(N)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.4831678
34977,Cc1cc(OCCN2CCC(Oc3ccc(CCF)cc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5085586
34978,Cc1ccc(OC2CCN(Oc3ccc(OCCNS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.1931547
34979,Cc1ccccc1N1CCN(CCN2CCC(C(=O)Oc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65573823
34980,FC(F)(F)CCCN1CCN(Cc2cccc(-c3cc(-c4ccccc4)co3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5151446
34981,O=C(Nc1cccc2ccccc12)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.33724946
34982,O=C(Nc1ccccc1Cl)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3719374
34983,O=S(=O)(c1ccc(F)cc1)c1ccccc1N1CCN(CCN2CCC([O-])CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6980452
34984,OC1CCN(CCN2CCN(c3ccccc3-c3cc4ccccn4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76207864
34985,OC1CCN(CCN2CCN(c3ccccc3-n3ccc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6798451
34986,CCCOc1ccc(OCS(N)(=O)=O)c(NC(=O)c2ccc(OCC3CCCCN3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.057381738
34987,CCCOc1ccc(OOC)c(-c2ccc(OC)c(C(C)C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09292249
34988,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)COc2ccc3ccccc3c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0072546764
34989,CCCOc1ccc(OS(N)(=O)=O)c(CCCc2ccc(OC3CCCCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1506106
34990,CCN1CCC(c2cc(CCOc3ccc(OC)c(Cl)c3)on2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.40364373
34991,CCNC(=O)NCCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39744726
34992,CCOc1ccccc1N1CCN(CCN2CCC(Oc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7945837
34993,CCOc1ccccc1N1CCN(CCN2CCC(n3ccc(C=O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83824
34994,CCOc1ccccc1N1CCN(c2cc(OCCN=S(C)(=O)O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21024495
34995,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6818438
34996,COCCCN1CCN(Cc2cccc(-c3ncc(-c4ccccc4)o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.42656687
34997,COCCOc1ccc(OCN2CCN(c3ccccc3OC)CC2C)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35695076
34998,COCc1ccc(-c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6783715
34999,COOc1ccc(OCCCN2CCC(NS(=O)(=O)c3cccc(F)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.68450207
35000,COOc1ccc(OCCN2CCC(c3ccc(F)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5865685
35001,COc1cc2c(cc1O)C1Cc3cccc(COCc4ccc5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7485363
35002,COc1cc2c(cc1O)C1Cc3cccc(OCNCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6593095
35003,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc5c(c4)OCO5)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63595814
35004,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78229773
35005,COc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.45484862
35006,COc1ccc(OCCF)cc1N1CCC(c2cccc(CNS(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.32206494
35007,COc1ccc(OCCN2CCC(CCc3ccc(F)cc3)CC2)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6803336
35008,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCC4)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.692443
35009,COc1ccc(OCCN2CCC(c3ccccc3)CC2)cc1CS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.7019194
35010,COc1ccc(OCCN2CCN(c3ccccc3OC)CC2)cc1OCCF,[*]CCOc1ccc(O[*])c([*])c1,0.9425344
35011,COc1ccc(OCCN=S(C)(=O)O)cc1CCCc1cc2ccccc2s1,[*]CCOc1ccc(O[*])c([*])c1,0.084489316
35012,COc1ccc(OCCN=S(C)(=O)O)cc1NCC1CCc2cc(OC)c(OC)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.27570707
35013,COc1ccc(OCCNC(C)=O)cc1CN1CCC(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4018521
35014,COc1ccc(OCCNCCc2ccccc2)cc1OC(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.09793168
35015,COc1ccc(OCCNS(=O)(=O)Cc2ccc(F)cc2)cc1N1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.38956064
35016,COc1cccc2c1CN1CCc3cc(C)c(OCCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6311664
35017,COc1ccccc1N1CCN(CCN2CCC(Br)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9433247
35018,COc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3ccc(N4CCCC4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7279837
35019,COc1ccccc1N1CCN(CCN2CCC(c3cc(-c4cccnc4)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8525325
35020,Cc1cc(OCCC(C)Cc2ccc3c(c2)NC(=O)CC3)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.18107541
35021,Cc1cc(OCCN2CCCC(c3ccc(Cl)cc3)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.44129416
35022,Cc1cc(OCCN2CCN(c3cccc(F)c3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6437998
35023,Cc1cc(OCCN=S(C)(=O)O)ccc1OCC1CC(=O)c2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.12553774
35024,Cc1cc(OCCNS(=O)(=O)c2ccc(C(C)C)cc2)ccc1OCN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.12009151
35025,FC(F)(F)c1cccc(CN2CCN(CCCCCc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.8285482
35026,Fc1nc2ccccc2nc1C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81105494
35027,N#Cc1cccc2c1CN1CCc3cc(CO)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7798417
35028,O=C(Cc1ccccc1)NCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.28350154
35029,O=C(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1cnc2ccccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.45293236
35030,O=C(c1cccc(CN2CCN(CCCCl)CC2)c1)C1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56423795
35031,O=C1Nc2ccccc2ON1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70148677
35032,O=S(=O)(NCCCN1CCN(Cc2cccc(Cl)c2)CC1)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53854215
35033,Oc1c2ccccc2c(O)n1-c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6661826
35034,c1ccc(CCCN2CCN(Cc3cccc(Cc4ccccc4)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7008607
35035,C#Cc1ccc(COc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6817044
35036,CCCOc1ccc(OCCCOc2ccccc2)c(N2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3060869
35037,CCCOc1ccc(OCCNC(=O)c2cccc(N3CCNC3)c2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14719535
35038,CCCOc1ccc(OF)c(CNCC2CCc3cc(OC)c(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4119436
35039,CCCOc1ccc(OS(=O)(=O)O)c(NC(=O)c2ccc(OC3CCC(C)CC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.059074283
35040,CCCOc1ccc(OS(C)(=O)=O)c(C(F)Cc2ccc(OC3CCCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23614493
35041,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3ccc(F)c(F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2855104
35042,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(c3ccc(OCC4CCC(=O)NC4)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25698838
35043,CCCOc1ccc(OSC)c(CNCc2ccc3c(c2)CCC(=O)N3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15713853
35044,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccc(-c4cccc(F)n4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.48653635
35045,COCCCN1CCN(Cc2cccc(-n3cnc4ccccc4c3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5166038
35046,COCCCN1CCN(Cc2cccc(C=Cc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5954733
35047,COc1cc2c(cc1CNC(=O)Nc1c(Cl)cccc1Cl)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46742922
35048,COc1cc2c(cc1O)C1Cc3cccc(C(=O)c4cc5ccccc5[nH]4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5223492
35049,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(C)[nH]3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62931556
35050,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3ccc([N+](=O)[O-])cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49915987
35051,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(cccc3-c3cccc(C#N)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56407136
35052,COc1cc2c(cc1Oc1ccccc1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6796584
35053,COc1ccc(F)cc1CC1CCN(c2cc(OCCS(C)(=O)=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31982866
35054,COc1ccc(OCCC(N)=O)cc1CCC(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.05361822
35055,COc1ccc(OCCCN2CCC(c3ccccc3)C2=O)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.32664108
35056,COc1ccc(OCCCNS(=O)(=O)c2ccccc2F)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13808975
35057,COc1ccc(OCCCS(N)(=O)=O)cc1N1CCC(c2ccc(OCC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25594264
35058,COc1ccc(OCCN2CCC(Cc3ccc4ccccc4n3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5285949
35059,COc1ccc(OCCN2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.59915084
35060,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.38310984
35061,COc1ccc(OCCNC(=O)c2cccc(C)c2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.017084075
35062,COc1ccc(OCCNS(C)(=O)=O)cc1CN1CCC(C(=O)c2ccc(NC(C)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23432894
35063,COc1ccc2cc(C(=O)NC3CCN(CCN4CCN(c5ccccc5Cl)CC4)CC3)ccc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77455693
35064,COc1cccc(C(=O)Nc2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3649095
35065,COc1cccc(C2CCN(c3cc(OCCC(N)=O)ccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23545755
35066,COc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccc(F)cc4)c4cccc(CN)c43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77326924
35067,COc1ccccc1N1CCN(COc2ccc(OCCCCOc3ccccn3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.65494496
35068,COc1ccccc1NC(=O)c1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3248336
35069,CS(=O)(=O)c1ccc(-c2cccc(CN3CCN(CCCF)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5155973
35070,Cc1cc(OCCC(F)CCc2ccc3c(c2)CC(=O)CC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.14579187
35071,Cc1cc(OCCN2CCC(Cc3ccc4ccccc4c3)CS2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.21063036
35072,Cc1cc(OCCN2CCC(Oc3ccc(F)cc3)CC2)ccc1OS(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5759127
35073,Cc1cc(OCCNC(=O)COc2ccc3c(c2)NC(=O)CC3)ccc1ON(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.050493386
35074,Cc1cc(OCCNC(=O)Cc2ccc(O[SH](C)(C)=O)cc2)ccc1ON1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.044053312
35075,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCCC(Cc2ccc(C3CCNC3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.18049534
35076,Cc1cccc(C(=O)NCCCN2CCN(Cc3cccc(Cl)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.35965225
35077,Cc1cccc(CN2CCN(CCCCNC(=O)c3ccc4ccccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63230556
35078,Cc1ccccc1N1CCN(CCN2CCC(C3CCCCC3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6389913
35079,O=C(Nc1cccc(Cl)c1)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.29891485
35080,O=S(O)(=CCF)c1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.52840185
35081,CC(=O)NOc1ccc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5291568
35082,CCCOc1ccc(OCNS(C)(=O)=O)c(CCOc2ccc3c(c2)CC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21265672
35083,CCCOc1ccc(OCNc2ccccc2OCC)c(OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.051006924
35084,CCCOc1ccc(ON2CCN(c3ccccc3OCC)CC2)c(C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32168046
35085,CCCOc1ccc(OOCC)c(N2CCCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3038971
35086,CCCOc1ccc(OS(C)(=O)=O)c(NCC2CCc3ccc(OC)cc3CC2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35669604
35087,CCCOc1ccc(OS(N)(=O)=O)c(NCC2C(=O)CCc3ccc(OCC(F)(F)F)cc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26775345
35088,CCCOc1ccc(OSC)c(CS(=O)(=O)c2ccc3c(c2)CCC(CC)C3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24202292
35089,CCOCCCN1CCN(Cc2cccc(-n3c(=O)[nH]c4ccccc4c3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.44840464
35090,CCOc1ccc(C2CCN(Cc3cc(OCCS(C)(=O)=O)ccc3OC)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.5000823
35091,CCc1ccc(Cc2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6956389
35092,CCc1cccc2c1CN1CCc3cc(Oc4cccc(OC)c4)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8101211
35093,CNC(=O)C1=CC=C2CCC(C=C1)C(CNCCOc1ccc(OS(C)(=O)=O)c(C)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.06593286
35094,CNOc1ccc(OCCCCCc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.1538062
35095,CNOc1ccc(OCCSc2ccccc2OCC(C)C)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.066203356
35096,COCCCN1CCN(Cc2cccc(N3CCC(C)(C)CC3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57216847
35097,COc1cc(C(=O)NCCN2CCN(C)CC2)ccc1-c1ccccc1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29768047
35098,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccc(Cl)cc1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.25432253
35099,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc5[nH]ccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6897657
35100,COc1ccc(OCCF)cc1CNC(=O)c1ccccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.032471657
35101,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.61530113
35102,COc1ccc(OCCNC(=O)c2ccc(Cl)c(Cl)c2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.020586886
35103,COc1ccc(OCCNC2CCC(C(F)(F)F)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.20171794
35104,COc1ccc(OCCNCCc2ccc3c(c2)CC(=O)CC3)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.12679325
35105,COc1ccc(OCCNS(=O)(=O)c2ccc(C(C)C)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.055867657
35106,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(c2ccc(C(C)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1718457
35107,COc1ccc(OCCS(C)(=O)=O)cc1NS(=O)(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.04470114
35108,COc1cccc(CN2CCN(CCCN3C(=O)C=C(c4ccccc4)C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63337195
35109,COc1ccccc1C1=CCN(CCOc2ccc(OSC)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.53141487
35110,COc1ccccc1N1CCN(CCN2CCC(COc3ccc4nc(O)cnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67921096
35111,COc1ccccc1N1CCN(CCN2CCC(N(C)c3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9181006
35112,COc1ccccc1N1CCN(Oc2ccc(OCCBr)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3416101
35113,COc1ccccc1NCCCN1CCN(Cc2cccc(OCCF)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4094024
35114,CSc1ccc(C2CCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.51554596
35115,Cc1cc(OCCC(=O)CCc2ccc3c(c2)NCC(=O)C3)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.09958428
35116,Cc1cc(OCCCS(=O)(=O)Cc2ccc(C(C)C)cc2)ccc1ON1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.12792812
35117,Cc1cc(OCCN2COCCC2Cc2ccc(F)cc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16928877
35118,Cc1ccccc1N1CCN(CCN2CCC(C(=O)c3cccs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6591033
35119,Fc1ccc(C2CCN(CCN3CCN(c4ccccc4F)CC3)CC2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73400915
35120,O=C(Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2)OCc1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.37762836
35121,O=C1CCc2ccc(OCCCN3CCN(Cc4cccc(C(F)(F)F)c4)CC3)cc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7102456
35122,O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.75745624
35123,Oc1cccc2c1CN1CCc3cc(-c4ccc5c(c4)C=CC=CN5)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4266246
35124,Oc1cccc2c1CN1CCc3cc(C=NOCc4ccc(Cl)cc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66230416
35125,Oc1ccccc1N1CCN(CCN2CCC(c3nc(-c4ccccc4)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70373607
35126,[O-]OCc1ccccc1N1CCN(CCN2CCC(Nc3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7626405
35127,CC1Cc2ccccc2N1CCCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.73688585
35128,CCCOc1ccc(ON)c(CC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.040914126
35129,CCCOc1ccc(ONS(C)(=O)=O)c(CC2CCc3ccc(OCC4CCCC4)cc3C(=O)N2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22857575
35130,CCCOc1ccc(OS(C)(=O)=O)c(CCNCC2CCc3ccc(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.47421908
35131,CCCc1ccccc1-c1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6236817
35132,CCOC(=O)NCc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4286952
35133,CCOCCCN1CCN(Cc2cccc(NC(=O)C=Cc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.35534692
35134,CCc1cc2c(cc1O)C1Cc3cccc(CO)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72199327
35135,CNOc1ccc(OCCN2CCC(CCc3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.59578127
35136,CNc1ccccc1-c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4896029
35137,COC(=O)c1ccccc1N1CCN(CCN2CCC(c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6587946
35138,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3cnc(-c4ccccc4)o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.42459303
35139,COCC1CCCN(c2cc(OCCOS(C)(=O)=O)ccc2OC)C1,[*]CCOc1ccc(O[*])c([*])c1,0.23381828
35140,COCCCN1CCN(Cc2cccc(NC(=O)c3cccc(OC)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.30500466
35141,COOc1ccc(OCCNC(=O)COc2ccc(C(C)C)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.011573213
35142,COOc1ccc(OCCNC(=O)c2ccccc2OC)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.028808491
35143,COc1cc2c(cc1OC)C1Cc3cccc(CCc4ccc(Oc5ccccc5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74984103
35144,COc1cc2c(cc1OC)C1Cc3cccc(Oc4ccc(CO)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7280981
35145,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(N)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7537292
35146,COc1ccc(C(=O)NCCN2CCN(O[O-])CC2)cc1-c1cccc(C)c1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.25469112
35147,COc1ccc(C(=O)NCCN2CCN(c3ccccc3C)CC2)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.6903199
35148,COc1ccc(OCCC(=O)NSC)cc1N1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.16441493
35149,COc1ccc(OCCCCC(=O)c2ccc(F)cc2)cc1NC(=O)C1CCCCN1,[*]CCOc1ccc(O[*])c([*])c1,0.07816564
35150,COc1ccc(OCCCc2ccc(C(C)=O)cc2)cc1CN1CCN(C(C)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1471243
35151,COc1ccc(OCCF)cc1N[SH](C)(=O)c1ccc(C(N)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.037457872
35152,COc1ccc(OCCN(C)C)cc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.35363835
35153,COc1ccc(OCCN=S(C)(=O)O)cc1NCCc1cccc2c1CCC(=O)C2,[*]CCOc1ccc(O[*])c([*])c1,0.17620328
35154,COc1ccc(OCCSC)cc1N1CCC(Cc2ccc(C(=O)C3CCCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.14335483
35155,COc1ccc(OCCSC)cc1NC(=O)COc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.007550087
35156,COc1ccc2cc(Oc3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)ccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73048276
35157,COc1cccc(CN2CCN(CCCC3=Cc4ccccc4CC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7121784
35158,COc1cccc(OCc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.783227
35159,COc1cccc2c1CCC(NCc1cccc(CN3CCN(CCCCl)CC3)c1)C2,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63411677
35160,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(OC)CC2)cc1CO,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.28811884
35161,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8213652
35162,COc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccc(O)cc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7482203
35163,COc1ccccc1N1CCN(CCN2CCC(n3cc(C)nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.781946
35164,COc1ncccc1-c1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75586957
35165,Cc1cc(OCCCn2ccc(C=O)c2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.07864217
35166,Cc1cc(OCCN2CCC(Oc3ccc4c(c3)CCC(=O)N4)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.46357173
35167,Cc1cc(OCCNC(=O)Cc2ccc(F)cc2)ccc1ON1CCNC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.064183556
35168,Cc1cc(OCCNCC2CC(=O)Cc3ccccc32)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.1579614
35169,Cc1cc(OCCNS(C)(=O)=O)ccc1OCC1Cc2ccccc2CC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.19742969
35170,Cc1ccccc1N1CCN(CCN2CCC(n3ccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6954613
35171,ClCCCN1CCN(Cc2cccc(COc3cccc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60403776
35172,O=C(NCCCCN1CCN(Cc2cccc(CO[O-])c2)CC1)c1cc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.684491
35173,O=S(=O)(c1cccc(Cl)c1)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.61396605
35174,O=c1oc2ccccc2n1Cc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6113532
35175,Oc1nc2ccc(F)cc2n1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74167895
35176,Oc1nc2ccccc2n1-c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6714939
35177,CC(=O)OCCCN1CCN(Cc2cccc(C(=O)c3ccc(-c4ccccc4)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51528186
35178,CC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccsn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76344764
35179,CCCOc1ccc(OC)c(NC(=O)c2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.021789217
35180,CCCOc1ccc(OCN(C)S(C)(=O)=O)c(-c2ccc(OC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08090609
35181,CCCOc1ccc(ONCC2CC(=O)c3ccc(F)cc3C2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23154235
35182,CCCOc1ccc(ONS(C)(=O)=O)c(NCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06694165
35183,CCCOc1ccc(OOS(C)(=O)=O)c(CCCc2ccc3c(c2)NCC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2619792
35184,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3ccc4c(c3)NC(=O)CCC4)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30561513
35185,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(NC(=O)c3ccc(CC)c(F)c3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14949377
35186,CCOc1cc2c(cc1O)CCN1Cc3c(CO)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72603166
35187,CCOc1ccccc1N1CCN(CCN2CCC(CF)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.813736
35188,CCOc1ccccc1N1CCN(CCN2CCC(COc3ccc4c(c3)NC(=O)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74901706
35189,COC1CCN(CCN2CCN(c3ccccc3-c3cc(-c4ccccn4)ccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7122598
35190,COC1CCN(CCN2CCN(c3ccccc3-n3ccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7667991
35191,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4cc(O)ccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84964687
35192,COCCCN1CCN(Cc2cccc(C3=Cc4ccccc4S(=O)(=O)N3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.43206066
35193,COOc1ccc(OCCc2ccc(F)cc2)cc1CC1CCCN(C)C1,[*]CCOc1ccc(O[*])c([*])c1,0.42772576
35194,COOc1ccc(OCCc2ccc(F)cc2)cc1CNCC(C)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.20215909
35195,COc1cc2c(cc1C(=O)N(C)OCc1ccccc1)C1Cc3cccc(Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43326718
35196,COc1cc2c(cc1C(=O)Nc1cccc(C(F)(F)F)c1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34821787
35197,COc1cc2c(cc1NC(=O)OCc1ccc(C)cc1)C1Cc3cccc(NC(C)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.2842377
35198,COc1cc2c(cc1O)C1Cc3cccc(OC(C)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61501145
35199,COc1ccc(OCCC(C)COc2ccccc2)cc1CN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.3263832
35200,COc1ccc(OCCCCF)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.084274426
35201,COc1ccc(OCCCCOc2ccc3c(c2)NC(=O)CC3)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.25646698
35202,COc1ccc(OCCF)cc1NS(=O)(=O)c1cc(C(C)C)ccc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.050649945
35203,COc1ccc(OCCN2CCC(Oc3ccc(C4CCCCC4)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5686929
35204,COc1ccc(OCCN2CCC(Oc3ccc4ccccc4c3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6648651
35205,COc1ccc(OCCN2CCC(c3ccccc3OC3CCCCC3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.6732735
35206,COc1ccc(OCCNC(=O)c2ccc(C)s2)cc1CN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.12910238
35207,COc1ccc(OCCNCCc2cccs2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.17809425
35208,COc1ccc(OCCNS(C)(=O)=O)cc1NCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.18050893
35209,COc1ccc(OCCNS(C)=O)cc1N1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.24830285
35210,COc1cccc(C2CCN(CCOc3ccc(OC)c(NS(C)(=O)=O)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6686446
35211,COc1cccc(CN2CCN(CCCCNc3cccc(OC)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.520496
35212,COc1ccccc1C1CCN(CCN2CCN(c3ccccc3C(C)O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6884858
35213,COc1ccccc1N1CCN(CCN2CCC(Cc3cccc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81891125
35214,COc1ccccc1N1CCN(COc2ccc(OCCC(C)O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.65086216
35215,CSCCCN1CCN(Cc2cccc(C3Cc4ccccc4NC3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6049608
35216,Cc1cc(OCCN2CCC(c3ccc(F)c(F)c3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5852318
35217,Cc1cc(OCCN2CCCCC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.29695892
35218,Cc1cc(OCCN2CCN(CCc3ccccc3)CC2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.5223525
35219,Cc1cc(OCCNC(=O)c2ccc(F)cc2)ccc1ON=S(C)(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.020077052
35220,Cc1cc(OCCOC(=O)CCc2ccc3c(c2)NC(=O)CC3)ccc1ON(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.089968264
35221,Cc1cccc(CN2CCN(CCCn3c(=O)sc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6072202
35222,Clc1ccccc1N1CCN(CCN2CCC(Cc3cc4ccccn4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8158002
35223,O=C(CCCCCN1CCN(Cc2cccc(Cl)c2)CC1)N1C=CCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7254129
35224,O=C(NCCCCN1CCN(Cc2cccc(Cl)c2)CC1)C1CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66516054
35225,O=C(NCc1cccc(CN2CCN(CCCF)CC2)c1)c1cc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.52188313
35226,O=C1CCc2ccc(OCc3cccc(CN4CCN(CCCF)CC4)c3)cc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.74744713
35227,Oc1ccc(-c2cc3c(cc2Br)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73170376
35228,CC(=O)Oc1cc2c(cc1O)CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46408647
35229,CCCC1CCCN(CCOc2ccc(OC)c(S(C)(=O)=O)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.4138722
35230,CCCOc1ccc(OC(N)=O)c(NCC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.033198386
35231,CCCOc1ccc(OCCOc2ccccc2C(C)C)c(NS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1121824
35232,CCCOc1ccc(ON2CCN(c3ccc(F)cc3)CC2)c(OC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15233968
35233,CCCOc1ccc(OOC)c(-c2cccc(NC(C)=O)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.020890133
35234,CCCOc1ccc(OOC)c(CNc2cccc(Cl)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09977601
35235,CCCOc1ccc(OSC)c(N2CCN(c3ccc(C(C)=O)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11523057
35236,CCNC(=O)Cc1cc(OCCCOc2ccc(F)cc2)ccc1OOC,[*]CCOc1ccc(O[*])c([*])c1,0.019556757
35237,CCc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.751044
35238,CN(C)c1ccccc1-c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6751732
35239,CNC(C)c1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68436575
35240,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4cccnc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.742655
35241,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4c(c3)NC(=O)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8393096
35242,COCCCN1CCN(Cc2cccc(-c3cc4ccccc4[nH]3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6166242
35243,COCCCN1CCN(Cc2cccc(N3C(=O)C(C)Cc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69742656
35244,COCCOc1ccc(OC)c(N2CCCC(Cc3cccs3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34885785
35245,COCCOc1ccc(OC)c(N2CCCN(c3cccc(Cl)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31060472
35246,COCCOc1ccc(OC)c(OCCF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11126405
35247,COCCOc1ccc(OCC(=O)c2ccc(F)cc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.029779496
35248,COOc1ccc(OCCN2CCc3ccc(OCC(F)(F)F)cc3C2=O)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.2599027
35249,COc1cc2c(cc1C)CCN1Cc3c(Cc4cccc(C#N)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5732885
35250,COc1cc2c(cc1O)C1Cc3cccc(C(=O)NCc4ccccc4Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46063933
35251,COc1cc2c(cc1O)C1Cc3cccc(CC(=O)NCc4cccc(C)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3521538
35252,COc1cc2c(cc1O)CCN1Cc3c(CNc4cccc(C)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48888564
35253,COc1cc2c(cc1O)CCN1Cc3c(Cc4cc(C#N)c5ccccc5c4OC)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.733214
35254,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3cccc(C#N)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64794683
35255,COc1cc2c(cc1OC)C1Cc3cccc(-c4cccc(C(F)(F)F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68899804
35256,COc1ccc(C(=O)NCc2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7039629
35257,COc1ccc(CCc2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8139793
35258,COc1ccc(OCCN2CCC(Cc3ccc(C(=O)N4CCCCC4)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.17665507
35259,COc1ccc(OCCN=S(C)(N)=O)cc1NCCc1ccccc1OC1CCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.1869778
35260,COc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1S(=O)(=O)N(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.021303521
35261,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1N1CCC(Oc2ccccc2Cl)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.13331276
35262,COc1ccc(OCCNC2CCc3ccccc3C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.46114725
35263,COc1ccc(OCCNCCc2ccc(F)cc2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.1686805
35264,COc1cccc(CN2CCN(CCCC3Nc4ccccc4CC3C)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7115448
35265,COc1cccc(CN2CCN(CCCCNC(=O)C=Cc3cccs3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59740114
35266,COc1cccc(CNC(=O)Nc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.2666668
35267,COc1cccc2c1CN1CCc3cc(C=CCO)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71687454
35268,COc1ccccc1C1CCN(CCCOc2ccc(OSC)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.70889175
35269,COc1ccccc1N1CCN(CCN2CCC(c3nnc(-c4ccccc4)o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7979917
35270,Cc1cc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)no1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7016311
35271,Cc1cc(OCCC=CCc2ccc(F)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.0617713
35272,Cc1cc(OCCN2CCOCC2CCc2ccc(F)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.22876991
35273,Cc1cc(OCCNS(C)(=O)=O)ccc1OOC1CC2CCC(C1)N2,[*]CCOc1ccc(O[*])c([*])c1,0.11646044
35274,Cc1ccc(OC2CCN(COc3ccc(OCCN=S(C)(=O)O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.28590873
35275,Cc1cccc2c1CN1CCc3cc(OCc4ccc(CO)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5727592
35276,O=C(C=Cc1ccccc1)Nc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35494578
35277,OCc1c[nH]c(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67230815
35278,Oc1cc2c(cc1O)C1Cc3cccc(-c4ccc(OCc5ccc[nH]5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59635437
35279,Oc1cccc2c1CN1CCc3cc(C4CC4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6784734
35280,CC(C)Oc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccc4)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.90195554
35281,CC=[SH](O)=Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57380897
35282,CCCOc1ccc(OC)c(CNC(=O)c2ccc(N(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.035551038
35283,CCCOc1ccc(OC=S(C)O)c(C=CCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.116121955
35284,CCCOc1ccc(OCn2ncc(-c3ccccc3)c2C)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0948892
35285,CCCOc1ccc(ON)c(N2CCC(c3cccc(C(F)(F)F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33399788
35286,CCCOc1ccc(ON=S(C)(=O)O)c(CCC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.041907948
35287,CCCOc1ccc(OOS(C)(=O)=O)c(Oc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22208126
35288,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(Oc3ccc4c(c3)NC(=O)CCC4)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39902863
35289,CCCOc1ccc(OS(C)(=O)=O)c(OC2CCc3cc(CC)c(OCC)cc3N2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32041535
35290,CCCOc1ccc(OSC)c(CN2CCCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7172633
35291,CCOC1CCN(CCN2CCN(c3ccccc3Oc3ccc4[nH]c(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78140527
35292,CCc1ccccc1N1CCN(CCN2CCC(c3ccno3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7987429
35293,CNCCOc1ccc(OC)c(CN2CCN(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6700513
35294,COC1CCN(CCN2CCN(c3ccccc3-c3cnc(C)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7092233
35295,COCCCN1CCN(Cc2cccc(-c3csc(-c4ccccc4)n3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56903905
35296,COCCCN1CCN(Cc2cccc(C3OCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6423659
35297,COCCCN1CCN(Cc2cccc(CNC(=O)C=Cc3ccco3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.41900432
35298,CONOc1ccc(OCCC(C)COc2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.089672245
35299,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(COC(C)=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46147096
35300,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(F)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.81744474
35301,COc1ccc(CC(=O)Nc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32967228
35302,COc1ccc(OCCC(=O)CCc2ccc(F)cc2)cc1NC(=O)Cc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.0051113535
35303,COc1ccc(OCCC2CCCC2Cc2ccc(OC3CCNC(=O)C3)cc2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.17676337
35304,COc1ccc(OCCCCCc2cccc3c2NC(=O)CC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.24585268
35305,COc1ccc(OCCCS(=O)(=O)c2ccc(F)c(F)c2)cc1C1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3865285
35306,COc1ccc(OCCF)cc1CNC(=O)c1cccc(C(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.019031554
35307,COc1ccc(OCCN2CCC(c3ccc(=O)n(CCCF)c3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.69522613
35308,COc1ccc(OCCc2c(F)cccc2OS(C)(=O)=O)cc1CN1CCC(SC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.39390248
35309,COc1cccc(CCCCN2CCN(Cc3cccc(C)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7489349
35310,COc1cccc(CN2CCN(CCCCc3cc(-c4ccccc4)cc(=O)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6773122
35311,COc1cccc2c1CN1CCc3cc(-c4cc([N+](=O)[O-])c[nH]4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5286962
35312,COc1cccc2c1CN1CCc3cc(OCc4cccc(Cl)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.616449
35313,Cc1cc(OCCCCCc2ccc(C3CCNC3=O)cc2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.120409
35314,Cc1cc(OCCN2CCC(c3ccc(C(F)(F)F)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6876039
35315,Cc1cc(OCCN2CCCC(Cc3ccc(F)cc3)C2)ccc1OCS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.37921548
35316,Cc1cc(OCCNCCCC2Cc3ccccc3CCN2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.34944558
35317,Cc1cc(OCCNCc2cccs2)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.14538248
35318,Cc1ccccc1N1CCN(CCN2CCC(CNc3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6702946
35319,ClC1CCN(CCN2CCN(c3ccccc3-c3cc4ccccc4s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7541658
35320,ClC1CCN(CCN2CCN(c3ccccc3Nc3ncc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.50390774
35321,Clc1ccccc1N1CCN(CCN2CCC(Cc3cc4ccccc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8394823
35322,Clc1ccccc1N1CCN(CCN2CCC(n3nccc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78924805
35323,O=C1C=C(c2ccccc2)C(=O)N1c1cccc(CN2CCN(CCC[N+](=O)[O-])CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46967113
35324,O=C1c2ccccc2NC(c2cccc(CN3CCN(CCCO)CC3)c2)N1c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55317247
35325,O=Cc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67938286
35326,OCc1cccc2c(Nc3cc4c(cc3Cl)C3Cc5cccc(O)c5CN3CC4)nccc12,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49559647
35327,CC(=O)NC1CCN(CCOc2ccc(OS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.52650017
35328,CC(O)c1cccc(-c2cccc3c2CN2CCc4cc(O)c(Cl)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66593224
35329,CCCOc1ccc(OF)c(CN2CCN(c3ccccc3Cl)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7787276
35330,CCCOc1ccc(ON)c(CCOc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13072522
35331,CCCOc1ccc(OOC)c(Cc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17535321
35332,CCCOc1ccc(OOC)c(N2CCC(O)(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29127073
35333,COC(=O)Oc1ccc(OCCN2CCN(c3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.41439155
35334,COC1CCN(CCN2CCN(c3ccccc3C(O)c3ccc4ncccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7008005
35335,COCCOc1ccc(ONC=CC2CCc3ccccc3C2=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22225408
35336,COCCOc1ccc(ONCCc2ccc3c(c2)CCC(=O)N3)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07232915
35337,COOc1ccc(OCCNCC2C(=O)CSc3ccccc3C2=O)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.111977816
35338,COc1cc(C(=O)NCCN2CCN(C)CC2)ccc1-c1ccc(C)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.15317866
35339,COc1cc2c(cc1F)CCN1Cc3c(cccc3OCc3ccco3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68933105
35340,COc1cc2c(cc1O)CCN1Cc3c(COC4CCC4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7887248
35341,COc1cc2c(cc1OC)C1Cc3cccc(CC(=O)Nc4ccc(C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.19637926
35342,COc1cc2c(cc1OC)C1Cc3cccc(COc4ccc(C=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6973583
35343,COc1cc2c(cc1OC)C1Cc3cccc(OC4CCCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7518288
35344,COc1ccc(-c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.749122
35345,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccccc1OC(F)(F)F,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31162697
35346,COc1ccc(OCCC(=O)COc2ccc3c(c2)NC(=O)CC3)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16058864
35347,COc1ccc(OCCC=O)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.749092
35348,COc1ccc(OCCCC(=O)Cc2ccc3c(c2)CC(=O)CC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.17972772
35349,COc1ccc(OCCCS(C)(=O)=O)cc1CCC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.33929393
35350,COc1ccc(OCCN2CCN(c3ccccc3OC(C)C)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.92982227
35351,COc1ccc(OCCNC(=O)Cc2cccc(C)c2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.01630127
35352,COc1ccc(OCCNCCc2ccc3c(c2)OC(=O)CC3)cc1NC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09998635
35353,COc1ccc(OCCNCCc2ccc3c(c2)OC(=O)CC3)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.23344596
35354,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31743944
35355,COc1ccc(OCCOS(C)(=O)=O)cc1CCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.124888405
35356,COc1ccc(OCCOS(C)(=O)=O)cc1CCOc1cccc(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.111600354
35357,COc1ccc(OCCS(C)(=O)=O)cc1C1CCCC(Cc2ccc(OC3CCC(=O)N3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.15098815
35358,COc1ccc(OCCS(N)(=O)=O)cc1CCOc1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06067106
35359,COc1cccc(CN2CCN(CCCc3ccccc3NC(=O)c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.27384084
35360,COc1ccccc1N1CCN(CCN2CCC(Oc3cc4nc(O)ccc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85270196
35361,COc1ccccc1N1CCN(CCN2CCC(c3cc(C#N)ccc3-c3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8910387
35362,COc1ccccc1N1CCN(Oc2ccc(OCCOS(C)(=O)=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24286078
35363,CSOc1ccc(OCCN2CCC(O)(c3ccc(S(C)(=O)=O)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.4395639
35364,Cc1cc(OCCC=Cc2ccccc2OC2CCNCC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.19103079
35365,Cc1cc(OCCN2CCC(c3ccccc3OC3CCCC3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.553402
35366,Cc1cc(OCCNC(=O)CCc2ccccc2)ccc1ON1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.03892796
35367,Cc1cc(OCCNCc2cccc(OCC(F)(F)F)c2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13127491
35368,Cc1cc(OCCNCc2ccccc2)ccc1ONS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.21923926
35369,Cc1cc(OCCNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.0901404
35370,Cc1cc(OCCNS(C)(=O)=O)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.061662223
35371,Cc1cc(OCCNS(C)(=O)=O)ccc1ONCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06959949
35372,Cc1cc(OCCc2cc(F)ccc2F)ccc1ON1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.42510384
35373,O=C(NCc1cccc(CN2CCN(CCCCl)CC2)c1)C1(c2ccccc2)CCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4778685
35374,O=C(Nc1cccc(CN2CCN(CCCCl)CC2)c1)C1Cc2ccccc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3965793
35375,O=C(Nc1ccncc1)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.53779274
35376,O=[N+]([O-])C1CCN(CCN2CCN(c3ccccc3-n3c(O)cc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6086767
35377,Oc1nc2cccc(F)c2n1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7978099
35378,CCCCN1CCN(Cc2cccc(C3Cc4ccccc4NC3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60903436
35379,CCCCn1cc(C2CCN(CCOc3ccc(OC)c(S(C)(=O)=O)c3)CC2)ccc1=O,[*]CCOc1ccc(O[*])c([*])c1,0.5753396
35380,CCCOc1ccc(OCNS(C)(=O)=O)c(NCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06796969
35381,CCCOc1ccc(ON2CCC(c3ccc(F)cc3)CC2)c(C(=O)NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18110628
35382,CCCOc1ccc(ON2CCN(C(C)=O)CC2)c(N2CCCC(Cc3ccc(F)c(F)c3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08647773
35383,CCCOc1ccc(OOC)c(N2CCCC(CCc3ccccc3OS)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3224888
35384,CCCOc1ccc(OS(C)(=O)=O)c(NCCCC2CCC3=CC=C(OC)C=CC2C3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23548953
35385,CCNC(=O)Oc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48473433
35386,CCOc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cc4ccc3CCc3ccc(cc3)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76565546
35387,COCCOc1ccc(OC=O)c(N2CCN(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27085477
35388,COc1cc(Cc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)ccc1C,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6448808
35389,COc1cc2c(cc1-c1ccc(CF)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70320386
35390,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7055084
35391,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(O[SH](C)(C)=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7083071
35392,COc1cc2c(cc1O)C1Cc3cccc(OCC=Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7487181
35393,COc1cc2c(cc1OC)C1Cc3cccc(C=Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.83287215
35394,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc(OC(C)=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46019322
35395,COc1ccc(-c2cccc3c2CN2CCc4cc(CO)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67604846
35396,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccsc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.24844524
35397,COc1ccc(CN2CCN(Oc3ccc(OCCF)cc3C)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.3692522
35398,COc1ccc(OCCCCCCc2ccc(F)cc2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.12374442
35399,COc1ccc(OCCCN2CCN(c3ccccc3)C2=O)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.4733128
35400,COc1ccc(OCCF)cc1CN1CCN(CC(C)=O)C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.11607029
35401,COc1ccc(OCCN2CCC(c3ccccc3)CC2)cc1O,[*]CCOc1ccc(O[*])c([*])c1,0.6676716
35402,COc1ccc(OCCN2CCCCC2)cc1OS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.3416839
35403,COc1ccc(OCCNS(=O)(=O)c2cccc(C(C)C)c2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08259629
35404,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(Cc2cccc3c2NC(=O)CCC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.32620442
35405,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24391684
35406,COc1ccc(OCC[SH](C)C)cc1N1CCCC(C(=O)c2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.21416725
35407,COc1cccc(CN2CCN(CCCCC=S(=O)(O)c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5399327
35408,COc1cccc(CN2CCN(CCCn3c(=O)n(-c4ccccc4)c(=O)c4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.50316554
35409,COc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.86106616
35410,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(-c4ccc(O)nc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.86453897
35411,CS(=O)(=O)c1cc(OCCF)ccc1ON1CCC(Oc2ccc(CC3CCCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21497814
35412,CSOc1ccc(OCCN2CCC(NS(=O)(=O)c3ccc(F)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6461515
35413,Cc1cc(OCCN2CCC(Cc3ccc4ccccc4c3)C2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.5188528
35414,Cc1cc(OCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.37384075
35415,Cc1cc(OCCN=S(C)(=O)O)ccc1OOC1CCN(Cc2ccc(CF)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.41968426
35416,Cc1cccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2Cl)c1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.25585496
35417,Cc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.686196
35418,Cc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccc(Cl)cc4)ccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7811904
35419,ClC1CCN(CCN2CCN(c3ccccc3CNc3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7519976
35420,FCCCN1CCN(Cc2cccc(-c3cccc(NC4CCCCC4)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3743519
35421,N#Cc1ccc(Cc2cc3c(cc2CO)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62524843
35422,O=Cc1cc2c(cc1O)C1Cc3cccc(-c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5921583
35423,Oc1cc2c(cc1Br)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69152015
35424,Oc1cc2c(cc1Cc1cccc(Cl)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6464405
35425,CC(C)(C)c1ccccc1N1CCN(CCN2CCC(n3cc(F)cnc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7367479
35426,CCCNC(=O)Nc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4412901
35427,CCCOc1ccc(OCN2c3ccccc3CCC2C)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33145496
35428,CCCOc1ccc(ON2CCC(C(O)c3ccccc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3289569
35429,CCCOc1ccc(ONS(C)(=O)=O)c(CN2CCC(C(=O)c3ccc(CC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3234408
35430,CCNC(=O)c1cccc(C2CCCN(CCOc3ccc(OC)c(SC)c3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40809456
35431,COC1CCN(CCN2CCN(c3ccccc3-n3ccc(-c4ccc(F)cc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.786225
35432,COCCCN1CCN(Cc2cccc(C3=C=C=CC(C=Cc4ccccc4)=C3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6469602
35433,COCCOc1ccc(OCNCCc2ccco2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.105784506
35434,COCCOc1ccc(ON2CCC(c3cc(C)on3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30494717
35435,CON1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(-c3coc(O)n3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.21832286
35436,CONCc1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.649878
35437,COc1cc2c(cc1O)C1Cc3cccc(Cc4cccc(NC(C)=O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34438905
35438,COc1cc2c(cc1O)C1Cc3cccc(NCc4ccc(C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46417603
35439,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cccc(C(F)(F)F)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7059569
35440,COc1cc2c(cc1OC(C)=O)C1Cc3cccc(F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5111639
35441,COc1ccc(OCCF)cc1CS(=O)(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.15940431
35442,COc1ccc(OCCN2CCCC(c3ccccc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.7011328
35443,COc1ccc(OCCN2CCN(c3cccc(Cl)c3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.8836309
35444,COc1ccc(OCCNC(=O)Cc2ccc3c(c2)NC(=O)CC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.0872583
35445,COc1ccc(OCCc2ccc(SC)cc2)cc1N1CCNC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.21571471
35446,COc1cccc(CN2CCN(CCCC3Oc4ccccc4NC3(C)C)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6114805
35447,COc1cccc(CN2CCN(CCCCn3ccc(C=O)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5979109
35448,COc1cccc(CN2CCN(CCCc3cc(O)nc4ccccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6186679
35449,COc1cccc2c1CN1CCc3cc(C#N)c(CO)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.633475
35450,COc1cccc2c1CN1CCc3cc(C)c(Oc4ccccn4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6469701
35451,COc1cccc2c1CN1CCc3cc(NC(=O)Nc4c(Cl)cccc4Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38638207
35452,COc1ccccc1-c1cc(C(=O)NCCN2CCN(Cl)CC2)ccc1F,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3769908
35453,COc1cccn(Cc2cccc(CN3CCN(CCCCl)CC3)c2)c1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51110286
35454,CSC1CCN(CCN2CCN(c3ccccc3-c3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.794108
35455,Cc1cc(OCCC(C)C)ccc1ONC(=O)Cc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.07446181
35456,Cc1cc(OCCCF)ccc1OCOc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.1438288
35457,Cc1cc(OCCCN2CCN(Cc3ccccc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5708934
35458,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCC4)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.69304866
35459,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCC4)SC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.46903217
35460,Cc1cc(OCCN2CCC(Oc3ccc4c(c3)CC(=O)CC4)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5838194
35461,Cc1cc(OCCN2CCCC(Cc3ccc(OC4CCCSC4)c(C)c3)C2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.29283506
35462,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCCC(Cc2ccc(OC3CCCC3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2181693
35463,ClC1CCN(CCN2CCN(c3ccccc3Oc3cc4ccccn4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81085503
35464,Fc1ccc(C2CCN(CCN3CCN(c4ccccc4F)CC3)CC2)nc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6899516
35465,Nc1cc2c(cc1CO)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67105967
35466,O=C(c1cccc(CN2CCN(CCCCl)CC2)c1)C1CC1c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5331961
35467,O=C1c2ccccc2CN1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.73883736
35468,O=C1c2ccccc2S(=O)(=O)N1Cc1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5970835
35469,O=c1oc(-c2ccccc2)cn1-c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6852683
35470,Oc1cccc2c1CN1CCc3cc(-c4cccc5cc[nH]c45)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67985964
35471,Oc1nc(-c2ccccc2)cn1C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81308585
35472,CC(=O)Cc1ccc2c(c1)CC(OOc1ccc(OCCNS(C)(=O)=O)cc1C)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.18696283
35473,CC(C)Oc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccc4)nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8393223
35474,CC=S(C)Oc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7886586
35475,CCCOc1ccc(OC)c(C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11776018
35476,CCCOc1ccc(OC2CCN(CCc3ccc4c(c3)NC(=O)CC4)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7506423
35477,CCCOc1ccc(OCN2CCN(Cc3cccs3)CC2)c(OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.334499
35478,CCCOc1ccc(ON2CCN(C)CC2)c(NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14511274
35479,CCCOc1ccc(ON=S(C)(=O)O)c(OC2=CC=CC3CNCCC(C2)C3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13322175
35480,CCCOc1ccc(ONS(C)(=O)=O)c(CCOc2ccc3c(c2)NCCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21536669
35481,CCCOc1ccc(OS(C)(=O)=O)c(C2CCCC(Cc3ccc(OC4CCCNC4)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21155001
35482,CCCOc1ccc(OS(N)(=O)=O)c(C(O)COc2ccc3ccccc3c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08729085
35483,CCCOc1ccc(OSC)c(NCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13811278
35484,CCOc1cc2c(cc1OC)CCN(Cc1cc(OCCN=S(C)(=O)O)ccc1OC)C2,[*]CCOc1ccc(O[*])c([*])c1,0.34242037
35485,CCc1ccccc1OC1CCN(Oc2ccc(OCCS(=O)(=O)N(C)C)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27021217
35486,CNc1cccc(CN2CCN(CCCCc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5170942
35487,COC1CCCCN1CCOc1ccc(ONS(=O)(=O)c2ccc(F)cc2)c(SC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24512276
35488,COC1CCN(CCN2CCN(c3ccccc3-c3ccn[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8560005
35489,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4ccc(C(F)(F)F)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69294137
35490,COCCOc1ccc(OC)c(N2CCC(C(=O)Nc3ccc(F)cc3F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.114262275
35491,COCCOc1ccc(OC)c(N2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39811522
35492,COCc1cc2c(cc1OC)CCN1Cc3c(cccc3-c3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62918514
35493,COOc1cccc2c1CN1CCc3cc(Cc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77288204
35494,COc1cc2c(cc1Cl)CCN1Cc3c(cccc3-c3ccc(C)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5251604
35495,COc1cc2c(cc1O)C1Cc3cccc(Oc4cccc(CO)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7000357
35496,COc1cc2c(cc1O)CCN1Cc3c(cccc3NC(=O)c3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3159153
35497,COc1cc2c(cc1OC)C1Cc3cccc(COCc4ccc([N+](=O)[O-])cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55314773
35498,COc1ccc(-c2cccc3c2CN2CCc4cc(Cl)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6499055
35499,COc1ccc(OCCCC2CCC(=O)Nc3cccc(c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2032443
35500,COc1ccc(OCCCCCc2ccc3c(c2)NC(=O)CCC3)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.23765326
35501,COc1ccc(OCCN2CCC(NCc3ccccc3)C2=O)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.3322171
35502,COc1ccc(OCCN2CCC(Oc3ccc4c(c3)NC(=O)CC4)CC2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6370977
35503,COc1ccc(OCCNCCCc2ccccc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.2462533
35504,COc1ccc(OCCNS(=O)(=O)c2ccccc2OCC(F)(F)F)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.09621474
35505,COc1ccccc1N1CCN(CCN2CCC(CNS(=O)(=O)c3ccc4cccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8290849
35506,COc1ccccc1N1CCN(CCOc2ccc(OS(N)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7609423
35507,Cc1cc(OCCCCSc2ccc(C(=O)N3CCNCC3)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.089954995
35508,Cc1cc(OCCN2CCN(Cc3cccc(S(C)(=O)=O)c3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.34593534
35509,Cc1cc(OCCNC(=O)c2ccc(F)cc2)ccc1ONCC1CCN(C)C1,[*]CCOc1ccc(O[*])c([*])c1,0.16372693
35510,Cc1cccc2c1CN1CCc3cc(-c4cc(F)cc(F)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6589179
35511,Cc1ccccc1N1CCN(CCN2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6215984
35512,O=C(NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)c1ccccc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8788264
35513,O=C1C=C(CCCN2CCN(Cc3cccc(Cl)c3)CC2)OC1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67182213
35514,O=[N+]([O-])c1ccc(COc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50795627
35515,OC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4cccnc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7092336
35516,OCc1ccc2c(Cc3cccc4c3CN3CCc5cc(O)c(O)cc5C3C4)cccc2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65583557
35517,Oc1c2ccccc2c(O)n1-c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69563687
35518,CC(=O)S(=O)(=O)OOc1ccc(OCCNCCc2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.10414798
35519,CC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccc(O)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.40256307
35520,CC=S(=O)(O)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5432716
35521,CCCOc1ccc(OC(=O)O)c(CN2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.59517044
35522,CCCOc1ccc(ON2CCOC(Cc3ccccc3)C2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39104822
35523,CCCOc1ccc(ONCCc2ccc3c(c2)CCC(=O)N3)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10455175
35524,CCCOc1ccc(OS(C)(=O)=O)c(C(=O)Cc2ccc3c(c2)NC(C)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24740377
35525,CCOCCCN1CCN(Cc2cccc(NS(=O)(=O)c3cc4ccccc4s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.40325582
35526,CCOc1cc(F)ccc1Cc1cc(OCCC(C)=O)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.032585636
35527,CCOc1ccccc1N1CCN(CCN2CCC(CNc3ccccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5399429
35528,CN(c1cccc(CN2CCN(CCCCl)CC2)c1)S(=O)(=O)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57420623
35529,COC1CCN(CCN2CCN(c3ccccc3-c3ccnc(N4CCC4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7309484
35530,COCc1cc2c(cc1CNc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39363685
35531,COc1cc2c(cc1CN)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8153744
35532,COc1cc2c(cc1O)C1Cc3cccc(CN(C)Cc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7807998
35533,COc1cc2c(cc1O)C1Cc3cccc(CN(OCc4ccccc4)C(C)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51459825
35534,COc1ccc(-c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cn1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60606825
35535,COc1ccc(OCCCCCc2ccc3c(c2)NC(=O)CC3)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.269574
35536,COc1ccc(OCCN2CCC(Oc3ccc4c(c3)NC(=O)CCS4)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.48899403
35537,COc1ccc(OCCN2CCN(c3ccccc3OC)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6979204
35538,COc1ccc(OCCNCCc2cccs2)cc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.19464839
35539,COc1ccc(OCCNCc2ccc(OC3CCNCC3)cc2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2273757
35540,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(Cc2ccc(OC3CCCC3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2417715
35541,COc1ccc(Oc2ccc(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)cc2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7823905
35542,COc1cccc(CN2CCN(CCCCC=Cc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.73530537
35543,COc1cccc(CN2CCN(CCCCNS(=O)(=O)c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55492
35544,COc1cccc(CN2CCN(CCCc3cccc4ccc(C(N)=O)cc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49735898
35545,COc1ccccc1N1CCN(CCN2CCC(Oc3ccc4scnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8659439
35546,COc1ccccc1N1CCN(CCN2CCC(c3ccccc3-c3ccc(O)n3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66428363
35547,COc1ccccc1N1CCN(CCOc2ccc(OS(=O)C(F)(F)F)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.77564275
35548,CSc1ccc(CN2CCCC(C(=O)NOc3ccc(OCCF)cc3C)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.17168581
35549,Cc1cc(OCCCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)ccc1OCCCc1cccnc1,[*]CCOc1ccc(O[*])c([*])c1,0.7831573
35550,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6577556
35551,Cc1cc(OCCN2CCC(Oc3ccc(CC4CCCCN4)cc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.50327665
35552,Cc1cc(OCCNC(=O)Cc2ccccc2)ccc1ON1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.04334175
35553,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(Cc2ccc(OC3CCCCN3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1562795
35554,Cc1cc(OCCOC(=O)CCc2ccccc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.029882057
35555,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCN(CCc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.44579777
35556,Cc1cc2c(cc1O)C1Cc3cccc(Cc4cccc([N+](=O)[O-])c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43891725
35557,Cc1cccc2c1CN1CCc3cc(N)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6400728
35558,ClCCCN1CCN(Cc2cccc(CC3CCCCC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6675715
35559,N#Cc1ccc(COCc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7819119
35560,N#Cc1ccccc1N1CCN(CCN2CCC(COc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8386451
35561,O=C(Nc1cccc(CN2CCN(CCCOc3ccccc3)CC2)c1)c1ccco1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.2959407
35562,O=c1c(-c2cccc(CN3CCN(CCCC(F)(F)F)CC3)c2)cccc2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5763975
35563,OCc1[nH]ccc1-c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6434328
35564,Oc1cc2c(cc1C1=NOCCC1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5701806
35565,Oc1cccc(-c2cccc(-c3ccccc3N3CCN(CCN4CCC(O)CC4)CC3)c2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7126928
35566,CC(=O)c1ccc(S(=O)(=O)CCCOc2ccc(ON)c(C)c2)c(Cl)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03853852
35567,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccccc4)ccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8372786
35568,CC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.62049586
35569,CCCOc1ccc(OCN2CCN(c3cccc(CC(F)(F)F)c3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.61882746
35570,CCCOc1ccc(OCN2CCN(c3ccccc3OCC)CC2)c(C(=O)OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.53656995
35571,CCCOc1ccc(ON=S(C)(=O)O)c(Nc2ccc(CC(C)=O)nc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03570364
35572,CCCOc1ccc(ONCCc2cccc3ccc(F)cc23)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09941742
35573,CCCOc1ccc(ONS(C)(=O)=O)c(C2CCN(CCc3ccc(C(C)=O)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.52465576
35574,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(Cc3ccc(CC4CCCC(=O)N4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28555813
35575,CCCOc1ccc(ONc2ccccc2OCCF)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13062988
35576,CCCOc1ccc(OOC)c(N2CCCN(c3ccccc3C(C)=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14313099
35577,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)COc2cccc(F)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.00776008
35578,CCCOc1ccc(OSC)c(N2CCN(C3=C(CCC)CC=CC=C3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29802084
35579,CCCc1ccc(C(=O)NOc2ccc(OCCCF)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.03611548
35580,CCNCc1cccc2c1CN1CCc3cc(Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68371415
35581,CCNc1cccc(Cc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5429397
35582,CCOc1ccccc1N1CCN(CCN2CCC(Cc3cc4ccccc4nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7130631
35583,CN1CCN(CCNC(=O)c2ccc(S(C)(=O)=O)c(-c3ccc(O)o3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.18541771
35584,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccnc(F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.63140994
35585,COC1CCN(CCN2CCN(c3ccccc3Cc3ccc4nc(O)ccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6681554
35586,COC1CCN(COc2ccc(OCCc3ccc(OCC(F)(F)F)cc3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.49499583
35587,COCCCN1CCN(Cc2cccc(Oc3ccc4ccccc4n3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5262507
35588,COOc1ccc(OCCN2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5786357
35589,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc5cc(C#N)ccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5898162
35590,COc1cc2c(cc1O)C1Cc3cccc(OC(C)(F)F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.87608844
35591,COc1cc2c(cc1O)CCN1Cc3c(Cc4cc(C#N)ccc4CO)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66523427
35592,COc1cc2c(cc1OC)C1Cc3cccc(-c4cc(C)ccc4C=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6505818
35593,COc1cc2c(cc1OC)C1Cc3cccc(CCNC(C)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47017872
35594,COc1cc2c(cc1OC)C1Cc3cccc(OC(=O)Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46048167
35595,COc1cc2c(cc1OCc1ccc(CO)cc1)CCN1Cc3c(Cc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64850354
35596,COc1ccc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)cc1C=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.93089163
35597,COc1ccc(OCCCN=S(C)(=O)O)cc1NCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.07079499
35598,COc1ccc(OCCN2CCC(Nc3ccc(C(C)=O)cc3Cl)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.46122748
35599,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(F)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.16606075
35600,COc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67057073
35601,COc1cccc2c1CN1CCc3cc(-c4cc(C)cs4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66269064
35602,COc1cccc2c1CN1CCc3cc(-c4cc5ccccc5[nH]4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6928227
35603,COc1cccc2c1CN1CCc3cc(Cc4ccc5ccccc5c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6990353
35604,COc1ccccc1N1CCN(CCN2CCC(C(N)c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84395766
35605,CSOc1ccc(OCCNC(=O)COc2cccc(C)c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.022058705
35606,CSc1ccc2c(c1)CC(CNOc1ccc(OCCNS(C)(=O)=O)cc1C)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.33725458
35607,Cc1cc(OCCCN2CCC(C(=O)c3ccc(F)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.615692
35608,Cc1cc(OCCN2CCC(c3ccc(F)cc3)C2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.57957774
35609,Cc1cc(OCCN2CCCC(C(=O)c3ccc(F)cc3)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3181657
35610,Cc1cc(OCCN=S(C)(=O)O)ccc1OCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.09007064
35611,Cc1cc(OCCNCc2ccc(OC3CCNCC3)cc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.20016094
35612,Cc1cc(OCCNS(C)(=O)=O)ccc1OCC(=O)Cc1ccc2c(c1)CCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.06556237
35613,Cc1ccccc1N1CCN(CCN2CCC(Nc3cc4ccccc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6830678
35614,FC1CCN(CCN2CCN(c3ccccc3-c3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77613896
35615,O=C(NCCCCCN1CCN(Cc2cccc(Cl)c2)CC1)c1cccs1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62799627
35616,O=C1C(CCCN2CCN(Cc3cccc(O)c3)CC2)=Cc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5451311
35617,CC(C)c1ccccc1N1CCN(CCN2CCC(C(=O)NCc3ccc(C#N)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64887613
35618,CCCOc1ccc(OCN2CCC(c3cccc(OC)c3)CC2)c(N)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6602378
35619,CCCOc1ccc(ONS(C)(=O)=O)c(NCCc2ccc3c(c2)NC(=O)CCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17319927
35620,CCCOc1ccc(OS(N)(=O)=O)c(NCCCc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09931838
35621,CCCOc1ccccc1CCOc1ccc(ON=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15538728
35622,CCOC(=O)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4189152
35623,CCOC1CCN(CCN2CCN(c3ccccc3-c3ccc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7045016
35624,CCOC1CCN(CCN2CCN(c3ccccc3COc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7050574
35625,CCc1cccc2c1CN1CCc3cc(OC)c(OC(C)=O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5690891
35626,CNC(=O)CCOc1ccc(OC)c(N2CCCC(Cc3ccc(OC4CCCCC4)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10383972
35627,COC(=O)NOc1ccc(OCCCN2CCN(c3ccccc3OCCF)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.78247243
35628,COCCCN1CCN(Cc2cccc(-c3cc4cccc(OC)c4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5768012
35629,COCCOc1ccc(OCCCc2ccc3c(c2)NC(=O)CC3)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23094039
35630,COOc1ccc(OCCCOc2cccc(F)c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.12700279
35631,COOc1ccc(OCCc2ccc(F)c(OC)c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.07029522
35632,COc1cc(C)ccc1-c1ccc(C(=O)NCCN2CCN(OC)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.17794001
35633,COc1cc2c(cc1O)CCN1Cc3c(CCNC4CCCCC4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5946329
35634,COc1cc2c(cc1O)CCN1Cc3c(Cc4cccc(N)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7114238
35635,COc1cc2c(cc1O)CCN1Cc3c(cccc3OC(C)c3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6486182
35636,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3ccc(C)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56892717
35637,COc1ccc(C(=O)NCCN2CCN(c3ccccc3Cl)CC2)cc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.84842587
35638,COc1ccc(COc2cccc3c2CN2CCc4cc(Cl)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64384586
35639,COc1ccc(OCCF)cc1CSCc1ccc(S(C)(=O)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06194584
35640,COc1ccc(OCCN2CCC(Oc3ccc(Cl)cc3)CC2)cc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.6342545
35641,COc1ccc(OCCN2CCC(c3cccc(C(C)=O)c3)CC2)cc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.6626064
35642,COc1ccc(OCCNC(=O)c2ccc(-c3ccccc3)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.046731066
35643,COc1ccc(OCCc2ccc(C3CCCNC3)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.18405144
35644,COc1ccc(OCCc2ccc(SC)cc2)cc1S(=O)(=O)N(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.08412061
35645,COc1cccc(CNCc2cccc3c2CN2CCc4cc(Cl)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5862551
35646,COc1cccc(COc2cccc3c2CN2CCc4cc(CO)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6315808
35647,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(O)CC2)cc1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.34655532
35648,COc1ccccc1N1CCN(CCN2CCC(c3ccc(O)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8270984
35649,COc1ccccc1S(=O)(=O)NC1CCN(CCN2CCN(c3ccccc3C(C)C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6868493
35650,CSC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.63599116
35651,CSOc1ccc(OCCNCCc2ccc3ccccc3c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.25532904
35652,CSc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ncco4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71692926
35653,Cc1cc(OCCN(C)Cc2ccccc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13542396
35654,Cc1cc(OCCN2CCC(Cc3ccc4cccccc-4c3=O)C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.35747808
35655,Cc1cc(OCCN2CCC(c3ccccc3)CC2)ccc1OOC=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.52511847
35656,Cc1cc(OCCN=S(C)(=O)O)ccc1OCN1CCCC(c2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.30465832
35657,Cc1cc(OCCN=S(C)(=O)O)ccc1ONC(=O)CCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.061362714
35658,FC(F)(F)Oc1ccccc1N1CCN(CCN2CCC(c3cccc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7564558
35659,Fc1cccc(CN2CCN(CCCC3CCCCC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6890756
35660,N#Cc1ccc2ccccc2c1-c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6151859
35661,O=C(NCCCCCN1CCN(Cc2cccc(Cl)c2)CC1)c1cc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6629979
35662,O=c1ccc2cccc(CCCN3CCN(Cc4cccc(OCCF)c4)CC3)c2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54759437
35663,Oc1cc2c(cc1Cc1ccc3[nH]ccc3c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71009034
35664,Oc1cc2c(cc1Cc1ccccc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73608357
35665,Oc1cc2c(cc1O)C1Cc3cccc(-c4ccc[nH]4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65102005
35666,Oc1cccc2c1CCOC2c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5633307
35667,Oc1cccc2c1CN1CCc3cc(-c4cc[nH]n4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58255005
35668,[O-]C(O)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65675616
35669,CC1Cc2ccccc2N1C(=O)c1cccc(CN2CCN(CCCOC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72846013
35670,CCCOc1ccc(OC(=O)COc2ccccc2)c(NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.026189106
35671,CCCOc1ccc(OCc2ccccc2)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7948904
35672,CCCOc1ccc(OF)c(CNCC2CCC(c3ccc(OC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16135238
35673,CCCOc1ccc(ON(C)C)c(CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.092174664
35674,CCCOc1ccc(OSC)c(N2CCN(c3cccc(F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37009108
35675,CCc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7501341
35676,COC(=O)C1CCc2ccccc2N1CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4776723
35677,COC1CCN(CCN2CCN(c3ccccc3C(=O)Oc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6661085
35678,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccc4ncccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4046003
35679,COCCOc1ccc(OC)c(N2CCN(c3cccc(C(C)C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32320422
35680,CON1CCN(CCNC(=O)c2ccc(C)c(-c3ccccn3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32784873
35681,COOc1ccc(OCCN2CCC(Oc3ccccc3C=O)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5663575
35682,COOc1ccc(OCCc2ccc(F)cc2)cc1CC1CCN(C(C)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.11865407
35683,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)NCc4ccc([N+](=O)[O-])cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36640403
35684,COc1cc2c(cc1OC)C1Cc3cccc(Cn4cccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7346785
35685,COc1cc2c(cc1OC)C1Cc3cccc(OC(=O)NCc4cccc(C)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.33002666
35686,COc1ccc(-c2cc(C(=O)NCCN3CCN(C(C)=O)CC3)ccc2C)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.15949982
35687,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1cccc([O-])c1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26870397
35688,COc1ccc(CC2CCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.6095102
35689,COc1ccc(CNc2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4457771
35690,COc1ccc(OCCN2CCC(OC3CCCCC3)=CC=C3C=CC3CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5437835
35691,COc1ccc(OCCNC(=O)Cc2ccc3c(c2)CC(=O)CC3)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.050869115
35692,COc1ccc(OCCNC(C)=O)cc1CSN1C(=O)CCc2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.07286981
35693,COc1ccc(OCCNS(C)(=O)=O)cc1CCCc1ccc2c(c1)CCC(=O)C2,[*]CCOc1ccc(O[*])c([*])c1,0.19112696
35694,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCN(CCc2ccc(SC)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.52286655
35695,COc1ccc(OCCOS(C)(=O)=O)cc1C1CCN(CCc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.70737
35696,COc1ccc(OCCOS(C)(=O)=O)cc1CCOc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.10086501
35697,COc1ccc(OCCSC)cc1CCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.17050983
35698,COc1ccc(OCCc2ccc(OCCF)cc2)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7543994
35699,COc1ccc2ccc(CC3CCNN(CCOc4ccc(ONS(C)(=O)=O)c(C)c4)C3)cc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.156149
35700,COc1cccnc1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80570734
35701,CSOc1ccc(OCCCCCc2ccc3c(c2)NC(=O)CCC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.1834071
35702,CSOc1ccc(OCCNC(=O)COc2ccc3c(c2)NC(=O)C(C)C3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.07785962
35703,Cc1cc(OCCCCOc2ccc(F)cc2)ccc1ON1CCOCC1,[*]CCOc1ccc(O[*])c([*])c1,0.18650435
35704,Cc1cc(OCCCN=S(C)(=O)O)ccc1ON1CCC(c2ccccc2C=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21800783
35705,Cc1cc(OCCF)ccc1ON1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18965767
35706,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)CCCC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.021270532
35707,Cc1cc(OCCS(=O)(=O)C2CCCC2)ccc1ON1CCC(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19601922
35708,Cc1ccc(N2CCN(COc3ccc(OCCCF)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.33065128
35709,Cc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3ccc4cccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6218064
35710,ClC1CCN(CCN2CCN(c3ccccc3Oc3ccc(-c4nccs4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82300806
35711,Clc1ccccc1N1CCN(CCN2CCC(c3nnc(-c4ccccc4)s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8284106
35712,FCCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68996775
35713,Fc1ccc(-c2csc(CCCCN3CCN(Cc4cccc(F)c4)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7036394
35714,O=C1C(=O)N(c2cccc(CN3CCN(CCCF)CC3)c2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65323806
35715,O=C1c2ccccc2CC1CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.71268636
35716,Oc1ccc(F)cc1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7615511
35717,CC(=O)NOc1ccc(OCCC(O)CCc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.08862438
35718,CC1CCN(CCN2CCN(c3ccccc3-c3ncc(O)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7328127
35719,CCCOc1ccc(OC)c(N2CCN(CC(=O)c3ccc(SC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2533653
35720,CCCOc1ccc(OF)c(CNC(=O)c2cccc(N3CCN(C)C3=O)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20596577
35721,CCCOc1ccc(ON2CCN(C(C)=O)CC2)c(CNC(=O)c2ccc3ccccc3c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05544913
35722,CCCOc1ccc(OS(C)(=O)=O)c(N2C(=O)CCc3cc(CC4CCCC4)ccc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18703625
35723,CCOc1ccccc1N1CCN(CCN2CCC(Oc3ccc4nc(O)[nH]c4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72935516
35724,COC(=O)[N+](=O)c1ccc(Cc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3703372
35725,COC1CCN(CCN2CCN(c3ccccc3-c3cnc(-c4ccccc4)o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7175332
35726,COC1CCN(CCN2CCN(c3ccccc3Cc3cccc(O)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76481664
35727,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4c(c3)OCCC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79540175
35728,COCCCN1CCN(Cc2cccc(CNC(=O)Nc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3029647
35729,COCCOc1ccc(OC)c(C(C)COc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09639453
35730,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccc[nH]1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27727914
35731,COc1cc2c(cc1NC(C)c1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48107734
35732,COc1cc2c(cc1O)CCN1Cc3c(COCc4ccc(N(C)C)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.802688
35733,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(OC)c(C#N)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74201304
35734,COc1cc2c(cc1OC)C1Cc3cccc(S(=O)(=O)C(F)(F)F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71403325
35735,COc1ccc(C(F)(F)F)cc1Oc1cc2c(cc1OC)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7520875
35736,COc1ccc(OCCNS(C)(=O)=O)cc1NC(=O)COc1cc(C)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.0066852258
35737,COc1ccc(OCCS(C)(=O)=O)cc1CC(C)COc1ccc2c(c1)NCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.26514632
35738,COc1cccc(CN2CCN(CCCc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6772962
35739,COc1cccc(COc2cccc3c2CN2CCc4cc(-c5cccc(OC)c5)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5851267
35740,COc1cccc2c1CN1CCc3cc(-c4cccc(CN(C)C)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7268393
35741,COc1ccccc1-c1cc(C(=O)NCCN2CCN(O[O-])CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3400002
35742,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7748298
35743,CS(=O)(=O)NOc1ccc(OCCCF)cc1CNCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.07890699
35744,CSOc1ccc(OCCCC(=O)COc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.11221397
35745,CSc1ccc(C2CCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.6347155
35746,CSc1ccccc1N1CCN(CCN2CCC(Cc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7349613
35747,Cc1cc(O)n(-c2cccc(CN3CCN(CCCOC(F)(F)F)CC3)c2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51542157
35748,Cc1cc(OCCC(=O)COc2ccc3c(c2)NC(=O)CC3)ccc1ON(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.116012335
35749,Cc1cc(OCCCN=S(C)(=O)O)ccc1OCCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.22038591
35750,Cc1cc(OCCN2CCC(Oc3ccc4c(c3)NC(=O)CCS4)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.505864
35751,Cc1cc(OCCN2CCC(S(=O)(=O)c3ccccc3F)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6285159
35752,Cc1cc(OCCN2CCC(c3ccccc3)CC2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.6423414
35753,Cc1cc(OCCNCCc2cc3ccccc3s2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.18438995
35754,Cc1cc(OCCNCc2ccccc2)ccc1ON=S(=O)(O)O,[*]CCOc1ccc(O[*])c([*])c1,0.2400759
35755,Cc1cc2c(cc1O)C1Cc3cccc(C#Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6826433
35756,Cc1ccccc1N1CCN(CCN2CCC(c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71982855
35757,FCc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7005862
35758,O=C(Nc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2)Nc1ccccc1F,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.31102824
35759,O=C1c2ccccc2C(=O)N1Cc1cccc(CN2CCN(CCC[N+](=O)[O-])CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5025713
35760,O=C1c2ccccc2CCC1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69321924
35761,O=Cc1cccc2c1CN1CCc3cc(Br)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.679014
35762,Oc1cc2c(cc1C(O)c1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6589332
35763,Oc1cc2c(cc1Cc1ccc[nH]1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6703481
35764,Oc1nc(C2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)c2ccccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74275494
35765,C#Cc1cccc(OCc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6798878
35766,CC1CCN(CCN2CCN(c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66941583
35767,CCCCN1CCN(Cc2cccc(COc3ccc4c(c3)NC(=O)CC4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65059376
35768,CCCOc1ccc(ON)c(N2CCCN(c3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2781905
35769,CCCOc1ccc(OOC)c(CNC(=O)c2ccc(N3CCCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.085204996
35770,CCCOc1ccc(OS(C)(=O)=O)c(C2=CC=C3CCCCC3(CC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.102317594
35771,CCCOc1ccc(OS(C)(=O)=O)c(CC2c3ccccc3CCC2CCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39295933
35772,CCCOc1ccc(OS(C)(=O)=O)c(NCC2CCCc3c(F)cccc3C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24785268
35773,CCCOc1ccc(OS(N)(=O)=O)c(OC(=O)Cc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18492632
35774,CCCOc1ccc(OSC)c(-c2cccc(OCC(F)(F)F)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12944418
35775,CCCc1ccccc1N1CCN(CCOc2ccc(OC)c(SC)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.70158803
35776,COC1CCN(CCN2CCN(c3ccccc3-n3ccc(C)c3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72051114
35777,COC1CCN(CCN2CCN(c3ccccc3CC3CCc4ccc(O)cc4O3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7194363
35778,COCCCN1CCN(Cc2cccc(-c3cc4ccc(OC)cc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5665129
35779,COCCCN1CCN(Cc2cccc(-c3cccc(-c4ccc(F)cc4)n3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57230467
35780,COCCCN1CCN(Cc2cccc(-c3cccc4c3NC(=O)C(C)(C)O4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.43672177
35781,COCCCN1CCN(Cc2cccc(CNC(=O)c3cc4ccc3CCc3ccc(cc3)CC4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5844526
35782,COCCOc1ccc(OC)c(CN2CCN(Cc3coc4ccccc34)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.54540306
35783,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)Nc3cccc(Cl)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35636038
35784,COc1cc2c(cc1OC(C)C)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78281534
35785,COc1cc2c(cc1OC)C1Cc3cccc(CCN)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.879986
35786,COc1cc2c(cc1OCc1cccc(C)c1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6319602
35787,COc1ccc(OCCCOc2ccc(F)cc2)cc1N1CCCC(S(=O)(=O)O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.21190347
35788,COc1ccc(OCCCS(=O)(=O)c2ccccc2)cc1CSCC1CCCCN1,[*]CCOc1ccc(O[*])c([*])c1,0.15164478
35789,COc1ccc(OCCN=S(C)(=O)O)cc1CNCCc1ccco1,[*]CCOc1ccc(O[*])c([*])c1,0.03210052
35790,COc1ccc(OCCNS(=O)(=O)c2cc(C(C)=O)ccc2C(C)C)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.025225272
35791,COc1ccc(OCCSC)cc1CCCc1ccc2c(c1)CCC(=O)N2,[*]CCOc1ccc(O[*])c([*])c1,0.22060132
35792,COc1ccc2cc(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)ccc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71513045
35793,COc1ccc2ccc(CC3CCN(CCOc4ccc(OC)c(S(C)(=O)=O)c4)CC3)cc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.42246878
35794,COc1cccc(CN2CCN(CCCCc3ccco3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65191907
35795,COc1cccc2c1CN1CCc3cc(O)c(Cc4cccc(Cl)c4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5422386
35796,COc1cccc2c1CN1CCc3cc(OC(=O)c4ccc(-c5ccccc5)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4315368
35797,CS(=O)(=O)c1cc(OCCNC(=O)COc2ccc3c(c2)CCNC3)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.113730006
35798,CSOc1ccc(OCCN2CCC(Oc3ccc(SC)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.55940974
35799,CSOc1cccc(CN2CCN(CCCCC(=O)c3nc4ccccc4s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56960106
35800,Cc1cc(OCCN2CCC(Oc3cc4ccc(=O)oc4cc3C)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.44370002
35801,Cc1cc(OCCNCc2ccccc2)ccc1ON=S(N)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.22977531
35802,Cc1cc(OCCNCc2cccs2)ccc1ON=S(=O)(O)O,[*]CCOc1ccc(O[*])c([*])c1,0.086918645
35803,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(Oc2ccccc2CCF)C1,[*]CCOc1ccc(O[*])c([*])c1,0.30935177
35804,Cc1cc(OCCO)ccc1ON1CCN(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23998007
35805,Cc1cc(OCCS(C)(=O)=O)ccc1OCN1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3547458
35806,Fc1ccc(CCCCN2CCN(Cc3cccc(F)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7469362
35807,O=C(NCC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)c1ccc2ccccc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8610401
35808,O=C(Nc1cccc(CN2CCN(CCCCl)CC2)c1)C1(c2ccccc2)CCOC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.16660646
35809,O=C(Nc1cccc(CN2CCN(CCCCl)CC2)c1)C1Cc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4085968
35810,O=S(O)c1cccc(CN2CCN(CCCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7094192
35811,OCc1cccc(CN2CCN(CCCCc3ccc4ccccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7556196
35812,Oc1ccc(C(O)c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64684826
35813,CC(C)Oc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cccc(F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.89442545
35814,CC1(C(=O)CCCN2CCN(Cc3cccc(Cl)c3)CC2)CCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66965914
35815,CC1CCN(CCN2CCN(c3ccccc3Oc3cccnn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80451924
35816,CCCOc1ccc(OC)c(CN2CCN(C=O)CC2C(=O)c2ccc(SC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16358003
35817,CCCOc1ccc(OC)c(NC(=O)c2ccc(C(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.02027266
35818,CCCOc1ccc(OOC)c(C2CCCC(c3ccccc3OC)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.294416
35819,CCCOc1ccc(OS(C)(=O)=O)c(OCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12651537
35820,CCCOc1ccc(OSC)c(NC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.026348926
35821,CCCSc1cc(CCCOc2ccc(OC)c(S(C)(=O)=O)c2)ccc1OC1CCCN1C,[*]CCOc1ccc(O[*])c([*])c1,0.19322383
35822,CCN(C)Cc1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7865612
35823,CCOC(=O)NC=Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39307484
35824,CCc1ccccc1N1CCN(CCOc2ccc(OC)c(C(=O)N=S(C)(=O)O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7275741
35825,CNC(=O)CCOc1ccc(OC)c(N2CCCC(Cc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1454661
35826,CNC(=O)Cc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36822408
35827,CNCCOc1ccc(OC)c(CC2CCc3ccc(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5176113
35828,COC(=O)c1cccc(Cc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42900175
35829,COC1CCN(CCN2CCN(c3ccccc3NC(=O)C=Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4115206
35830,COCCCN1CCN(Cc2cccc(C3CCc4c(O)cccc4C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5609225
35831,COc1cc2c(cc1Cc1cccc(C)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7072451
35832,COc1cc2c(cc1O)C1Cc3cccc(C(C)(C)[O-])c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7322737
35833,COc1cc2c(cc1OC)C1Cc3cccc(-c4cccc(OC(F)(F)F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52079916
35834,COc1cc2c(cc1OC)C1Cc3cccc(Cc4cc5ccccc5o4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66426337
35835,COc1ccc(OCCC(C)=O)cc1N1CCN(c2ccccc2OCCF)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29731837
35836,COc1ccc(OCCCN=S(C)(=O)O)cc1N1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25115135
35837,COc1ccc(OCCCS(N)(=O)=O)cc1N1CCC(Oc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3155596
35838,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(Oc2ccc(CC3CCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18976055
35839,COc1ccc(OCCNC(C)c2ccccc2)cc1CC(=O)Nc1ccccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.020463832
35840,COc1ccc(OCCNS(=O)(=O)c2ccccc2F)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.11855842
35841,COc1ccc(OCCc2cccc(OCC(F)(F)F)c2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1068885
35842,COc1cccc(CN2CCN(CCCCc3cccc(C)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7075159
35843,COc1cccc(CN2CCN(CCCN3C(=O)C(=O)c4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6112891
35844,COc1cccc(CN2CCN(CCCN3C(=O)C(C)c4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5323949
35845,COc1cccc(CN2CCN(CCCN=Cc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6175502
35846,COc1cccc(CNCCOc2ccc(OC)c(S(C)(=O)=O)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16886526
35847,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3c(Br)ccc(OC)c3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80940896
35848,COc1ccccc1N1CCN(CCN2CCC(c3ccc(-n4cccn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8140633
35849,CSc1ccccc1N1CCN(Oc2ccc(OCCNCc3ccc(F)cc3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.34340757
35850,Cc1cc(OCCCl)ccc1ON1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.43012482
35851,Cc1cc(OCCF)ccc1OCN1CCN(C=S(=O)(O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18043546
35852,Cc1cc(OCCN2CCC(Oc3ccc(Br)cc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.47035435
35853,Cc1cc(OCCN=S(C)(=O)O)ccc1OCCCc1ccc(C2CCOCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.11009552
35854,Cc1cc(OCCNS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.049601853
35855,Cc1cc2c(cc1C)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.747788
35856,Cc1ccc(OCC(=O)NCCOc2ccc(OS(C)(=O)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.024189517
35857,Fc1ccccc1N1CCN(CCN2CCC(n3cccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6443918
35858,O=C(NCc1cccc(CN2CCN(CCCCl)CC2)c1)c1ccc2ccccc2n1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5054359
35859,O=C(NCc1ccccc1)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39084563
35860,O=C(Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2)Nc1ccccc1Cl,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.37132287
35861,O=C(c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)C1CCCCC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6036954
35862,Oc1cc2c(cc1O)C1Cc3cccc(-c4ccc5c(c4)OCO5)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6028664
35863,c1ccc(CCCN2CCN(Cc3cccc(-c4ccc5c(c4)Cc4ccccc4-5)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72871524
35864,CC(=O)c1ccc(CCN2CCN(Oc3ccc(OCCF)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.3601838
35865,CC1(C(=O)NCCCCN2CCN(Cc3cccc(Cl)c3)CC2)CCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48804578
35866,CCC(=O)Cc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5353909
35867,CCCOc1ccc(OC(=O)C2CCN(C)C2)c(CCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2864827
35868,CCCOc1ccc(OCF)c(N2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32808906
35869,CCCOc1ccc(OCN2CCc3cc(CC(C)C)ccc3C2=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20360759
35870,CCCOc1ccc(OCS(N)(=O)=O)c(N2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2887062
35871,CCCOc1ccc(ONS(C)(=O)=O)c(N2C(=O)CCc3ccc(CC4CCC4)cc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20601954
35872,CCCOc1ccc(OOC)c(N2CCN(c3ccc(C)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21317239
35873,CCNC(=O)N(C)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5241728
35874,CNOc1ccc(OCCCN2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.2809314
35875,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4cc(O)cnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7641383
35876,COCCOc1ccc(OC)c(N2CCC(NC(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20499326
35877,COc1cc(C(=O)NCCN2CCN(c3cccc(C)c3)CC2)ccc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.64070904
35878,COc1cc2c(cc1-c1cccc(Br)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6892551
35879,COc1cc2c(cc1CC=S(N)(=O)O)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6380743
35880,COc1cc2c(cc1O)CCN1Cc3c(cccc3CN(C)C)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7794275
35881,COc1ccc(CC(=O)NCCOc2ccc(ONS(C)(=O)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.017043822
35882,COc1ccc(OCCC(N)=O)cc1CN1CCN(c2ccccc2OCCF)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.72092205
35883,COc1ccc(OCCCNCc2ccc(F)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.20221405
35884,COc1ccc(OCCN2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.20685837
35885,COc1ccc(OCCN=S(C)(=O)O)cc1CCCc1ccc2c(c1)CCC(=O)C2,[*]CCOc1ccc(O[*])c([*])c1,0.1750722
35886,COc1ccc(OCCNC(C)=O)cc1N1CCN(c2ccccc2F)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.16960055
35887,COc1ccc(OCCS(C)(=O)=O)cc1CCNC(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.019271547
35888,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25452882
35889,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Cc2ccc(OC3CCC(=O)NC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.30071133
35890,COc1ccc(OCCS(C)(=O)=O)cc1NCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.18933855
35891,COc1ccc(OCCS(N)(=O)=O)cc1N1CCCC(COc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2835698
35892,COc1ccc(OCCSC)cc1N1CCN(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6782397
35893,COc1ccc2ccc(CC3CCN(CCOc4ccc(ONS(=O)(=O)OC)c(C)c4)CC3)cc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.50678414
35894,COc1cccc(CN2CCN(CCCCNC(=O)c3cc4ccc3Cc3ccccc3-4)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61701256
35895,COc1cccc(Cc2cccc3c2CN2CCc4cc(OC)c(C)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57346565
35896,COc1ccccc1Cc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32336354
35897,COc1ccccc1N1CCN(CCN2CCC(c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9047936
35898,COc1cnc(C2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85243106
35899,CS(=O)(=O)NOc1ccc(OCCF)cc1NCCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.11490817
35900,CSc1ccccc1N1CCN(COc2ccc(OCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.60409206
35901,Cc1cc(OCCOCCc2ccc3c(c2)NC(=O)CC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.20164473
35902,Cc1ccccc1-c1ccc(C(=O)NCCN2CCN(O)CC2)cc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.25707722
35903,Clc1ccccc1N1CCN(CCN2CCC(c3cc4ccccc4o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77186435
35904,FC(F)(F)c1cccc(CN2CCN(CCCc3cc(C=Cc4ccccc4)no3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6237224
35905,N#Cc1ccccc1N1CCN(CCN2CCC(n3cccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.775177
35906,Nc1cc2c(cc1-c1ccccc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6694464
35907,O=C1CC(O)(CCCN2CCN(Cc3cccc(Cl)c3)CC2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5143871
35908,O=S(c1ccc(F)cc1)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6068247
35909,O=[N+]([O-])c1ccccc1N1CCN(CCN2CCC(n3cc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5640872
35910,OCc1ccc(-c2cccc3c2CN2CCc4cc(CO)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6492921
35911,Oc1nc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c2ccccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72586894
35912,C=CCOc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7286243
35913,CC(=O)c1ccccc1N1CCN(CCN2CCC(n3ccc(F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5792324
35914,CC(C)Oc1ccccc1N1CCN(CCN2CCC(C(O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83218783
35915,CC1(C)Cc2ccccc2N1C(=O)CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7389039
35916,CCCOc1ccc(OC(N)=O)c(CNC(=O)c2ccc(N3CCN(C)CC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18223524
35917,CCCOc1ccc(OCl)c(N2CCN(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7982682
35918,CCCOc1ccc(OF)c(C(=O)Nc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.017123036
35919,CCCOc1ccc(ON)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10295483
35920,CCCOc1ccc(ON2CCN(c3ccccc3OCC)CC2)c(S(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34680828
35921,CCCOc1ccc(OOC)c(N2CCN(C(C)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30268198
35922,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)COc2ccc3c(c2)NCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07659392
35923,CCOC(=O)c1cc2c(cc1OC)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4275726
35924,CCS(=O)(=O)Nc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5188565
35925,COCCCN1CCN(Cc2cccc(-c3cc(C=Cc4ccccc4)no3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58121425
35926,COCCCN1CCN(Cc2cccc(-c3cccc4nc(O)ccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.544962
35927,COCCCN1CCN(Cc2cccc(C3CCC3c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6429245
35928,COCCOc1ccc(OC)c(Cc2cccc(NC(C)=O)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.022477672
35929,COCCOc1ccc(OCN2CCN(c3cccc(C(C)C)n3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37397677
35930,COOc1ccc(OCCNC(=O)c2ccc(SC)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.016468247
35931,COc1cc2c(cc1-c1cc[nH]c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.781474
35932,COc1cc2c(cc1O)CCN1Cc3c(CNC(=O)c4ccc(C#N)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45319724
35933,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cc(CO)c4c(OC)cccc4c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6870573
35934,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc5ccccc5n4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60857886
35935,COc1cc2c(cc1OC)C1Cc3cccc(CCSc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68026304
35936,COc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.88498193
35937,COc1ccc(C(=O)NC2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)cc1OC,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6507209
35938,COc1ccc(C)cc1-c1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70216244
35939,COc1ccc(OCCC(N)=O)cc1CC(=O)Nc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.006634957
35940,COc1ccc(OCCC2CCCN(Cc3ccccc3)C2)cc1S(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.39120528
35941,COc1ccc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1[SH]=O,[*]CCOc1ccc(O[*])c([*])c1,0.7020804
35942,COc1ccc(OCCN2CCC(Oc3cc4ccccc4o3)CC2)cc1S(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.49797922
35943,COc1ccc(OCCS(C)(=O)=O)cc1N1c2ccc(CC3CCC3)cc2CCC1C,[*]CCOc1ccc(O[*])c([*])c1,0.24508372
35944,COc1ccc(OCCS(N)(=O)=O)cc1CCc1ccc(OC2CCNCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.21943296
35945,COc1ccc2ccc(CC3CCN(CCCOc4ccc(OOS(C)(=O)=O)c(C)c4)CC3)cc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.5266131
35946,COc1ccc2nc(O)ccc2c1-c1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70714724
35947,COc1cccc(CCCCN2CCN(Cc3cccc(O)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72128147
35948,COc1cccc2c1CN1CCc3cc(OC(C)=O)c(Oc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4722458
35949,COc1ccccc1-c1cc(C(=O)NCCN2CCN(F)CC2)ccc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33335364
35950,COc1ccccc1N1CCN(CCN2CCC(Cc3ccc4nc(O)ccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75417125
35951,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc4cccn4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8345248
35952,COc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8444062
35953,CSOc1ccc(OCCCCCc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.21360868
35954,Cc1cc(OCCNC(=O)Cc2ccccc2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.018743377
35955,Cc1cc(OCCNC(=O)c2ccc(F)cc2)ccc1OCN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.09777282
35956,Cc1cc(OCCNCc2cc3ccccc3o2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10729817
35957,Cc1cc(OCCOCCc2ccc(F)cc2)ccc1ON=S(C)(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06581213
35958,Cc1cccc2c1CN1CCc3cc(NC(=O)Cc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.18806843
35959,Cc1ccccc1C(=O)NC1CCN(CCN2CCN(c3ccccc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6575661
35960,O=S(=O)(NCCCN1CCN(Cc2cccc(F)c2)CC1)c1cc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55775726
35961,Oc1cc2c(cc1-c1cccs1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77200115
35962,C#Cc1cccc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69770384
35963,C=COc1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.81286263
35964,CC(C)c1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccco4)ccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6136055
35965,CCC1Cc2ccccc2N1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62089366
35966,CCCNOc1ccc(OCCC)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.10062969
35967,CCCOc1ccc(ON=S(C)(=O)O)c(C(C)COc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15257071
35968,CCCOc1ccc(OOC)c(N2Cc3ccccc3C(C)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37164843
35969,CCCOc1ccc(OS(C)(=O)=O)c(CC2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2064394
35970,CCCOc1ccc(OS(C)(=O)=O)c(CN2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2998165
35971,CCCOc1ccc(OS(C)(=O)=O)c(OC2CCc3ccc(OCC4CCCC4)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3402348
35972,CN(C)c1ccc(-c2cc3c(cc2CO)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65400356
35973,COCCCN1CCN(Cc2cccc(C(=O)c3ccc(F)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4580812
35974,COCCCN1CCN(Cc2cccc(CN3Cc4ccccc4C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6973294
35975,COCCCN1CCN(Cc2cccc(N3CCCCS3(=O)=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.50623
35976,COOc1ccc(OCCF)cc1CCN1CCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.89374226
35977,COOc1ccc(OCCN2CC=C(c3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.51660466
35978,COc1cc2c(cc1O)C1Cc3cccc(OCc4cccnc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67408186
35979,COc1cc2c(cc1O)CCN1Cc3c(cccc3OC(C)C)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73326415
35980,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc5c(C(=O)O)c[nH]c5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5068644
35981,COc1cc2c(cc1OC)C1Cc3cccc(C4COCCN4OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63529915
35982,COc1cc2c(cc1OC)C1Cc3cccc(C[N+](=O)[O-])c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.593596
35983,COc1ccc(C#N)c(-c2cc3c(cc2OC)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.807669
35984,COc1ccc(CCCCCOc2ccc(ON=S(C)(=O)O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.059363477
35985,COc1ccc(OCCC(=O)CCc2ccccc2SC)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.04106131
35986,COc1ccc(OCCCc2cc(F)cs2)cc1C(=O)C1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.089586794
35987,COc1ccc(OCCN2CCC(Oc3ccc(C)cc3)CC2)cc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.45627594
35988,COc1ccc(OCCNC(=O)c2cccc(C)c2)cc1N(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.01814725
35989,COc1ccc(OCCNS(=O)(=O)c2ccc(F)c(F)c2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06124088
35990,COc1ccc(OCCOCC(F)(F)F)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06871042
35991,COc1ccc2cccc(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)c2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8142019
35992,COc1cccc(CN2CCN(CCCc3ccc(-c4ccccc4)oc3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.567709
35993,COc1cccc(COc2ccc(-c3cccc4c3CN3CCc5cc(OC)c(OC)cc5C3C4)cc2)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5626712
35994,COc1cccc2c1CN1CCc3cc(N[N+](=O)c4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53056353
35995,COc1ccccc1Cc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75987005
35996,COc1ccccc1N1CCN(CCN2CCC(n3c(O)nc4ccc(Cl)cc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8131724
35997,COc1ccccc1NCc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42547107
35998,CS(=O)(=O)COc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.05710868
35999,Cc1cc(OCCN2CCC(Cc3ccc(OC4CCCC4)cc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5070363
36000,Cc1cc(OCCN=S(C)(=O)O)ccc1ONC(=O)Cc1ccc(N2CCCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.046254538
36001,Cc1cc(OCCNS(=O)(=O)Cc2ccc(C(C)C)cc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.0745484
36002,Cc1cc(OCCNS(C)(=O)=O)ccc1ONC(=O)COc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.018084096
36003,Cc1cc(OCCc2ccc(CCCF)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.08182706
36004,Cc1cccc(CC(=O)NCCOc2ccc(ON3CCN(C)CC3)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09414208
36005,O=C(NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)c1cccnc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7857136
36006,O=C1OCCc2cc(-c3cccc(CN4CCN(CCCF)CC4)c3)ccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7004319
36007,O=C1c2ccccc2C(=O)N1CCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7623798
36008,O=S(=O)(CCCN1CCN(Cc2cccc(Cl)c2)CC1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6135753
36009,O=S(=O)(NCCCN1CCN(Cc2cccc(Cl)c2)CC1)c1cc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58397746
36010,Oc1ccccc1N1CCN(CCN2CCC(c3c[nH]c4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7140859
36011,[O-]Oc1cccc(CN2CCN(CCCCc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.74824107
36012,C#Cc1ccc2c(c1)N(C(=O)c1cc3c(cc1OC)C1Cc4cccc(OC)c4CN1CC3)C(C)CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44254667
36013,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccccc4)no3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8350754
36014,CCCOc1ccc(ON2CCC(c3ccccc3OCC)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.41683322
36015,CCCOc1ccc(ON2CCN(c3cccnc3CCC)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3471476
36016,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(Oc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.41021562
36017,CCCOc1ccc(OOC)c(N2CCC(c3ccccc3CC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32943043
36018,CCCOc1ccc(OOC)c(N2CCN(Cc3cccc(NC(C)=O)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.48971444
36019,CCCOc1ccc(OS(C)(=O)=O)c(CCCc2ccc3c(c2)NC(=O)CCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2649953
36020,CCCOc1ccc(OS(N)(=O)=O)c(CCSc2ccc(CCC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07579487
36021,CCOC(=O)Oc1ccc(OCCN2CCN(Cc3ccc(F)c(F)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.26072946
36022,CCOc1cccc(-c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53353757
36023,CNCCOc1ccc(OC)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10717017
36024,COC(=O)N(c1ccc(C)cc1)C1CCN(CCN2CCN(c3ccccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7172615
36025,COOc1ccc(OCCc2ccc(F)cc2)cc1CC(=O)Nc1ccccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.006313837
36026,COc1cc2c(cc1CO)C1Cc3cccc(OCc4ccc(C=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5505726
36027,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3ccc(Br)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6591517
36028,COc1ccc(OCCCCCc2ccc(F)cc2)cc1N=[SH](C)(O)O,[*]CCOc1ccc(O[*])c([*])c1,0.07796958
36029,COc1ccc(OCCCN2CCC(c3coc4ccccc34)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.7279307
36030,COc1ccc(OCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.901611
36031,COc1ccc(OCCCOCCc2ccc3c(c2)NC(=O)CC3)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.30681112
36032,COc1ccc(OCCCS(=O)(=O)c2ccccc2C(C)C)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09001851
36033,COc1ccc(OCCCS(N)(=O)=O)cc1N1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3091796
36034,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(Oc2ccc(C)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.17245616
36035,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1CN1CCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.49002725
36036,COc1ccc(OCCNCc2cccs2)cc1CS(=O)(=O)c1ccc(C(C)(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.11794252
36037,COc1ccc(OCCNS(C)(=O)=O)cc1CCOc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.14814164
36038,COc1ccc(OCCS(=O)C2CCCC2)cc1CN1CCC(C(=O)c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.39823037
36039,COc1ccc(OCCS(C)(=O)=O)cc1Cc1cccc(NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.023966411
36040,COc1ccc(OCCS(C)(=O)=O)cc1NCC1C(=O)CCc2ccc(CC(C)=O)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.11792695
36041,COc1ccc(OCCS(C)=O)cc1N1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.32371816
36042,COc1cccc(CN2CCN(CCCCNC(=O)c3ccccc3-c3ccc4ccccc4n3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59321934
36043,COc1ccccc1N1CCN(CCN2CCC(Cc3ccc4cc(F)ccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8714917
36044,COc1ccccc1N1CCN(CCN2CCC(c3ccc(C(F)(F)F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.90499026
36045,Cc1cc(OCCN2CCC(NC(=O)c3ccc(F)c(F)c3)CC2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4733915
36046,Cc1cc(OCCN2CCC(c3ccccc3OC3CC3)CC2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.632738
36047,Cc1cc(OCCN2CCCCC2)ccc1ON=S(C)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.22025743
36048,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCN(C)CC1Cc1ccc2ccccc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.2689508
36049,Cc1cc(OCCNc2cc(C(C)C)ccc2S(C)(=O)=O)ccc1ON1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.14456508
36050,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCC(Oc2ccc(CF)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21364069
36051,Cc1cc2c(cc1Br)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.661764
36052,Cc1ccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2[O-])cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.10361704
36053,Cc1ccc(C(=O)NCCN2CCN(O)CC2)cc1-c1cccc(Cl)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30324802
36054,O=C(NCCCN1CCN(Cc2cccc(-c3ccccc3)c2)CC1)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.43170416
36055,OCc1cc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c[nH]1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7343287
36056,Oc1cc2c(cc1Cl)C1Cc3cccc(C=Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76622456
36057,C=Cc1cccc(CCCN2CCN(Cc3cccc(O)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6341532
36058,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3ccc4cccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8487303
36059,CCCCNCCOc1ccc(OC)c(NS(=O)(=O)c2ccccc2C#N)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22860858
36060,CCCOc1ccc(OC)c(CS(=O)(=O)NC2CCC(Oc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19892645
36061,CCCOc1ccc(OC2CCN(c3ccccc3OC)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4573124
36062,CCCOc1ccc(OCN)c(CCN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.87994385
36063,CCCOc1ccc(OCNOC)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08854783
36064,CCCOc1ccc(ON2CCN(Cc3cccc(OC)c3)CC2)c(OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.56190425
36065,CCCOc1ccc(OSC)c(CNCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18676922
36066,CCCc1ccccc1N1CCN(Oc2ccc(OCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.30167955
36067,CCNCc1ccc(-c2cccc3c2CN2CCc4cc(Cl)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55298674
36068,CCSc1cc(CC2CCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)CC2)ccc1OC1CCNC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.4815354
36069,CN(C(=O)CCCN1CCN(Cc2cccc(Cl)c2)CC1)C1CCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62336516
36070,CNC(=O)c1ccc(OC2CCN(CCOc3ccc(OSC)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.34107363
36071,CNCCOc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.658497
36072,COC(=O)c1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(OC)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4774386
36073,COCCOc1ccc(OC(=O)COc2ccccc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03147441
36074,CON=C(CCCN1CCN(Cc2cccc(OC)c2)CC1)c1ccc(Cl)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63958675
36075,COOc1ccc(OCCN2CCC(c3ccccn3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.7181018
36076,COc1cc2c(cc1Cc1ccn(C)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7176843
36077,COc1cc2c(cc1O)C1Cc3cccc(-c4c[nH]c5ccc(C(=O)O)cc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4618559
36078,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccncc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7000809
36079,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(COC(F)(F)F)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6888277
36080,COc1ccc(C(=O)NCCN2CCN([N+](=O)[O-])CC2)cc1-c1ccc(C)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.10915395
36081,COc1ccc(OCCN2CCC(Cc3ccccc3)C2=O)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.3594664
36082,COc1ccc(OCCN2CCC(Oc3ccc(C(C)=O)cc3)CC2)cc1S(=O)(=O)[O-],[*]CCOc1ccc(O[*])c([*])c1,0.34320548
36083,COc1ccc(OCCN2CCCC(Cc3ccc(OC4CCCCC4)cc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.35950565
36084,COc1ccc(OCCN2CCN(c3ccc(C(C)=O)s3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5095806
36085,COc1ccc(OCCNCCc2ccc3c(c2)CC(C)CC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.36725128
36086,COc1ccc(OCCS(C)(=O)=O)cc1NC(C)COc1ccc2c(c1)NC(=O)CCC2,[*]CCOc1ccc(O[*])c([*])c1,0.21528593
36087,COc1ccc(OCc2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73111707
36088,COc1cccc(CN2CCN(CCCCc3cc4cccccc-4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7661723
36089,COc1ccccc1NC1CCN(CCN2CCN(c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.43837357
36090,CS(=O)(=O)c1ccccc1N1CCN(CCN2CCC(Br)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7995075
36091,CSOc1ccc(OCCNCCC2CCc3ccccc3C2=O)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.22934707
36092,CSc1ccccc1N1CCN(CCN2CCC(n3cccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7290479
36093,Cc1cc(OCCF)ccc1OCCN1CC=C(C=Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.50510085
36094,Cc1cc(OCCN2CCC(c3ccccc3)CC2)ccc1OS(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.64613754
36095,Cc1cc(OCCN=S(C)(=O)O)ccc1ONc1ccccc1CC1CC1,[*]CCOc1ccc(O[*])c([*])c1,0.07540008
36096,Cc1cc(OCCNC(=O)COc2ccc3c(c2)N(C)CC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.117689185
36097,Cc1cc(OCCNS(C)(=O)=O)ccc1OCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.095004685
36098,Cc1cccc2c1CN1CCc3cc(-c4ccc(N)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58256966
36099,Clc1cccc(CN2CCN(CCCC=Cc3ccco3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6402319
36100,FC(F)(F)c1cccc(CN2CCN(CCCCN3OCCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6939632
36101,O=C(NCCCN1CCN(Cc2cccc(Cl)c2)CC1)C1(c2ccccc2)CCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.451137
36102,O=C(NCCN1CCN(Cl)CC1)c1ccc(Cl)c(-c2ccc([N+](=O)[O-])cc2)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.20529066
36103,O=C1CCc2ccccc2N1CCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72313935
36104,O=c1ccc2c(CCCN3CCN(Cc4cccc(Cl)c4)CC3)cccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63578993
36105,Oc1cc2c(cc1O)C1Cc3cccc(-c4cc5ccccc5[nH]4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6700206
36106,C=Cc1cccc(OC)c1-c1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.684072
36107,CC(C)c1ccccc1N1CCN(CCN2CCC(n3c(O)nc4cc(F)ccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7242238
36108,CCCOc1ccc(OCOCc2ccccc2)c(C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08925367
36109,CCCOc1ccc(OCc2ccccc2C2CCN(C)CC2)c([N+](=O)[O-])c1,[*]CCOc1ccc(O[*])c([*])c1,0.3535248
36110,CCCOc1ccc(ON2C=CN(C(C)=O)CC2)c(CCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13341191
36111,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCCC(CCc3ccc4c(c3)NC(=O)CC4)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.284384
36112,CCCOc1ccc(OOC)c(N2CCN(C(C)c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28574678
36113,CCCOc1ccc(OS(C)(=O)=O)c(N2CCN(c3ccc(CC(F)(F)F)nc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16046137
36114,CCCc1cccc(CCNOc2ccc(OCCS(C)(=O)=O)cc2C)c1OC1CCNC1,[*]CCOc1ccc(O[*])c([*])c1,0.14584543
36115,COC1CCN(CCN2CCN(c3ccccc3-c3cc(-c4ccccc4)cn3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81339407
36116,COCCCN1CCN(Cc2cccc(CNC(=O)c3coc4ccccc4c3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3873006
36117,COCc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.39333758
36118,COc1cc2c(cc1C(C)C)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7444321
36119,COc1cc2c(cc1CN(C)Cc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7395475
36120,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)NCc3cccc(F)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49697992
36121,COc1cc2c(cc1OC(F)(F)c1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6458903
36122,COc1cc2c(cc1OCc1cccc(C#N)c1)C1Cc3cccc(Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5454266
36123,COc1ccc(C(=O)NCCN2CCN(c3ccc(C)cc3)CC2)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.39225632
36124,COc1ccc(OCCC(=O)Nc2cccc(C(C)C)c2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.01941082
36125,COc1ccc(OCCCN2CCC(Oc3ccc4c(c3)NC(=O)CC4)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.7207323
36126,COc1ccc(OCCCS(=O)(=O)c2ccc(F)c(F)c2)cc1CN1CCC(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3895142
36127,COc1ccc(OCCF)cc1N1CCC(NS(=O)(=O)c2cccc(Cl)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.30475426
36128,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC4C)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5445989
36129,COc1ccc(OCCN2CCCC(CCc3ccc(F)cc3)C2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4666078
36130,COc1ccc(OCCN2CCCC(c3ccccc3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.65717494
36131,COc1ccc(OCCN2CCCN(c3ccccc3OC(C)C)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.85832113
36132,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(Oc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2603991
36133,COc1ccc(OCCNCCc2cccs2)cc1Br,[*]CCOc1ccc(O[*])c([*])c1,0.16846885
36134,COc1ccc(Oc2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76300555
36135,COc1cccc(CC(C)CCOc2ccc(ONS(C)(=O)=O)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.066788
36136,COc1ccccc1CCCCN1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4205469
36137,CSc1ccccc1OC1CCN(CCOc2ccc(ONS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5282563
36138,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)C(=O)C(=O)CC4)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.57816017
36139,Cc1cc(OCCNC(=O)COc2ccc3ccccc3c2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.019164937
36140,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)CC(=O)CC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.059452783
36141,Cc1cc(OCCNCc2ccccc2)ccc1ONS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.21660058
36142,Cc1cc(OCCNS(=O)(=O)c2ccc(C(C)C)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.052262194
36143,FC(F)(F)c1cccc(CN2CCN(CCCN3CCCCC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62198305
36144,Fc1ccc(OCC2CCN(CCN3CCN(c4ccccc4OC(F)(F)F)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8258391
36145,O=C(C=Cc1ccccc1)NCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46528345
36146,O=C(NCc1ccc(Cl)cc1)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49503836
36147,O=C(NCc1ccccc1N1CCN(CCN2CCC(O)CC2)CC1)c1cc2ccccc2cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6572399
36148,O=C(Nc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2)C(F)(F)F,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3868047
36149,O=C1OCCN1c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5182012
36150,O=C1c2ccccc2NC(c2cccc(CN3CCN(CCCF)CC3)c2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6077415
36151,OCCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7128613
36152,Oc1cccc(CN2CCN(CCCc3cccs3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64971197
36153,CC(=O)c1ccccc1OCc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4380824
36154,CC=S(O)(O)=Nc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7237479
36155,CCCCC1=CN(Cc2cc(OCCC)ccc2ON2CCN(c3ccccc3OC)CC2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23043106
36156,CCCCN1CCN(Cc2cccc(CSc3ccc(F)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46581846
36157,CCCOc1ccc(OCCCc2ccco2)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.67978835
36158,CCCOc1ccc(OCl)c(-c2ccc(OCC(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08167555
36159,CCCOc1ccc(ONS(C)(=O)=O)c(NCCC2C=CC(=O)C=C2O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09172376
36160,CCCOc1ccc(OOC)c(N2CCN(c3ccccc3CCF)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3622308
36161,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCCC(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22960965
36162,CCCOc1ccc(OS(C)(=O)=O)c(OC2CCCc3ccc(CC(C)=O)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26467663
36163,CCCOc1ccc(OSC)c(N2CCCN(c3ccccc3OC(C)C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34165168
36164,CCCOc1ccc(OSC)c(NC(=O)Cc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09149448
36165,CCCc1ccc(Cc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71560484
36166,CCOc1ccccc1N1CCCN(Cc2cc(OCCC(C)C)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.77523637
36167,CCc1ccc(OC2CCN(c3cc(OCCOS(C)(=O)=O)ccc3OC)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.22694841
36168,CN(c1ccccc1)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7194137
36169,CNS(=O)(=O)c1cc(OCCCOc2ccc(F)cc2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.12998118
36170,COC(=O)NCc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51786286
36171,COC1CCN(CCN2CCN(c3ccccc3NC(=O)Nc3cccc(Cl)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.46989286
36172,COCCCCN1CCN(Cc2cccc(C(=O)N3c4ccccc4CC3C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7455602
36173,COCCCN1CCN(Cc2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.40974343
36174,COCCOc1ccc(OC)c(-c2ccccc2N2CCNCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.41891125
36175,COCCOc1ccc(OC)c(CN2CCN(CC(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25579727
36176,CON1CCN(CCNC(=O)c2ccc(C(C)=O)c(-c3cccc(Cl)c3Cl)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3132798
36177,CON1CCN(CCNC(=O)c2ccc(C)c(-c3ccccc3[O-])c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31559154
36178,COc1cc2c(cc1-c1ccc(OC)c3ccccc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77648187
36179,COc1cc2c(cc1O)CCN1Cc3c(cccc3N(C)C(C)=O)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5654407
36180,COc1cc2c(cc1OC)C1Cc3cccc(OCc4cccc(C=O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6912769
36181,COc1ccc(OCCC(F)(F)F)cc1N1CCN(c2cccc(C(F)(F)F)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.37568355
36182,COc1ccc(OCCCSCc2ccc(F)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.133939
36183,COc1ccc(OCCNC(=O)c2cccc(CF)c2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.024660463
36184,COc1ccc(OCCNC(C)=O)cc1NC(=O)Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.0114841955
36185,COc1ccc(OCCNC(C)=O)cc1NC(=O)Cc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.056999635
36186,COc1cccc(COc2ccc(-c3cccc4c3CN3CCc5cc(O)c(OC)cc5C3C4)cc2)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6097267
36187,COc1cccc(Oc2cc3c(cc2OC)C2Cc4cccc(CO)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7889552
36188,COc1cccc2c1CCC(CCCN1CCN(Cc3cccc(F)c3)CC1)C2,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70369023
36189,COc1cccc2c1CN1CCc3cc(-c4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7276722
36190,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(C)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30962768
36191,COc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3cccc(Cl)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81760794
36192,COc1ccccc1N1CCN(c2cc(OCCN=CO)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3020518
36193,Cc1cc(OCCN2CCN(Cc3ccc(F)cc3)CC2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.44404808
36194,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1601043
36195,Cc1cc(OCCNC(=O)CCc2ccc3c(c2)NC(=O)CC3)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.043457925
36196,Cc1cc(OCCNCc2ccccc2F)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16244224
36197,Cc1cc(OCCNS(=O)(=O)c2ccccc2C)ccc1OCC1CCCN1,[*]CCOc1ccc(O[*])c([*])c1,0.14339879
36198,Cc1cc2c(cc1N)CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6762636
36199,Cc1cccc(-c2cc(C(=O)NCCN3CCN(C=O)CC3)ccc2C)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26629633
36200,Cc1ccccc1N1CCN(CCN2CCC(c3cccs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72571784
36201,FCCOc1cccc(CN2CCN(CCCc3ccc4ccccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6769398
36202,Nc1cc2c(cc1-c1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72987664
36203,CC(=O)COc1ccccc1N1CCN(CCOc2ccc(ONS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.71407163
36204,CC(C)c1ccc(CC(=O)Nc2cc(OCCF)ccc2ONS(C)(=O)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.007206409
36205,CC1CCN(CCN2CCN(c3ccccc3COc3cc4ccccn4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6145941
36206,CC1CCN(CCN2CCN(c3ccccc3S(=O)(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6264821
36207,CCCOc1ccc(OC(=O)NS(C)(=O)=O)c(NCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03596172
36208,CCCOc1ccc(ON2C=CN(C(=O)OC)CC2)c(-c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10753978
36209,CCCOc1ccc(ON2CCC(c3ccccc3)CC2)c(OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.41647482
36210,CCCOc1ccc(ONC(=O)Cc2ccccc2)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5745195
36211,CCCOc1ccc(ONS(C)(=O)=O)c(C2C(=O)CCc3cc(CC4CCC4)ccc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3058558
36212,CCCOc1ccc(ONS(C)(=O)=O)c(CCOc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.096271686
36213,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Oc3ccc4c(c3)NC(=O)CCC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5084171
36214,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(CCc3cccc4c3NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2936183
36215,CCCOc1ccc(OS(C)(=O)=O)c(NCCc2cccc3c2CCC(C)C3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38575092
36216,CCOc1ccccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1C=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.36043173
36217,CCOc1ccccc1N1CCN(CCN2CCC(c3ncc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8342717
36218,CNCCOc1ccc(OC)c(NC(=O)Cc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.011890556
36219,CNS(=O)(=O)Oc1ccc(OCCCSCc2ccccc2F)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.07786402
36220,CNc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65967095
36221,COC1CCN(CCN2CCN(c3ccccc3-c3cccc4nc(O)cnc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6635444
36222,COC1CCN(CCN2CCN(c3ccccc3-c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7678276
36223,COCCCN1CCN(Cc2cccc(CN(C)C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58533007
36224,COCCOc1ccc(OC=Cc2ccccc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1345435
36225,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cccc(OC(F)(F)F)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50307924
36226,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)OCc3ccc(C#N)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5417116
36227,COc1cc2c(cc1OC)C1Cc3cccc(CCCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.81217957
36228,COc1cc2c(cc1OC)C1Cc3cccc(OCc4ccsc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7703236
36229,COc1ccc(OCCC(N)=O)cc1N1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2170148
36230,COc1ccc(OCCN2CCC(Oc3ccc(C4CCCCC4)cc3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5254665
36231,COc1ccc(OCCNC(=O)c2cccs2)cc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.032637373
36232,COc1ccc(OCCOS(C)(=O)=O)cc1N1CCC(CCc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3247168
36233,COc1ccc(OCCS(N)(=O)=O)cc1C(O)CCc1ccc2c(c1)CC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.13644634
36234,COc1cccc(CNC(=O)c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6734698
36235,COc1cccc2c1CN1CCc3cc(C(=O)NCCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43060508
36236,COc1ccccc1-c1cc(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)ccc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.22928414
36237,COc1ccccc1-c1ccc(-c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84688836
36238,COc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7470697
36239,COc1ccccc1N1CCN(CCN2CCC(c3ccc4c(c3)CCC(=O)N4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82018566
36240,COc1ccccc1N1CCN(Oc2ccc(OCCS(C)(=O)=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25261983
36241,Cc1cc(OCCCF)ccc1ON1CCN(c2ccc(CCCF)cn2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22681102
36242,Cc1cc(OCCCN2CCC(c3ccccc3OC3CCC3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.56804216
36243,Cc1cc(OCCN2CNCC(Cc3ccc(F)cc3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.23497449
36244,Cc1cc(OCCN=S(N)(=O)O)ccc1ONCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.051994327
36245,Cc1cc(OCCNC(=O)COc2ccc(CCF)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.021842314
36246,Cc1cc(OCCNC2CCC(Cc3ccc(F)cc3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.20734936
36247,Cc1cccc(CN2CCN(CCCCn3cccc3O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6077178
36248,Cc1ccccc1N1CCN(CCN2CCC(c3cccnn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69301677
36249,O=S(O)c1ccc(F)cc1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7384853
36250,OC1CCN(CCN2CCN(c3ccccc3-c3c[nH]c4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76920325
36251,CC(C)Oc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7207188
36252,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3nc(O)nc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7458154
36253,CC(C)c1ccc(Cc2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7096379
36254,CCC(=O)c1ccccc1N1CCN(CCN2CCC(c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6546695
36255,CCCOc1ccc(OC)c(CN2CCCC2C(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17478383
36256,CCCOc1ccc(OCC(=O)Nc2ccc(F)cc2)c(COc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0070978757
36257,CCCOc1ccc(ON2CCN(c3ccc(C(C)C)cc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25030512
36258,CCCOc1ccc(ON=CO)c(N2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26503864
36259,CCCOc1ccc(ONC2CCN(c3ccccc3OCC)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36341238
36260,CCCOc1ccc(OOC)c(N2CCCN(c3cccc(Cl)c3C(F)(F)F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3219712
36261,CCCOc1ccc(OS(N)(=O)=O)c(N2C(=O)CCc3ccc(CC4CCC4)cc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22973607
36262,CCCOc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7852043
36263,CCN(C)C(=O)c1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5936571
36264,CCOCCCN1CCN(Cc2cccc(Cc3cccc(-c4ccccc4)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6041462
36265,CCOc1ccccc1N1CCN(c2cc(OCCC(C)N=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22222063
36266,CN(C)C(=O)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53388196
36267,COC(=O)C1c2ccccc2CN1C(=O)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4695009
36268,COC1CCN(CCN2CCN(c3ccccc3-n3nc(-c4ccc(Br)cc4)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71734065
36269,COCCCN1CCN(Cc2cccc(C3CCc4ccc(O)cc4O3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6448842
36270,COOc1ccc(OCCOC2CCN(c3ccccc3OC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.36034837
36271,COc1cc2c(cc1-c1cccc(C)c1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7030386
36272,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(NC(C)(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4994944
36273,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(CO)c4ccccc34)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61577845
36274,COc1ccc(-c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8197616
36275,COc1ccc(CNCc2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6107971
36276,COc1ccc(OCCN2CCC(c3cccc(Cl)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.72841936
36277,COc1ccc(OCCOS(=O)(=O)C(F)(F)F)cc1C1CCCC(COc2ccc3c(c2)NC(=O)CC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.32273763
36278,COc1cccc(C2CCN(CCOc3ccc(OC)c(S(N)(=O)=O)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7030347
36279,COc1cccc(CN2CCN(CCCC3CCC(Nc4ncccn4)CC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6034232
36280,COc1cccc2c1CN1CCc3cc(C=NCO)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64751357
36281,CS(=O)(=O)NOc1ccc(OCCF)cc1CCNC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.3791233
36282,Cc1cc(OCCC(=O)COc2ccccc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.027187742
36283,Cc1cc(OCCCNC2CCc3ccc(S(C)(=O)=O)cc3C2)ccc1OOS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.32277292
36284,Cc1cc(OCCN2CCC(CCc3ccc4c(c3)NC(=O)CC4)CC2)ccc1ONS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.46765634
36285,Cc1cc(OCCN2CCCC(Cc3ccccc3)C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.39884135
36286,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(Oc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.37991872
36287,Cc1cc(OCCN=S(C)(=O)O)ccc1ONC(=O)Cc1cccs1,[*]CCOc1ccc(O[*])c([*])c1,0.012960955
36288,Cc1cc(OCCNS(C)(=O)=O)ccc1ONCC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.27783135
36289,Cc1cccc(CN2CCN(CCCN3C(=O)C(=O)c4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6394265
36290,Cc1cccc(OCC(=O)NCCOc2ccc(ON)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0093240915
36291,Cc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71477574
36292,Fc1ccc(SCc2cccc(CN3CCN(CCCC(F)(F)F)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49021068
36293,N#CC1CCN(CCN2CCN(c3ccccc3Oc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9105175
36294,O=c1c(=O)n(-c2cccc(CN3CCN(CCCCl)CC3)c2)[nH]c2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49930775
36295,OC1=CC2(c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)N=C(O)C=C2C=C1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.61614484
36296,OCCCN1CCN(Cc2cccc(Cc3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65615654
36297,Oc1cccc2c1CN1CCc3cc(OCc4ccc(Cl)cc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74212253
36298,C=CCc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.83739984
36299,CC(=O)NOc1ccc(OCCCN2CCN(c3ccccc3OC(C)C)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.85033005
36300,CC(=O)OOc1ccc(OCCNC(=O)CCc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.04271626
36301,CCCOc1ccc(OCl)c(NCCc2cc3ccccc3s2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12876792
36302,CCCOc1ccc(ON=S(C)(=O)O)c(CCCc2ccc3c(c2)NC(=O)CCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23335578
36303,CCCOc1ccc(ONC(C)=O)c(Nc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.027888816
36304,CCCOc1ccc(ONS(=O)(=O)c2ccc(C(C)C)cc2)c(NC2CCCCC2F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14729619
36305,CCCOc1ccc(OS(C)(=O)=O)c(CC(C)Cc2ccc(OC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09726579
36306,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(Oc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23907365
36307,CCCOc1ccc(OS(C)(=O)=O)c(OC2CCCc3ccc(CC(=O)NC)cc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16644058
36308,CCNCc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71620035
36309,CCOc1ccccc1N1CCN(CCN2CCC(n3c(O)nc4cc(F)ccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79998404
36310,CCOc1ccccc1N1CCN(Cc2cc(OCCOCC=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.77490324
36311,COC(=O)Cc1ccc(-c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48277432
36312,COC1CCN(CCN2CCN(c3ccccc3NS(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5168143
36313,COCCCN1CCN(Cc2cccc(N3C(=O)CCc4ccc(OC)cc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67384464
36314,CON1CCN(CCNC(=O)c2ccc(Cc3ccccc3)c(C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.28243816
36315,COOc1ccc(OCCCCN2CCN(c3ccccc3OC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.8375453
36316,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc5ccccc5c4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7742885
36317,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc(C)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56295156
36318,COc1cc2c(cc1OC)C1Cc3cccc(CNC(=O)c4cc5ccccc5[nH]4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4590759
36319,COc1ccc(CNc2cc3c(cc2OC)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5543792
36320,COc1ccc(OCCCC(=O)c2ccc(F)cc2)cc1C(=O)C1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.117058136
36321,COc1ccc(OCCN2CCC(S(=O)(=O)c3ccccc3)CC2)cc1C(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.6797441
36322,COc1ccc(OCCN2CCCC(CCc3ccc4c(c3)NC(=O)CC4)C2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.52707034
36323,COc1ccc(OCCN=S(C)(=O)O)cc1C(F)Cc1ccc(C2CCCCN2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.1198603
36324,COc1ccc(OCCOc2ccccc2C2CCC(F)C2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.26030242
36325,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.16560309
36326,COc1cccc2c1CN1CCc3cc(-c4ccc(C(=O)O)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47221494
36327,COc1cccc2c1CN1CCc3cc(-c4cccc(CC#N)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69144857
36328,COc1cccc2c1CN1CCc3cc(C(C)C)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73069894
36329,COc1ccccc1-c1cc2c(cc1C)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58869684
36330,COc1ccccc1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8191474
36331,COc1ccccc1C(=O)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.44479978
36332,COc1ccccc1CC1CCCN(CCOc2ccc(OSC)c(C)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.49279848
36333,COc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3ccc(-n4ccnc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81557024
36334,COc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8791045
36335,COc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3cc(C(F)(F)F)ccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7951751
36336,CSOc1ccc(OCCN2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5119689
36337,Cc1cc(OCCS(N)(=O)=O)ccc1OC(C)Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07700619
36338,Cc1ccc(Cc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5692357
36339,Cc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.55041164
36340,Cc1ccccc1N1CCN(CCN2CCC(c3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6940227
36341,ClCCCN1CCN(Cc2cccc(N(c3ccccc3)C3CCCCC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6731087
36342,ClCCCN1CCN(Cc2cccc(Sc3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7394684
36343,FC1CCN(CCN2CCN(c3ccccc3-n3cc(-c4ccccc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7155396
36344,O=C1Nc2ccccc2CC1c1cccc(CN2CCN(CCCBr)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6551928
36345,O=C1c2ccccc2NC(C=NC2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)N1c1ccccc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7522593
36346,OCc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7422422
36347,CC(=O)NCCOc1ccc(ONS(=O)(=O)c2ccc(C(C)C)cc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.029908875
36348,CC(C)(C)OC(=O)NCC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7967234
36349,CCCOc1ccc(ON2CCN(Cc3ccccc3)CC2)c(C(N)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.44840682
36350,CCCOc1ccc(ON2CCN(c3ccc(Cl)cc3)C2=O)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21833865
36351,CCCOc1ccc(ON=S(C)(=O)O)c(OC2CCCc3ccc(CC4CCCCC4)cc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25876382
36352,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(c3cc4ccccc4o3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36444628
36353,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30441475
36354,CCCOc1ccc(OS(N)(=O)=O)c(NCCC2C(=O)CCc3ccccc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22653311
36355,CCCSc1ccccc1OCOc1ccc(OCCF)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.109168455
36356,CCOc1ccccc1N1CCN(CCN2CCC(CNC(=O)Nc3cccc(F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5673991
36357,CCc1ccccc1C1CCN(CCCOc2ccc(OC)c(OC)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.72700363
36358,CCc1ccccc1C1CCN(CCOc2ccc(OC)c(SC)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.680963
36359,COCCCN1CCN(Cc2cccc(Cc3ccc(C(C)(C)C)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5741358
36360,COCc1cc2c(cc1O)C1Cc3cccc(CCc4ccc(OC)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7466177
36361,COCc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7509969
36362,COc1cc2c(cc1-c1ccc(CO)c3ccccc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.698282
36363,COc1cc2c(cc1C1=CC=NC1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6065515
36364,COc1cc2c(cc1O)CCN1Cc3c(Cc4cccc([N+](=O)O)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6262618
36365,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)OCc4ccc(C(F)(F)F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4767525
36366,COc1cc2c(cc1OC)C1Cc3cccc(COc4ccc(C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69106287
36367,COc1cc2c(cc1OC)C1Cc3cccc(NC(=O)c4ccc5[nH]ccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.24397817
36368,COc1cc2c(cc1Oc1cccc(OC)c1CO)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7006809
36369,COc1ccc(Br)cc1S(=O)(=O)c1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6825934
36370,COc1ccc(OCCCS(N)(=O)=O)cc1C1CNC(=O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.14346735
36371,COc1ccc(OCCF)cc1CN1CCC(Oc2ccc(C(N)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.33554208
36372,COc1ccc(OCCF)cc1CN1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.51800066
36373,COc1ccc(OCCN2CCC(Cc3ccc4ccccc4c3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.63054806
36374,COc1ccc(OCCN=S(C)(=O)O)cc1CS(=O)(=O)c1cccc(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06748351
36375,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.018605744
36376,COc1ccc(OCCNS(=O)(=O)c2ccccc2C(C)C)cc1N1CCOC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.1532728
36377,COc1ccc2cc(CN3CCN(CCOc4ccc(ONS(C)(=O)=O)c(C)c4)CC3)ccc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.3173979
36378,COc1cccc(CCCCOc2ccc(OC)c(CN3CCN(c4cccc(C(F)(F)F)c4)CC3)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.63395625
36379,COc1cccc(NCCOc2ccc(OC(=O)Cc3ccc4c(c3)NC(=O)CC4)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07774557
36380,COc1cccc2c1CN1CCc3cc(-c4ccsc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6974224
36381,COc1cccc2c1CN1CCc3cc(F)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7093948
36382,COc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3cc(F)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8649268
36383,Cc1cc(OCCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.55180615
36384,Cc1cc(OCCN=S(C)(=O)c2ccc(Cl)cc2)ccc1ON1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.06215413
36385,Cc1cc(OCCNC(=O)CCc2ccc3c(c2)OC(=O)CC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.064265974
36386,Cc1cc(OCCNCCC2CCc3ccccc3C2=O)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2695226
36387,Cc1cc(OCCNCCCc2ccccc2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.341197
36388,Cc1ccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59315383
36389,ClC1CCN(CCN2CCN(c3ccccc3Cc3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7169592
36390,NC(=O)Oc1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45918238
36391,O=C(Nc1cccc(CN2CCN(CCCF)CC2)c1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.40889618
36392,O=C(Nc1cccc(CN2CCN(CCCOCCF)CC2)c1)c1cc2ccccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4102978
36393,OC1CCN(CCN2CCN(c3ccccc3-c3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7975756
36394,OCc1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6528482
36395,Oc1cc2c(cc1C=NOCc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7087694
36396,C#Cc1ccc(Cc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68056667
36397,CC(=O)Oc1ccccc1N1CCN(CCOc2ccc(ONS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.65217435
36398,CCCOc1ccc(OCNS(C)(=O)=O)c(N2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30249903
36399,CCCOc1ccc(ON)c(N2CCCN(c3cccc(C(F)(F)F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32648838
36400,CCCOc1ccc(ON2CCC(c3ccccc3)CC2)c(N)c1,[*]CCOc1ccc(O[*])c([*])c1,0.47343785
36401,CCCOc1ccc(OOS(C)(=O)=O)c(NCc2ccc(C(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.049941827
36402,CCCOc1ccc(OS(C)(=O)=O)c(CCCc2ccc3c(c2)CC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26672179
36403,CCCOc1ccc(OS(C)(=O)=O)c(N2C(=O)CCc3ccc(CCC4CC4)cc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25385827
36404,CCOc1ccccc1CCCOc1ccc(ON=S(C)(=O)O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06585702
36405,CCOc1ccccc1N1CCN(CCOc2ccc(OC)c(S(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8514779
36406,CN(Cc1cccc(CN2CCN(CCCCl)CC2)c1)C1Cc2ccccc2C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7241464
36407,COC(=O)c1cc2ccccc2cc1Cc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49993372
36408,COC1CCN(CCN2CCN(c3ccccc3-c3ccnc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8086079
36409,COC1CCN(CCN2CCN(c3ccccc3C3CCc4cc(O)c(O)cc4C3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75117654
36410,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccnc4ccc(O)cc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.454263
36411,COCCCN1CCN(Cc2cccc(-c3cc4cc(OC)ccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5408759
36412,COCCCN1CCN(Cc2cccc(CN3SCc4ccccc4C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5836321
36413,COCCCN1CCN(Cc2cccc(CNC(=O)C3c4ccccc4-c4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.43022776
36414,COOc1ccc(OCCCSCc2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.105334
36415,COc1cc2c(cc1C(O)Cc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63935584
36416,COc1cc2c(cc1O)C1Cc3cccc(C(=O)NCC(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57855546
36417,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)c4cccc(F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49434987
36418,COc1cc2c(cc1OC)C1Cc3cccc(C4CC4C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77572346
36419,COc1ccc(CNC(=O)c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5093064
36420,COc1ccc(Cc2cc(C(=O)NCCN3CCN(OC)CC3)ccc2OC)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.21510296
36421,COc1ccc(OCCC(N)=O)cc1N1CCN(c2ccccc2F)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18422283
36422,COc1ccc(OCCN2CCCC(Oc3ccc(CC4CCCC4)cc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.37223232
36423,COc1ccc(OCCN2CCc3ccc(S(C)(=O)=O)cc3CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.51672465
36424,COc1cccc(CN2CCN(CCCCn3ccc(=O)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7086325
36425,COc1cccc(CN2CCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.41557497
36426,COc1cccc2c1CN1CCc3cc(OC(=O)N(C)C)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.483434
36427,COc1ccccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.34061152
36428,COc1ccccc1N1CCN(CCN2CCC(CNCc3cc4ccccc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8559506
36429,COc1ccccc1N1CCN(CCNC(=O)c2ccc(S(=O)(=O)[O-])c(OC)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.8703459
36430,CS(=O)(=O)CCOc1ccc(OC=O)c(N2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29520065
36431,Cc1cc(OCCCN2CCC(c3ccccc3C=O)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.7230336
36432,Cc1cc(OCCCN2CCN(c3ccc(Cl)cc3)CC2)ccc1ONC=O,[*]CCOc1ccc(O[*])c([*])c1,0.66160184
36433,Cc1cc(OCCNC(=O)COc2ccc(C=O)cc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.022282986
36434,Cc1cc2c(cc1O)CCN1Cc3c(cccc3OCCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56834716
36435,Cc1cc2c(cc1Oc1ccc3ccccc3c1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68980294
36436,Cc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1cccc(C#N)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26077887
36437,Cc1cccc(SCC(=O)NCCOc2ccc(ON=S(C)(=O)O)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0065156105
36438,Cc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5594668
36439,O=C(CCc1ccccc1)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.27243716
36440,O=C(NC1CCCCC1)c1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.47381547
36441,O=Cc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6386198
36442,O=S(=O)(c1cccc(F)c1)c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55914915
36443,Oc1cc2c(cc1-c1ccc(OC(F)(F)F)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8215157
36444,c1ccc(-c2ccccc2N2CCN(CCN3CCC(c4ccccc4)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83901966
36445,CCCCc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6925632
36446,CCCOc1ccc(OC(=O)S(N)(=O)=O)c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1302033
36447,CCCOc1ccc(OC)c(CN2CCN(C(=O)c3cc4ccccc4o3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13514405
36448,CCCOc1ccc(OF)c(CN2CCN(CC(=O)N3CCCCC3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15610974
36449,CCCOc1ccc(OF)c(CN2CCN(c3ccccc3C(C)=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5331065
36450,CCCOc1ccc(ON(C)C)c(NC(=O)c2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.023010299
36451,CCCOc1ccc(ON2CCN(c3ccc(C(C)=O)cc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1465914
36452,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCCC2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13851418
36453,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCN(c3ccccc3OC(C)C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36650974
36454,CCCOc1ccc(OOC)c(C2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.404282
36455,CCCOc1ccc(OS(N)=O)c(N2CCC(Oc3ccc(CCC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25935978
36456,CCOc1ccccc1N1CCN(CCN2CCC(c3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85921943
36457,COC(=O)c1cccc(C2CCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.52662826
36458,COC1CCN(CCN2CCN(c3ccccc3OC(=O)c3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67788756
36459,COCCOc1ccc(OC)c(CN2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.82639766
36460,COCCOc1ccc(ON2CCN(c3ccc(Cl)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.305054
36461,COOc1ccc(OCCN2CCC(c3ccc(CF)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6383807
36462,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1cc(C)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.16703981
36463,COc1cc2c(cc1Cc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.80496144
36464,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67445886
36465,COc1cc2c(cc1OC)C1Cc3cccc(CC(=O)NCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3054347
36466,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc(C(=O)N(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43678522
36467,COc1cc2c(cc1OC)C1Cc3cccc(OCc4ccc(OC#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7554801
36468,COc1ccc(OCCC(O)CCc2ccc3c(c2)NC(=O)CC3)cc1SS,[*]CCOc1ccc(O[*])c([*])c1,0.22402836
36469,COc1ccc(OCCCF)cc1CN1CCC(C(=O)c2ccc(SC)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.45468402
36470,COc1ccc(OCCCc2ccc(F)cc2)cc1S(=O)(=O)C1CCN(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.49581704
36471,COc1ccc(OCCN2CCC(Cc3ccc(F)cc3)CC2=O)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.31527615
36472,COc1ccc(OCCN2CCCC(S(C)(=O)=O)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.37917507
36473,COc1ccc(OCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.78578067
36474,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(Cc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.22630209
36475,COc1ccc(OCCNC(C)=O)cc1N1CC(C)Cc2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.29635432
36476,COc1ccc(OCCNC(C)=O)cc1N1CCC(Sc2ccc(F)cc2)C(O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.20055018
36477,COc1ccc(OCCNCC2CCc3ccc(SC)cc3C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.29260957
36478,COc1ccc(OCCNCc2ccccc2)cc1NS(=O)(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.23985961
36479,COc1ccc(OCCNCc2ccccc2)cc1[SH](C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.22892717
36480,COc1ccc(OCCS(N)(=O)=O)cc1N1CCCC(Oc2ccc(CCF)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2142243
36481,COc1ccc(OCCc2cccc(OCC(F)(F)F)c2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.107881345
36482,COc1cccc(CN2CCN(CCCC(=O)c3cc(C)ccc3C)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5221228
36483,COc1cccc2c1CN1CCc3cc(Cc4cccnc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57175577
36484,COc1cccc2c1CN1CCc3cc(O)c(N)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79272574
36485,COc1ccccc1S(=O)(=O)NCCOc1ccc(ON2CCCCC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13933238
36486,CSOc1ccc(OCCN2CCC(C(=O)c3ccc(F)c(SC)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5329442
36487,Cc1cc(OCCF)ccc1ONC(=O)c1ccc(C(=O)N2CCN(C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07460096
36488,Cc1cc(OCCN2CCCC(Cc3ccccc3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.53867453
36489,Cc1cc(OCCNS(=O)(=O)Cc2ccc(F)cc2)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.08660451
36490,Cc1cc(OCCS(=O)(=O)Nc2ccc(OCC(F)(F)F)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.040229477
36491,Cc1cc(OCCS(C)(=O)=O)ccc1ONCc1cccs1,[*]CCOc1ccc(O[*])c([*])c1,0.06799045
36492,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cccc(C#Cc4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7550083
36493,ClC1CCN(CCN2CCN(c3ccccc3-c3ncc(-c4ccccc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8125308
36494,O=C(NCc1cccc(CN2CCN(CCCO)CC2)c1)c1cccs1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.45272234
36495,C=Cc1ccccc1OC1CCN(CCOc2ccc(OS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5687531
36496,CC(=O)NOc1ccc(OCCNCCc2ccc3c(c2)CC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.09021507
36497,CCCCOc1ccc(OCCN2CCN(c3ccccc3OC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.7868521
36498,CCCOc1ccc(OC)c(-c2ccc(F)cc2OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10146167
36499,CCCOc1ccc(OF)c(CN2CCC(C(=O)OCc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26359326
36500,CCCOc1ccc(ON2CCC(Oc3ccc4c(c3)NC(=O)CC4)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.53191894
36501,CCCOc1ccc(ON2CCN(c3ccccc3OC(C)C)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.43684876
36502,CCCOc1ccc(ON=S(C)(=O)O)c(NCCc2ccccc2OC2CCNC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17929319
36503,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(Oc3ccc(SC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22197907
36504,CCCOc1ccc(OOC)c(CCOc2ccccc2CC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13145404
36505,CCCOc1ccc(OS(N)(=O)=O)c(C#CCOc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33358333
36506,CCOc1ccccc1C1CCN(Oc2ccc(OCCS(C)(=O)=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28904483
36507,CCOc1ccccc1N1CCN(CCN2CCC(c3cc(O)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80508214
36508,CCc1ccccc1C1CCN(CCOc2ccc(OC)c(S(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.61733556
36509,CNC(=O)c1cc2c(cc1OCc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45819408
36510,COC(=O)CCc1ccc(N2CCN(Oc3ccc(OCCS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.09908755
36511,COC(=O)Cc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51846814
36512,COC(=O)c1ccccc1N1CCN(CCN2CCC(Nc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64358354
36513,COC1CCN(CCN2CCN(c3ccccc3-c3ccon3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78237396
36514,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4ccnn4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74963546
36515,COCCCN1CCN(Cc2cccc(CCc3cc4ccccc4s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61691266
36516,COCCCN1CCN(Cc2cccc(N3CCc4cc(OC)ccc4C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.626386
36517,COCCOc1ccc(ONC(=O)c2ccc(Cl)cc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.020075459
36518,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc(C(F)(F)F)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67686945
36519,COc1cc2c(cc1O)CCN1Cc3c(cccc3CN(C)c3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71258885
36520,COc1cc2c(cc1OC)C1Cc3cccc(N4CCN(C)CC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7237749
36521,COc1cc2c(cc1OC)C1Cc3cccc(NC(=O)c4cc(C#N)c5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.25656396
36522,COc1ccc(CNCCOc2ccc(ONS(C)(=O)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.15060435
36523,COc1ccc(COC(=O)Nc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.28102776
36524,COc1ccc(OCCCN2C=CN(C=O)CC2)cc1-c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.33799234
36525,COc1ccc(OCCN2CCN(c3ccccc3OC)CC2=O)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.26548684
36526,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCC(Oc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2135833
36527,COc1ccc(OCCNCCc2ccc(OC3CCNCC3)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.18300065
36528,COc1ccc(OCCNS(=O)(=O)c2ccc(F)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.06931447
36529,COc1ccc(OCCS(C)(=O)=O)cc1NC1CCc2ccccc2CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3313013
36530,COc1cccc(CN2CCN(CCCc3cccc4ccsc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5356259
36531,COc1cccc2c1CN1CCc3cc(CN)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73195994
36532,COc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccc(Br)cc4)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82621664
36533,COc1ccccc1N1CCN(CCN2CCC(c3cccc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82673043
36534,CSOc1ccc(OCCNS(=O)(=O)c2ccc(C3(F)CCCC3)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.08607647
36535,Cc1cc(OCCCOc2ccc(F)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09093476
36536,Cc1cc(OCCN2C=C3NC(=O)CCSC3=CC=C3CCC(CC2)C3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.19421864
36537,Cc1cc(OCCNS(=O)(=O)Cc2ccc(F)c(F)c2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09388761
36538,FC(F)(F)c1cccc(CN2CCN(CCCc3ccc4ccccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6665992
36539,FC(F)(F)c1ccccc1N1CCN(CCN2CCC(Oc3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8244847
36540,N#Cc1ccc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)cc1Cl,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75265115
36541,O=C1C(Nc2ccccc2)CCN1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5052617
36542,O=S1(=O)Cc2ccccc2C(CCCN2CCN(Cc3cccc(Cl)c3)CC2)N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.73325425
36543,OCC=Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68594265
36544,CC(=O)c1ccc(N2CCN(CCOc3ccc(ON)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.5564442
36545,CC(=O)c1ccccc1N1CCN(CCN2CCC(c3ccc(Br)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6568137
36546,CC(C)C1CCN(CCN2CCN(c3ccccc3C(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.700796
36547,CCCOc1ccc(OC)c(CN2CCc3cc(OC)c(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.56840086
36548,CCCOc1ccc(OC=[SH]O)c(CCCc2ccc3c(c2)CC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23381518
36549,CCCOc1ccc(ON2CCN(C)CC2)c(-c2ccoc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2671819
36550,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCCC(CCc3cccs3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24057488
36551,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3ccc(SC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2658758
36552,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(Oc3ccc(CC4CCCCC4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24588872
36553,CCCOc1ccc(OSC)c(N2CCCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29952294
36554,CCOCCCN1CCN(Cc2cccc(C(=O)c3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.40565878
36555,CCc1cc(OC)ccc1-c1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73964214
36556,CCc1cc2c(cc1OC)C1Cc3cccc(-c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7184201
36557,COCCCN1CCN(Cc2cccc(-n3c(=O)c4ccccc4c4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55719507
36558,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccccc1C(C)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3372476
36559,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccccc3F)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6593953
36560,COc1cc2c(cc1OC)C1Cc3cccc(CNC(=O)c4cccc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46090806
36561,COc1ccc(CCNC(=O)c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46165007
36562,COc1ccc(OCCC=O)cc1N1CCC(Cc2ccc3c(c2)NC(=O)CCC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3821951
36563,COc1ccc(OCCN2CCC(=O)Nc3cc(CC4CCCCC4)ccc3C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.4915174
36564,COc1ccc(OCCNS(=O)(=O)c2ccc(F)cc2)cc1CN1CCN(S(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.12223033
36565,COc1ccc(OCCNS(C)(=O)=O)cc1NC(=O)Cc1ccc2c(c1)CC(C)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.13773404
36566,COc1ccc(OCCOS(C)(=O)=O)cc1N1CCCC(CCc2ccc3c(c2)NC(=O)CC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.32736278
36567,COc1ccc(OCCS(=O)(=O)C(F)(F)F)cc1N1CCC(Oc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.33716854
36568,COc1ccc(OCCSC)cc1CN1CCN(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5345267
36569,COc1ccc2c(-c3cc(C(=O)NCCN4CCN(OC)CC4)ccc3C)cccc2c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.25170037
36570,COc1ccc2cc(C3CCN(CCOc4ccc(OC)c(S(C)(=O)=O)c4)CC3)oc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.46729675
36571,COc1cccc(CCCN2CCN(Cc3cccc(Cc4cc5ccccc5o4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.76937056
36572,COc1cccc(CN2CCN(CCCc3cccc(C=Cc4ccccc4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64106435
36573,COc1ccccc1N1CCN(CCCOc2ccc(ONC=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7577719
36574,CSOc1ccc(OCCN2CCC(C(=O)c3ccc(SC)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.518897
36575,Cc1c[nH]c(Cc2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63902736
36576,Cc1cc(OCCCCCc2ccc3c(c2)NC(=O)CC3)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2150748
36577,Cc1cc(OCCF)ccc1OOC1CCc2ccc(C(N)=O)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.23786005
36578,Cc1cc(OCCN=S(C)(C)=O)ccc1ON1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.26788267
36579,Cc1cc(OCCNS(=O)(=O)Cc2ccc(F)cc2)ccc1OOC1CCNC1,[*]CCOc1ccc(O[*])c([*])c1,0.21199508
36580,Cc1cc2c(cc1Cl)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6049723
36581,Cc1cccc2c1CN1CCc3cc(-c4cccc(OCO)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5776064
36582,Cc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccsc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6810199
36583,Cc1ccccc1N1CCN(CCN2CCC(c3nccc(O)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6103967
36584,Clc1ccccc1N1CCN(CCN2CCC(c3nccn3Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8313017
36585,O=C(O)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5602003
36586,O=C(Oc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2)C(F)(F)F,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5482076
36587,O=C1C=C(CCCN2CCN(Cc3cccc(F)c3)CC2)CC1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6116324
36588,OCCc1ccc(-c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7017541
36589,Oc1c2ccccc2cn1-c1ccccc1N1CCN(CCN2CCC(OCCF)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70642346
36590,CC1CCc2ccccc2N1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6117806
36591,CCC1Cc2ccc(OCC(=O)CCOc3ccc(OC)c(OC)c3)cc2NC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.22092812
36592,CCCOc1ccc(OC)c(S(=O)(=O)NC2CCN(C(=O)c3ccc(Cl)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11736372
36593,CCCOc1ccc(ON2CCCN(c3ccc(Cl)cc3)CC2)c(OS(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31653315
36594,CCCOc1ccc(ON=S(C)(=O)O)c(N2C(=O)CCc3c(CCC4CCCCC4)cccc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16731091
36595,CCCOc1ccc(OOS(C)(=O)=O)c(NCC2CCc3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3683192
36596,CCCOc1ccc(OS(C)(=O)=O)c(CNC2CCC2Cc2ccc(OC3CCC(=O)NC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19862573
36597,CCCOc1ccc(OSC)c(N2CCC(NCc3cc4ccccc4o3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28694683
36598,CCCOc1ccc(Oc2ccc(OCC(F)(F)F)cc2)c(NCC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03065221
36599,CCOc1ccccc1-c1ccc(C(=O)NCCN2CCN(OC)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29794788
36600,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3c(O)ccc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64443505
36601,COOc1ccc(OCCNC(=O)Cc2ccc3c(c2)OCC(=O)N3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.037614606
36602,COc1cc2c(cc1Cc1ccccc1[N+](=O)[O-])CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55163085
36603,COc1cc2c(cc1Cl)CCN1Cc3c(Cc4ccccc4OC)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65836126
36604,COc1cc2c(cc1O)C1Cc3cccc(CNOCc4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5345835
36605,COc1cc2c(cc1O)C1Cc3cccc([N+](=O)c4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63969046
36606,COc1ccc(OCCCCSc2cc(F)ccc2OC)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.058173332
36607,COc1ccc(OCCCN2CCN(c3ccc(C(F)(F)F)cc3)C2=O)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.39799252
36608,COc1ccc(OCCN2CCCC(C(=O)Cc3ccc(F)cc3)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.34470358
36609,COc1ccc(OCCN2CCCC(Cc3ccc(F)cc3)C2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4858472
36610,COc1ccc(OCCS(C)(=O)=O)cc1CCCc1ccc2c(c1)NC(C)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.36928305
36611,COc1ccc(OCCc2ccc(C(C)C)cc2)cc1CN1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.47588772
36612,COc1cccc(CN2CCN(CCCC(=O)N3CCCCC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.32366833
36613,COc1cccc2c1CN1CCc3cc(-c4cc(F)cc(C(F)(F)F)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63272023
36614,COc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccc4)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.892138
36615,CS(=O)(=O)OOc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1CCN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.13618362
36616,CSOc1ccc(OCCNCCc2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.19582486
36617,Cc1cc(OCCCCSc2ccc(F)cc2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10720957
36618,Cc1cc(OCCF)ccc1ON1CCN(CC(=O)NS(=O)(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.10443622
36619,Cc1cc(OCCN2CCN(Cc3cccc(C(=O)N4CCCCC4)c3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2180961
36620,Cc1cc(OCCNC(=O)CCc2ccc3c(c2)CC(=O)CC3)ccc1ON(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.048649073
36621,Cc1cc(OCCNC(=O)CCc2ccc3c(c2)NC(=O)CC3)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.059131864
36622,Cc1cc(OCCNC(=O)Cc2ccccc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.009985244
36623,Cc1cc(OCCNS(=O)(=O)c2ccc(F)cc2)ccc1ON1CCC(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21938954
36624,Cc1cc2c(cc1O)CCN1Cc3c(Cc4ccc(CO)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5901126
36625,Cc1ccc(N2CCN(CC(=O)NOc3ccc(OCCOC(C)C)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.117001586
36626,Clc1ccccc1N1CCN(CCN2CCC(c3nnc(-c4ccccc4)o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7805066
36627,FC(F)(F)CCCN1CCN(Cc2cccc(-c3ccc4sccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.597801
36628,O=C(NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)c1cccc(Cl)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8448133
36629,O=C(NC1CCc2cccc(-c3cccc(CN4CCN(CCCCl)CC4)c3)c21)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62447053
36630,O=C(NCCN1CCN([N+](=O)[O-])CC1)c1ccc(Br)c(-c2ccccc2)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.325402
36631,O=C1C=C(c2ccccc2)C(O)N1c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6792636
36632,Oc1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71393794
36633,Oc1nc2ccc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)cc2o1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7387128
36634,CC(=O)c1ccc(CN2CCN(CCOc3ccc(OS(N)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.29229662
36635,CC(=O)c1ccc(CNCCOc2ccc(ON3CCN(C)CC3)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.135174
36636,CC(=O)c1ccc(OC2CCN(Oc3ccc(OCCN=S(C)(=O)O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.10033066
36637,CC(=O)c1ccc(SCCCCOc2ccc(ON3C=CC(=O)C3)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.053019285
36638,CCC(=O)Nc1cc2c(cc1C)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.2510651
36639,CCCOc1ccc(OCCOc2ccccc2C(C)C)c(NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15025918
36640,CCCOc1ccc(OCN2CCN(C(C)=O)CS2)c(Cc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.075006954
36641,CCCOc1ccc(OCNC(=O)c2ccc(F)cc2)c(CNCC2CCN(C)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21766871
36642,CCCOc1ccc(OCNCc2ccccc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14248367
36643,CCCOc1ccc(OOC)c(CN2CCC(Cc3ccc4ccc(OC)cc4c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.50555474
36644,CCCOc1ccc(OOC)c(N2CCCN(c3ccccc3OC(F)(F)F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38799945
36645,CCCOc1ccc(OOC)c(NC(=O)c2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.037300527
36646,CCOc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(OC)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6295944
36647,COC1CCN(CCN2CCN(c3ccccc3-c3nc4ccccc4n3-c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69622594
36648,COC1CCN(CCN2CCN(c3ccccc3CC(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75203997
36649,COC1CCN(CCN2CCN(c3ccccc3Cc3cnc4ccccn34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6373701
36650,COCc1cc2c(cc1OC)C1Cc3cccc(Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7441147
36651,COCc1ccccc1-c1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6117216
36652,CONCc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6031855
36653,COc1cc2c(cc1-c1ccc(O)nc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6063447
36654,COc1cc2c(cc1C(O)c1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5808099
36655,COc1cc2c(cc1C)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7743424
36656,COc1cc2c(cc1CNC(=O)Nc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34430528
36657,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(CNC5CCCC5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5447415
36658,COc1cc2c(cc1O)CCN1Cc3c(CC4CCCN(Cc5ccccc5)C4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56020474
36659,COc1cc2c(cc1OC(C)=O)C1Cc3cccc(Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44259852
36660,COc1ccc(-c2cccc(CN3CCN(CCCC(=O)N4Cc5ccccc5C4)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48390025
36661,COc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1ccc(C)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.11862896
36662,COc1ccc(OCCCNS(=O)(=O)c2cccc(F)c2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.12756379
36663,COc1ccc(OCCF)cc1CN1CCN(c2ccccc2C(C)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.60128355
36664,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(c2ccc(CC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19669566
36665,COc1ccc(OCCNC(C)=O)cc1NCC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.23100115
36666,COc1ccc(OCCS(=O)(=O)Cc2ccc(S(C)(=O)=O)cc2)cc1N(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.04524218
36667,COc1ccc2cc(-c3cccc(CN4CCN(CCCOCCF)CC4)c3)ccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5310146
36668,Cc1cc(OCCCO)ccc1ON=S(C)(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06362418
36669,Cc1cc(OCCNC2CCN(Cc3ccccc3)CC2)ccc1OCl,[*]CCOc1ccc(O[*])c([*])c1,0.5391699
36670,Cc1cc(OCCNS(=O)(=O)c2ccccc2C(C)C)ccc1ON1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.19888584
36671,Cc1cc(OCCOS(C)(=O)=O)ccc1OCNCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.11101327
36672,Cc1cc(OCCOS(C)(=O)=O)ccc1ON1CCN(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.40780705
36673,Cc1cccc2c1CN1CCc3cc(N4CCCCC4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40176386
36674,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(-c4ccc(C#N)cc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64236796
36675,Clc1ccccc1N1CCN(CCN2CCC(c3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8718398
36676,N#Cc1cc2c(cc1Br)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78564394
36677,NCCc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8272488
36678,O=C(NCc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1cccc(C#Cc2ccccc2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7805856
36679,O=C1CC2(C=CC=C2)CC(=O)N1c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6502176
36680,O=C1c2ccccc2C(=O)N1CCCN1CCN(Cc2cccc(-c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7105298
36681,O=c1cccc(F)n1C1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8603531
36682,OC1CCN(CCN2CCN(c3ccccc3-c3cnc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72023976
36683,CC(=O)c1ccccc1N1CCN(CCN2CCC(c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.63247293
36684,CC(C)C1CCN(CCN2CCN(c3ccccc3-n3c(O)nc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7080663
36685,CC(C)OCCCN1CCN(Cc2cccc(N3C(=O)c4ccccc4C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56912565
36686,CCCNCc1cc(OCCC)ccc1OCF,[*]CCOc1ccc(O[*])c([*])c1,0.11696476
36687,CCCOc1ccc(ON2CCN(c3cccc(F)c3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36637977
36688,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCCC(Cc3ccc(OC4CCCCC4)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14120725
36689,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC3(CCC(=O)C=C3c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20169674
36690,CCCOc1ccc(OS(N)(=O)=O)c(NC(=O)COc2ccc(C3CCCNC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07851275
36691,CNOc1ccc(OCCNC(=O)CCc2ccc3c(c2)CCCC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.028554479
36692,COC1CCN(CCN2CCN(c3ccccc3-c3cnc(-c4ccccc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72084576
36693,COC1CCN(CCN2CCN(c3ccccc3-c3nc4ccccc4n3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6107334
36694,COC1CCN(CCN2CCN(c3ccccc3Cc3ccc4c(c3)OCC(=O)N4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6902034
36695,COCCCN1CCN(Cc2cccc(N3C(=O)c4ccccc4CS3(=O)=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64530975
36696,COCCOc1ccc(OC)c(CC(=O)N2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10626782
36697,COCc1cc(OCCCN2CCN(c3ccccc3OC)CC2)ccc1OOC,[*]CCOc1ccc(O[*])c([*])c1,0.8370447
36698,CON1CCN(CCNC(=O)c2ccc(C)c(-c3ccccc3Oc3ccccc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30951187
36699,COc1cc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)ccc1OS(C)(=O)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.8962921
36700,COc1cc2c(cc1-c1cccc3ccccc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6981176
36701,COc1cc2c(cc1-c1ccno1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7434481
36702,COc1cc2c(cc1O)C1Cc3cccc(C([O-])c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67419255
36703,COc1cc2c(cc1O)CCN1Cc3c(CC4=CC=CC=CC4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.766089
36704,COc1ccc(COc2cccc3c2CN2CCc4cc(OC)c(Cl)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7236564
36705,COc1ccc(OCCC(=O)COc2ccccc2C)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.024308382
36706,COc1ccc(OCCC(C)N=O)cc1NS(=O)(=O)c1ccccc1C(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.04658236
36707,COc1ccc(OCCCN2CCCN(c3ccc(Cl)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.86330706
36708,COc1ccc(OCCCOCCc2ccccc2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.19827689
36709,COc1ccc(OCCN2CCC(CC(=O)c3ccc(F)cc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.6329608
36710,COc1ccc(OCCN2CCC(Oc3ccc(C)cc3)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.4098092
36711,COc1ccc(OCCN2CCC(c3ccc(S(C)(=O)=O)cc3)CC2)cc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.68445146
36712,COc1ccc(OCCc2cc(F)ccc2OC(=O)C2CCCC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.087220535
36713,COc1ccc2nccc(C(=O)Nc3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)c2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.42554447
36714,COc1cccc2c1CN1CCc3cc(-c4ccc(N(C)C)cc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72194487
36715,COc1cccc2c1CN1CCc3cc(Cc4ccc(CO)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6833719
36716,COc1ccccc1-c1cc(C(=O)NCCN2CCN(C)CC2)ccc1C(N)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3470962
36717,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc4c(c3)OCO4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78333443
36718,COc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8129745
36719,COc1ccccc1N1CCN(CCN2CCC(c3cc4cc(F)ccc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8794745
36720,COc1ccccc1N1CCN(CCN2CCC(c3cc4cc(Oc5ccccc5)ccc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.788379
36721,CSOc1ccc(OCCNS(=O)(=O)c2ccc(C(C)C)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.05504693
36722,Cc1cc(OCCN2C=CC(=O)C(c3ccccc3)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16086406
36723,Cc1cc(OCCNC(=O)c2ccc(C(C)C)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.01110476
36724,Clc1cccc(CN2CCN(CCCSc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69944876
36725,FC(F)(F)CCCN1CCN(Cc2cccc(-n3ccc(-c4ccccc4)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5725503
36726,FCCCN1CCN(Cc2cccc(-c3coc(-c4ccccc4)n3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6875641
36727,Fc1ccccc1N1CCN(CCN2CCC(c3cc4ccccc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66447884
36728,ON=Cc1cccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5729796
36729,Oc1cc2c(cc1NC1CC1O)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.444812
36730,c1ccc(Cc2cccc(CN3CCN(CCCOc4ccccc4)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.695054
36731,CC(=O)c1ccc(N2CCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)C(=O)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.13322672
36732,CCCCCN1CCN(Cc2cccc(CNC(=O)c3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.47024137
36733,CCCOc1ccc(OC(=O)Cc2ccc3c(c2)NC(=O)CCC3)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14467083
36734,CCCOc1ccc(ON2CCN(c3ccc(F)cc3)CC2)c(NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22248048
36735,CCCOc1ccc(OOC)c(N2CCC(C(O)c3cc(F)ccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32740548
36736,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCCC2CCc2cccc3c2NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28084183
36737,CCCOc1ccc(OS(C)(=O)=O)c(C2CCC(CN3CCC(Cc4ccc(F)cc4)CC3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5270913
36738,CCCOc1ccc(OS(C)(=O)=O)c(CCOc2cc3c(cc2OC)CCC(=O)C3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22703983
36739,CCCOc1ccc(OSC)c(NC(=O)COc2ccccc2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.004715547
36740,CCCc1cccc(CCOc2ccc(OOC)c(C)c2)n1,[*]CCOc1ccc(O[*])c([*])c1,0.08956094
36741,CCOC(=O)Oc1ccc(OCCF)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.021097835
36742,CCOC1CCN(CCN2CCN(c3ccccc3-c3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7825457
36743,CCOc1cc2c(cc1OC)CCN1Cc3c(cccc3OOC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68684214
36744,COC1CCN(CCN2CCN(c3ccccc3-c3c(O)nc4ccccc4c3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6558015
36745,COC1CCN(CCN2CCN(c3ccccc3-c3coc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7557477
36746,COCCOc1ccc(ON2CCC(c3ccc(F)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36993983
36747,COOc1ccc(OCCCN2CCN(c3cccc(C(F)F)c3OC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.8489879
36748,COOc1ccc(OCCN2CCN(c3cccc(F)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.70383674
36749,COc1cc2c(cc1C(=O)c1ccc3[nH]ccc3c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5115647
36750,COc1cc2c(cc1Cl)CCN1Cc3c(C=Cc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.721476
36751,COc1cc2c(cc1O)C1Cc3cccc(C(C)c4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75988054
36752,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccccc4N4CCCCC4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.37094238
36753,COc1cc2c(cc1OC(C)Nc1ccccc1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47477713
36754,COc1cc2c(cc1OC)C1Cc3cccc(N=Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75746024
36755,COc1ccc(OCCCCNC(=O)c2cccc(C(F)(F)F)c2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.062227897
36756,COc1ccc(OCCCS(=O)(=O)c2cccc(Cl)c2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.085927136
36757,COc1ccc(OCCN2CCCC(Cc3ccc(F)cc3)C2)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3670188
36758,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.028487733
36759,COc1ccc(OCCS(C)(=O)=O)cc1CCOc1cccc(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.103394054
36760,COc1ccc(OCCS(C)(=O)=O)cc1OC(C)CCc1ccccn1,[*]CCOc1ccc(O[*])c([*])c1,0.08708277
36761,COc1ccc(OCC[SH](C)(=O)O)cc1N1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.21920645
36762,COc1cccc(CC2CCN(CCOc3ccc(OOS(C)(=O)=O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.61737055
36763,COc1cccc2c1CN1CCc3cc(-c4cccc5cc(C#N)ccc45)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5970755
36764,COc1cccc2c1CN1CCc3cc(Cc4ccoc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7517534
36765,COc1ccccc1N1CCN(CCN2CCC(F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9175328
36766,COc1ccccc1N1CCN(CCN2CCC(n3cnccc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85313016
36767,CS(=O)(=O)OCCCN1CCN(Cc2cccc(Cc3ccc4c(c3)NC(=O)CC4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6536107
36768,Cc1cc(OCCCCCc2ccccc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.07222744
36769,Cc1cc(OCCN2CCC(c3ccccc3C3CCCC3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.652297
36770,Cc1cc(OCCN2CCCC(Cc3ccc(OC4CCN(C(N)=O)CC4)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2743612
36771,Cc1ccccc1N1CCN(CCN2CCC(n3cccc3-c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6674385
36772,Cc1cnn(C2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66023606
36773,ClC1CCN(CCN2CCN(c3ccccc3-c3cc(-c4ccccc4)ns3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7109639
36774,Clc1cccc(CN2CCN(CCCc3cc4ccccc4s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7258986
36775,FC(F)(F)Oc1ccccc1N1CCN(CCN2CCC(c3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.833419
36776,N#Cc1cccc(Cc2cc3c(cc2O)C2Cc4cccc(OCc5ccccc5)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6401046
36777,Oc1cc(Br)cn1C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8493953
36778,Oc1cc2c(cc1O)C1Cc3cccc(-c4ccc(OCc5ccccc5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61422664
36779,c1ccc(OCCCN2CCN(Cc3cccc(-c4ccccc4)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69908106
36780,CC(=O)c1ccc(C)c(S(=O)(=O)NOc2ccc(OCCF)cc2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.033722788
36781,CCC(C)Oc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6614765
36782,CCCOc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7110868
36783,CCCOc1ccc(OC(N)=O)c(N2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17205808
36784,CCCOc1ccc(OC)c(N2CCC(c3cccn3Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37938005
36785,CCCOc1ccc(OCF)c(CN(CC)CC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.087893605
36786,CCCOc1ccc(ON2CCN(c3ccc(OCC(F)(F)F)cc3)CC2)c(C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.224207
36787,CCCOc1ccc(ONC)c(CCOc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12090276
36788,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29720637
36789,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(Oc3ccc(CCC)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20629837
36790,CCOC(=O)Oc1ccc(OCCF)cc1CN1CCCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.52253455
36791,CN(C)S(=O)(=O)c1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5478056
36792,CNS(=O)(=O)Oc1ccc(OCCN2CCC(Cc3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.4940351
36793,COC(=O)Cc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5370063
36794,COC(=O)Nc1cccc(-c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34692475
36795,COC1CCN(CCN2CCN(c3ccccc3-c3nccc(-c4ccc(F)cc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7567494
36796,COC1CCN(CCN2CCN(c3ccccc3-n3c(O)cc4ccc(O)cc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74546516
36797,COC1CCN(CCN2CCN(c3ccccc3-n3cccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76860034
36798,COCCCN1CCN(Cc2cccc(-c3cc(-c4cccs4)co3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5037315
36799,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1S(C)(=O)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30732396
36800,COc1cc2c(cc1NC(=O)NCc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.379185
36801,COc1cc2c(cc1O)C1Cc3cccc(NCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5333132
36802,COc1cc2c(cc1O)CCN1Cc3c(cccc3NC(=O)NCCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.2939974
36803,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(CCc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.809503
36804,COc1ccc(OCCN2CCC(CCc3ccc(F)cc3)CC2)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6678165
36805,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1N1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1426308
36806,COc1ccc(OCCNC=O)cc1CN1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.54176605
36807,COc1ccc(OCCNCCc2ccc3c(c2)CCC(=O)N3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.15435617
36808,COc1ccc(OCCNCc2ccc(F)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.16335379
36809,COc1ccc(OCCS(N)(=O)=O)cc1N1CCC(Cc2ccc(OC3CCCC(=O)C3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25683713
36810,COc1ccc(OCC[SH](C)C)cc1N1CCC(Oc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3989711
36811,COc1ccc(OCCc2ccc(C(C)C)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07192018
36812,COc1cccc(OC)c1NC(=O)C1CCN(CCN2CCN(c3ccccc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5419765
36813,Cc1cc(CCCN2CCN(Cc3cccc(Cl)c3)CC2)oc(=O)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.578114
36814,Cc1cc(OCCN2CCC(CSc3ccc(F)cc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5249185
36815,Cc1cc(OCCN2CCC(c3ccc(S(C)(=O)=O)cc3)CC2)ccc1ON(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.59153855
36816,Cc1cc(OCCN2CCCC(Cc3ccc(F)cc3)C2)ccc1ONS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.29935363
36817,Cc1cc(OCCNCc2ccccc2)ccc1OC(=O)N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.16337049
36818,Cc1cc2c(cc1OCc1cccc(C#N)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5442791
36819,Clc1ccc(CCCCN2CCN(Cc3cccc(Cl)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.82717156
36820,Fc1cn(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)c2ccccc12,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75580305
36821,O=C(NCCCCN1CCN(Cc2cccc(F)c2)CC1)C1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57307005
36822,O=C(Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)c1c[nH]c2ccc(F)cc12,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35241267
36823,O=C(Nc1ccccc1)Nc1ccccc1CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.26805294
36824,O=C1C=CC(=O)N1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6632426
36825,O=C1c2ccccc2CC1c1cccc(CN2CCN(CCCO)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66004366
36826,Oc1cc2c(cc1C=NOc1ccccc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6126729
36827,Oc1cc2c(cc1CNCc1ccccc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5784739
36828,Oc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68770397
36829,Oc1nc2ccc(F)cc2n1C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8301372
36830,C#Cc1ccccc1N1CCN(CCN2CCC(c3ccccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80795133
36831,CC1CCN(CCN2CCN(c3ccccc3C(=O)Nc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.533154
36832,CCC(C)c1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74620867
36833,CCCOc1ccc(OC)c(NS(=O)(=O)c2cccc(Cl)c2Cl)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09440022
36834,CCCOc1ccc(OF)c(CNC(=O)c2ccccc2OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.028579045
36835,CCCOc1ccc(ON2CCN(c3ccccc3OC)CC2)c(C(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21180943
36836,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(Cc3cccc4c3CCC(=O)N4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34057647
36837,CCCOc1ccc(OOC)c(-n2cccc2CCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17259629
36838,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3coc4cc(F)ccc34)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29639286
36839,CCOc1ccccc1OCCCOc1ccc(ON=S(C)(=O)O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07173648
36840,CCSCCCOc1ccc(OC)c(NCC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03454703
36841,CNN1CCN(CCNC(=O)c2ccc(OC)c(-c3ccccc3OC)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.34166208
36842,CNS(=O)Oc1ccc(OCCCNc2cc(C(C)=O)ccc2F)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.06124309
36843,COC(=O)c1ccc(-c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.758538
36844,COCCOc1ccc(OC)c(CCc2ccccc2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10829025
36845,COCCOc1ccc(OC)c(N2CCCCC2c2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.41071627
36846,COCCOc1ccc(OCN2CCN(c3ccc(C)c(F)c3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.46033463
36847,COOc1ccc(OCCCN2CCN(c3ccccc3OCCF)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.82257384
36848,COc1cc2c(cc1-c1cccc(C(F)(F)F)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70710284
36849,COc1cc2c(cc1C=N)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8057348
36850,COc1cc2c(cc1C=Nc1ccccc1Cl)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6068111
36851,COc1cc2c(cc1Cl)CCN1Cc3c(cccc3OCc3ccc(CO)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59493077
36852,COc1cc2c(cc1O)C1Cc3cccc(CNCc4ccc(NC(C)=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39633134
36853,COc1cc2c(cc1OCc1ccncc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7523122
36854,COc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1cccc(C)c1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.22094029
36855,COc1ccc(CNCCOc2ccc(ONC=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.15912919
36856,COc1ccc(OC)c(-c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75220084
36857,COc1ccc(OCCF)cc1CN1CCCC(S(=O)(=O)O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.29861495
36858,COc1ccc(OCCF)cc1NC(=O)C1CCCCN1Cc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.13854542
36859,COc1ccc(OCCF)cc1NS(=O)(=O)c1ccccc1C#N,[*]CCOc1ccc(O[*])c([*])c1,0.0899186
36860,COc1cccc(CCCCN2CCN(Cc3cccc(C(=O)N4CCCCC4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4417343
36861,COc1cccc(S(=O)(=O)NC2CCN(c3cc(OCCF)ccc3OC)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28693506
36862,COc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3ccc4cccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8532861
36863,CS(=O)(=O)NOc1ccc(OCCF)cc1C(=O)COc1ccc(C(F)(F)F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.055426482
36864,CSOc1ccc(OCCN2CCN(Cc3cccc(S(C)(=O)=O)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.38880503
36865,CSc1ccc(C(=O)C2CCN(Cc3cc(OCCF)ccc3OCNS(C)(=O)=O)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.39205268
36866,CSc1ccc(CC2CCCN(CCOc3ccc(ON=S(C)(=O)O)c(C)c3)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.34472853
36867,Cc1cc(OCCC(=O)CCc2ccc3c(c2)NC(=O)CC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.13310157
36868,Cc1cc(OCCNC(=O)c2cccc(N3CCN(C)C3=O)c2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1472016
36869,Cc1cc(OCCNC(=O)c2ccccc2)ccc1OCN(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.025408017
36870,Cc1cc(OCCNCCc2ccccc2)ccc1ON=S(=O)(O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.12922941
36871,Cc1cc(OCCS(C)(=O)=O)ccc1OC1CCC(Cc2ccc(OC3CCN(C(F)(F)F)CC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23972334
36872,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.62279564
36873,O=C1CCSc2ccccc2N1CCCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7315499
36874,O=C1c2ccccc2NCC1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67932844
36875,O=S(=O)(NC1CCN(CCN2CCN(c3ccccc3F)CC2)CC1)c1ccc(F)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65764624
36876,Oc1cc2c(cc1OCCc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7136057
36877,Oc1ccccc1N1CCN(CCN2CCC(c3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70840824
36878,Oc1nccn1C1CCN(CCN2CCN(c3ccccc3OC(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8257248
36879,CC(=O)NOc1ccc(OCCNS(C)(=O)=O)cc1C1CCN(CCc2ccc(C(C)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.47234866
36880,CC1CCN(CCN2CCN(c3ccccc3-c3cnc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80615824
36881,CC1CCN(CCN2CCN(c3ccccc3C3CCc4ccc(O)cc4O3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7302674
36882,CC=S(=O)(O)c1cc2c(cc1C)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56785226
36883,CCCOc1ccc(OC)c(NS(=O)(=O)c2ccc(CC(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.037369773
36884,CCCOc1ccc(ON=S(C)(=O)O)c(CCCc2cccc3c2CC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20430185
36885,CCCOc1ccc(ON=S(C)(=O)O)c(NCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0739184
36886,CCCOc1ccc(ONCCc2ccccn2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09251302
36887,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3ccccc3OC3CC3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3604118
36888,CCCOc1ccc(OS(C)(=O)=O)c(NCCc2cccc3c2CCCC(=O)O3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12805937
36889,CCCOc1ccc(OSC)c(CN2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8061854
36890,CCOCCCN1CCN(Cc2cccc(CN3C(=O)c4ccccc4C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51791066
36891,CCOc1cc2c(cc1OC)CCN1Cc3c(Cc4ccc(OC)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6014134
36892,CCSCOc1ccc(OCCNC(=O)Cc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.04669372
36893,CCc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1OC,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75726247
36894,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3cc4cc(O)ccc4[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4520712
36895,COC1CCN(CCN2CCN(c3ccccc3NCc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4692804
36896,COOc1ccc(OCCN2CCN(c3ccccc3OC)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.9159814
36897,COc1cc2c(cc1O)C1Cc3cccc(OCc4cccc(C(F)(F)F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7053869
36898,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cccnc3C)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6567084
36899,COc1cc2c(cc1OC)C1Cc3cccc(C=CO)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.83247876
36900,COc1ccc(Cc2cc3c(cc2C)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61075765
36901,COc1ccc(OC)c(Cc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7826075
36902,COc1ccc(OCCC(=O)NCc2ccccc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.01380238
36903,COc1ccc(OCCCC(=O)c2ccc(F)cc2)cc1C=CN1CCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.15095598
36904,COc1ccc(OCCN2C3CCC(c4ccccc4)CC2CC3)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.23464689
36905,COc1ccc(OCCN2CC=C(c3ccccc3)CC2)cc1OC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3808318
36906,COc1ccc(OCCN2CCC(Nc3ccccc3)C2=O)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.26717886
36907,COc1ccc(OCCS(=O)(=O)C(F)(F)F)cc1N1CCC(Oc2ccc(C)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23249593
36908,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Oc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5296594
36909,COc1ccc(OCCS(N)(=O)=O)cc1N1CCCC(CCc2ccc3c(c2)CNC(=O)C3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25558442
36910,COc1ccc(OCCSC)cc1N1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.38857248
36911,COc1cccc(CN2CCN(CCCC3=CC(=O)OC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5697286
36912,COc1cccc(CN2CCN(CCCC3CCc4ccccc4C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.73164177
36913,COc1cccc(NC(=O)Nc2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34989265
36914,COc1ccccc1C1CCN(CCOc2ccc(OOS(=O)(=O)C(F)(F)F)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.66296047
36915,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8266637
36916,COc1ccccc1N1CCN(COc2ccc(OCCCOCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.67989916
36917,Cc1cc(OCCN(C)S(C)(=O)=O)ccc1ONCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.08754112
36918,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)NC(=O)CC3)ccc1OCS,[*]CCOc1ccc(O[*])c([*])c1,0.04761464
36919,Cc1cc(OCCNCc2ccc(Cl)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.1486181
36920,Cc1cccc2c1CN1CCc3cc(NC(=O)Nc4ccccc4Br)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.27595335
36921,Cc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6388332
36922,ClCCCN1CCN(Cc2cccc(-c3cnc(-c4ccccc4)s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63083553
36923,O=C(NCc1cccc(CN2CCN(CCCCl)CC2)c1)C1CCCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5381041
36924,O=[N+]([O-])c1ccccc1-c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40426844
36925,O=c1oc2ccccc2cc1-c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6233775
36926,Oc1c2ccccc2cn1-c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5806329
36927,C=S(O)(O)=NCCOc1ccc(ON2CCC(c3ccccc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3181234
36928,CC(=O)NCCc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47538212
36929,CC(C)c1ccccc1N1CCN(CCN2CCC(Nc3ccc(C#N)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67511064
36930,CC1Cc2ccccc2N1C(=O)c1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.691337
36931,CCCOc1ccc(OC(N)=O)c(-c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.040918395
36932,CCCOc1ccc(ON2CCC(c3ccccc3OC)CC2)c(N=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30537352
36933,CCCOc1ccc(ONCCc2ccno2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05625159
36934,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3283707
36935,CCCOc1ccc(OOC)c(N2Cc3ccc(CC4CCCCC4)cc3CC2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2097538
36936,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(Cc3ccc(OC4CCCC4)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18815078
36937,COC(=O)Nc1ccccc1-c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.31712785
36938,COCc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7825691
36939,COOc1ccc(OCCN2C=CCC(Cc3ccc4ccccc4c3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.30442357
36940,COOc1ccc(OCCN2CCC(NC(=O)c3cccc(C(C)=O)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.47880825
36941,COc1cc2c(cc1O)C1Cc3cccc(-c4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.625455
36942,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67200226
36943,COc1cc2c(cc1O)CCN1Cc3c(cccc3NCc3ccc(CO)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4725461
36944,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)OCc4ccccn4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45907986
36945,COc1cc2ccccc2cc1C(=O)Nc1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4327384
36946,COc1ccc(C#Cc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8777973
36947,COc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1ccc(C)c(C)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.14795773
36948,COc1ccc(CC2CCN(c3cc(OCCNS(C)(=O)=O)ccc3OC)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.2992403
36949,COc1ccc(OCCC(=O)CCCc2ccccc2)cc1CSC,[*]CCOc1ccc(O[*])c([*])c1,0.055155948
36950,COc1ccc(OCCC(C)Cc2ccc3c(c2)NC(=O)CC3)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.20655076
36951,COc1ccc(OCCCCOc2ccc3c(c2)NC(=O)CC3)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2169588
36952,COc1ccc(OCCF)cc1N1CCC(C(=O)c2ccc(C(C)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19575316
36953,COc1ccc(OCCN2CCC(=O)C(CCc3ccc(F)cc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.64945006
36954,COc1ccc(OCCN2CCC(Oc3ccc4c(c3)NC(=O)CC4)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.59562975
36955,COc1ccc(OCCNCc2cccs2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.17878884
36956,COc1ccc(OCCNS(=O)(=O)c2ccc(SC)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.055241298
36957,COc1ccc(OCCNS(C)(=O)=O)cc1NCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.08729653
36958,COc1ccc(OCCNS(C)(=O)=O)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.087038994
36959,COc1ccc(OCCS(C)(=O)=O)cc1C(C)CCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.20783097
36960,COc1ccc2cc(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)[nH]c2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66693854
36961,COc1cccc(CN2CCN(CCCc3ccccc3N3C(=O)c4ccccc4C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.595222
36962,COc1ccccc1N1CCN(CCNC(=O)c2ccc(C=O)c(C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.90021735
36963,Cc1cc(OCCCCCc2ccccc2)ccc1OS(=O)(=O)N1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24094453
36964,Cc1cc(OCCF)ccc1ONC(=O)c1ccc(C2CCNCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.0673203
36965,Cc1cc(OCCNCCCc2ccc(F)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.19918767
36966,Nc1cccc2c1CN1CCc3cc(O)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7604436
36967,O=C(c1cc(F)ccc1O)C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7786175
36968,O=[N+]([O-])Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.513112
36969,O=c1ccc(-c2ccccc2)cn1-c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72819895
36970,OCc1ccc(-c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6631281
36971,Oc1cc2c(cc1O)C1Cc3cccc(-c4ccc(CNc5ccccc5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46717936
36972,Oc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68409556
36973,Oc1ccc2nc(O)n(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)c2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69598013
36974,CC(=O)OOc1ccc(OCCNCc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.10624977
36975,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccc(F)cc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79519624
36976,CCCOc1ccc(OC)c(CN2CCN(C(C=O)c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39626497
36977,CCCOc1ccc(OC)c(N2CCN(CS(=O)(=O)c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3544318
36978,CCCOc1ccc(OCS(C)(=O)=O)c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2744588
36979,CCCOc1ccc(ON)c(NC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.026114218
36980,CCCOc1ccc(ON=S(C)(=O)O)c(CC2CC(=O)c3ccc(CC4CCCC4)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14458323
36981,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(c3ccccc3CC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28364685
36982,CCCOc1ccc(OOC)c(N2CCCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3296479
36983,CCCOc1ccc(OOC)c(N2CCN(c3cccc(C(C)=O)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19021021
36984,CCCOc1ccc(OS(C)(=O)=O)c(-c2cc3ccccc3n2CCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15837541
36985,CCCOc1ccc(OS(N)(=O)=O)c(NCCC2CCc3cc(OC)c(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37009287
36986,CCNC(=O)c1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6096221
36987,CCOc1ccccc1C1CCN(CCOc2ccc(OOC)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.64666545
36988,CNc1ccc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5595577
36989,CNc1ccc(Cc2cc3c(cc2OC)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5566412
36990,COC1CCN(CCN2CCN(c3ccccc3Cc3cnc(O)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7504752
36991,COCCCN1CCN(Cc2cccc(CNC(=O)OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.45042408
36992,COCCCN1CCN(Cc2cccc(S(C)(=O)=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5200633
36993,COOc1ccc(OCCF)cc1CN1CCC(C(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.56447786
36994,COc1cc2c(cc1OC)C1Cc3cccc(-n4cccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75178313
36995,COc1ccc(-c2cccc3c2CN2CCc4cc([N+](=O)[O-])c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5050982
36996,COc1ccc(C(=O)Nc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.37449124
36997,COc1ccc(CN(C)Cc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8216466
36998,COc1ccc(OCCCN=O)cc1N1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24279243
36999,COc1ccc(OCCCl)cc1N1CCCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3436017
37000,COc1ccc(OCCN2CCC(Oc3ccc(C)cc3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.44900936
37001,COc1ccc(OCCN2CCC(c3ccc(F)cc3)C(=O)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.6130564
37002,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCC(CCc2ccc3c(c2)CC(=O)CC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.27793217
37003,COc1cccc(C#Cc2ccccc2C2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7612399
37004,COc1cccc(CCCN2CCN(Cc3cccc(OC)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6697107
37005,COc1cccc(CN2CCN(CCCC(=O)NC3C=C(c4ccccc4)CC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.39131466
37006,COc1cccc(OC)c1Cc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74278134
37007,COc1cccc2c1CN1CCc3cc(C)c(S(C)(=O)=O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6264286
37008,COc1cccc2c1CN1CCc3cc(CCCN)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6924102
37009,COc1ccccc1N1CCN(CCN2CCC(c3ccc(O)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73626643
37010,CS(=O)(=O)c1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5305311
37011,CSCc1cccc(CN2CCN(CCCc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62944573
37012,Cc1cc(OCCF)ccc1OCN1CCC(NS(=O)(=O)c2cccc(C(C)C)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.52818435
37013,Cc1cc(OCCN2CCC(c3ccc(F)cc3)CC2)ccc1OO[SH](=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6724871
37014,Cc1cc(OCCN2CCC(c3cccc(C(F)(F)F)c3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6618165
37015,Cc1cc(OCCN2CCCC(Cc3ccc(F)c(N)c3)C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.28553602
37016,Cc1cc(OCCN2CCN(c3ccccc3OC(C)C)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.8264944
37017,Cc1cc2c(cc1O)C1Cc3cccc(F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.713918
37018,FC(F)(F)c1ccccc1N1CCN(CCN2CCC(n3ccc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79864436
37019,Fc1cccc(CN2CCN(CCCCc3cccs3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67005485
37020,N#Cc1c[nH]c(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6483703
37021,O=C(Nc1ccc(Cl)cc1)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3456029
37022,O=C(c1ccc(F)cc1)c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56787634
37023,O=C(c1cccc(CN2CCN(CCCCl)CC2)c1)c1cccc2c1-c1ccccc1C2,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.509655
37024,Oc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68634355
37025,CC(O)c1ccccc1N1CCN(CCN2CCC(c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6963697
37026,CCCCn1cc(CCOc2ccc(OC)c(S(C)(=O)=O)c2)nn1,[*]CCOc1ccc(O[*])c([*])c1,0.08009039
37027,CCCOc1ccc(OC(N)=O)c(NCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0412004
37028,CCCOc1ccc(OCNS(C)(=O)=O)c(CCOc2ccc(C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06590414
37029,CCCOc1ccc(OCn2cc(CCc3ccccc3)cc2O)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.094859116
37030,CCCOc1ccc(OOC)c(NCc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16315536
37031,CCCOc1ccc(OS(C)(=O)=O)c(C(C)Cc2ccc(OC3CCCNC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25649938
37032,CCOc1cc2c(cc1OC)CCC(Cc1cc(OCCOC)ccc1OC)N2,[*]CCOc1ccc(O[*])c([*])c1,0.34502771
37033,CNc1ccccc1N1CCN(CCN2CCC(c3nc(-c4ccccc4)cs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.49626988
37034,COC(=O)c1ccc(C(=O)NCCN2CCN(OC)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.21544008
37035,COC1CCN(CCN2CCN(c3ccccc3-c3cnc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8064873
37036,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3cc4ccc(O)cc4[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6265175
37037,COCCOc1ccc(OC)c(CCNc2cccc(F)n2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.077998295
37038,COc1cc2c(cc1C(=O)Oc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45621157
37039,COc1cc2c(cc1O)C1Cc3cccc(C(=O)NCc4ccc(Cl)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52061003
37040,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)NCc4c(OC)cccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4521169
37041,COc1ccc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)cc1O[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.93162084
37042,COc1ccc(Cc2cccc3c2CN2CCc4cc(OC)c(CO[O-])cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56180185
37043,COc1ccc(OCCN2CCC(Cc3csc4ccccc34)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.6105656
37044,COc1ccc(OCCN2CCC(Nc3cccc(C(F)(F)F)c3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.37925532
37045,COc1ccc(OCCN2CCc3cc(CC(C)=O)ccc3C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.44000903
37046,COc1ccc(OCCNC(C)=O)cc1CN1CCC(C(=O)N2C(=O)CCc3ccccc32)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2528973
37047,COc1ccc(OCCNS(=O)(=O)C(F)(F)F)cc1N1CCC(Cc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.30049118
37048,COc1ccc(OCCNS(=O)(=O)c2ccc(F)cc2)cc1C1CCN(S(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22202621
37049,COc1ccc(OCCS(C)(=O)=O)cc1CCN1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7720935
37050,COc1ccc2[nH]c(-c3cccc4c3CN3CCc5cc(OC)c(O)cc5C3C4)cc2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70268816
37051,COc1cccc(CN2CCN(CCCC3OC(=O)Cc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6877115
37052,COc1cccc(CN2CCN(CCCN3C(=O)CCc4c(OC)cccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55276823
37053,COc1cccc2c1CN1CCc3cc(C(=O)Nc4c(Cl)cccc4Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4281488
37054,COc1ccccc1-c1cc(C(=O)NCCN2CCN(C(C)=O)CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.19772491
37055,COc1ccccc1N1CCN(CCN2CCC(C3CC3c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7561837
37056,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cccnc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8257087
37057,COc1ccccc1N1CCN(CCN2CCC(n3ccc(-c4ccccc4)c3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8397715
37058,Cc1cc(OCCF)ccc1ONS(=O)c1ccccc1C(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.07966462
37059,Cc1cc(OCCN2CCCC(Cc3cccc4c3NC(=O)CC4)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.44237563
37060,Cc1cc(OCCNCSc2ccc(F)cc2)ccc1OS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.049738966
37061,Cc1cc(OCCNCc2cccs2)ccc1ON1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.13612099
37062,Cc1cc(OCCSCc2ccc(F)cc2)ccc1ON1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3030554
37063,Cc1ccccc1N1CCN(CCN2CCC(c3cccc(Cl)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72920805
37064,O=C(CSc1ccccc1)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.22917491
37065,O=C(NCCCN1CCN(Cc2cccc(-c3cccc4cccc(O)c34)c2)CC1)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.38483316
37066,O=[N+]([O-])c1ccc(-c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51224625
37067,Oc1cc2c(cc1Cc1cccc(Br)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7162326
37068,Oc1cccc2c1CN1CCc3cc(-c4cc(Br)c[nH]4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6916514
37069,CCCOc1ccc(OCN2CCN(C)S(=O)(=O)C2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30260298
37070,CCCOc1ccc(ONC(C)=O)c(N2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21840237
37071,CCCOc1ccc(OSC)c(CN2CCN(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4767361
37072,CCCSc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69481647
37073,CCCc1cc(-c2cc(OCCS(C)(=O)=O)ccc2OC)n(CC)n1,[*]CCOc1ccc(O[*])c([*])c1,0.08006339
37074,CCCc1cc2c(cc1-c1ccc(OC)cc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7335015
37075,CCOC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccc(O)cc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6992624
37076,CCOc1cccc(CN2CCN(CCCCc3ccccc3OC)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6337203
37077,CCOc1ccccc1N1CCN(c2cc(OCCN=CO)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.30106145
37078,COC(=O)c1cc(OCCN2CCN(c3ccccc3C(C)C)CC2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.73661405
37079,COC(=O)c1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2782473
37080,COC1CCN(CCN2CCN(c3ccccc3C3Cc4ccccc4C3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8524837
37081,COCCOc1ccc(OC)c(CNCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10234781
37082,COCCOc1ccc(OCCOc2ccccc2Cl)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12059566
37083,COc1cc2c(cc1CNC(=O)c1cccc3ccccc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46638268
37084,COc1cc2c(cc1O)C1Cc3cccc(-c4ccoc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71739876
37085,COc1cc2c(cc1S(=O)(=O)CCc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64512753
37086,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1cccc(OC)c1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30280834
37087,COc1ccc(CNC(=O)Oc2ccc(OCCNS(C)(=O)=O)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.021007558
37088,COc1ccc(COc2cc3c(cc2OC)C2Cc4cccc(C#N)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7915679
37089,COc1ccc(OCCC2(c3ccc(Cl)cc3)CCNCC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.201029
37090,COc1ccc(OCCN2CCCCC2)cc1CS(=O)(=O)NC(C)(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.28032696
37091,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1CN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.117810905
37092,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Cc2ccc3c(c2)NC(C)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.36063877
37093,COc1ccccc1-c1cc(C(=O)NCCN2CCN([N+](=O)[O-])CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26213726
37094,COc1ccccc1-c1cc(C(=O)NCCN2CCN([O-])CC2)ccc1S(C)(=O)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33851054
37095,COc1ccccc1N1CCN(CCN2CCC(c3cc(F)ccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78957707
37096,COc1ccccc1N1CCN(CCN2CCC(c3cn4cc(Cl)ccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82543296
37097,COc1ccccc1N1CCN(COc2ccc(OCCc3cccs3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.631902
37098,COc1ccccc1NCCCOc1ccc(OC)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09271754
37099,CSOc1ccc(OCCN2CCC(NS(=O)(=O)c3cccc(Cl)c3F)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.63445556
37100,CSc1ccc(C(=O)C2CCN(CCOc3ccc(OCCF)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.60120815
37101,Cc1cc(OCCC2C(=O)CCc3ccc(CCC(F)(F)F)cc32)ccc1OS(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.20492758
37102,Cc1cc(OCCCN2CCC(Oc3ccc(F)cc3)CC2)ccc1OS(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.64804983
37103,Cc1cc(OCCCS(=O)(=O)Cc2ccc(F)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.09165105
37104,Cc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6163018
37105,Cn1c(=O)c2ccccc2n1CCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51151776
37106,N#CC1CCN(CCN2CCN(c3ccccc3C(O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74513495
37107,O=C(CCCN1CCN(Cc2cccc(F)c2)CC1)c1cc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6425634
37108,O=C(Nc1cccc(Cl)c1Cl)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3776048
37109,O=S1(=O)Cc2ccccc2C(CCCN2CCN(Cc3cccc(F)c3)CC2)C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66344994
37110,Oc1cc(-c2cccc(CN3CCN(CCCF)CC3)c2)c2ccccc2n1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6771722
37111,Oc1cc2c(cc1OCc1cc(F)cc(F)c1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6096651
37112,Oc1ccc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)nc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6746979
37113,Oc1cccc2c1CN1CCc3cc(-c4ccc(N5CCCCC5)cc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5133114
37114,Oc1cccc2c1CN1CCc3cc(C=NOCc4cccc(Cl)c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6580982
37115,Sc1ccc(CCCN2CCN(Cc3cccc(Cl)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.73814964
37116,CC(=O)Oc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5139328
37117,CC(=O)c1cccc(C2CCCN(CCOc3ccc(ON=S(C)(=O)O)c(C)c3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3421969
37118,CCCOc1ccc(OC(=O)NS(C)(=O)=O)c(N2CCC(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.199472
37119,CCCOc1ccc(ON2CCC(C)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39748892
37120,CCCOc1ccc(OOC)c(CNC(=O)c2ccc(Cl)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03307259
37121,CCCOc1ccc(OS(N)(=O)=O)c(Cc2ccc(Cl)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.114762105
37122,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(Oc3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33653253
37123,CCc1ccccc1OC1CCN(CCOc2ccc(OC)c(C(N)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.50723153
37124,COCCCN1CCN(Cc2cccc(C3NCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62633854
37125,COCc1cccc(-c2cc3c(cc2OC)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65428865
37126,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1cccc(OC)c1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27161655
37127,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(OCC(F)(F)F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6325579
37128,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccccc4C=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6752813
37129,COc1cc2c(cc1O)CCN1Cc3c(C=Nc4c(OC)cccc4OC)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7391727
37130,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)C3CC3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58807206
37131,COc1cc2c(cc1OC)C1Cc3cccc(-c4cccc(O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71735156
37132,COc1cc2c(cc1OC)C1Cc3cccc(C4CC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7960401
37133,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(CCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74565
37134,COc1ccc(OCCCN2CCC(Oc3ccc(F)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.81038886
37135,COc1ccc(OCCCN2CCN(c3ccc(F)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.77775586
37136,COc1ccc(OCCCN2CCc3ccccc3C2)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.56532735
37137,COc1ccc(OCCN(C)C)cc1C1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.35635656
37138,COc1ccc(OCCN=S(C)(=O)O)cc1CC(=O)N1CCCc2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.076646134
37139,COc1ccc(OCCN=S(C)(=O)O)cc1CCF,[*]CCOc1ccc(O[*])c([*])c1,0.041619442
37140,COc1ccc(OCCS(C)(=O)=O)cc1Cn1ccc(CCF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09840127
37141,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Cc2cc(F)ccc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29336876
37142,COc1cccc(CN2CCN(CCCC3=CC(=O)c4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5366127
37143,COc1cccc(CN2CCN(CCCC3CCc4ccc(OC)cc4C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72146183
37144,COc1cccc(CN2CCN(CCCCNC(=O)c3cccc(OC)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5850128
37145,COc1cccc(O)c1-c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72365266
37146,COc1cccc2c1CN1CCc3cc(N(C)C)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7683492
37147,COc1ccccc1-c1cc(C(=O)NCCN2CCN(OCCF)CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.37957013
37148,COc1ccccc1N1CCN(CCN2CCC(CC(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81387013
37149,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cccc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.89974207
37150,COc1ccccc1N1CCN(CCN2CCC(c3cccc(-c4ccc(F)cc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.86976165
37151,COc1ccccc1N1CCN(CCN2CCC(c3coc(O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68675995
37152,COc1ccccc1N1CCN(COc2ccc(OCCCS(=O)(=O)c3ccc(F)cc3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.54290557
37153,CSOc1ccc(OCCN2CCC(C(=O)Cc3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.53776425
37154,CSc1ccccc1OCCCOc1ccc(ON=S(C)(=O)O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09276055
37155,Cc1cc(OCCCN2CCC(Cc3ccc4ccccc4c3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.61200804
37156,Cc1cc(OCCN2CCCC(COc3ccc4c(c3)NC(=O)CC4)C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.40273592
37157,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(Oc2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23313357
37158,Cc1cc2c(cc1COC(C)(C)C)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70553553
37159,Cc1cc2c(cc1O)C1Cc3cccc(Br)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7142786
37160,Cc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1cccc(Cl)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.28820986
37161,Cc1ccc2c(-c3cc(C(=O)NCCN4CCN(C)CC4)ccc3Cl)cccc2n1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30369172
37162,Clc1ccc(CCCN2CCN(Cc3cccc(N4CCCC4)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.661443
37163,N#Cc1cccc(NC2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.786019
37164,O=S(=O)(NCCCCN1CCN(Cc2cccc(F)c2)CC1)c1cc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6063153
37165,O=[N+]([O-])c1ccccc1N1CCN(CCN2CCC(n3cc4ccccc4c3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5926917
37166,Oc1ccccc1-c1cccc(CN2CCN(CCCOC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6416774
37167,C#CN1CCN(CCNC(=O)c2ccc(C)c(-c3ccccc3OC)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3479824
37168,C=Cc1cc2c(cc1-c1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6166318
37169,CC(=O)Nc1ccccc1-c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.30426952
37170,CC(=O)c1ccc(OC2CCCN(CCOc3ccc(ON)c(C)c3)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.29128376
37171,CCCOc1ccc(ON2CCN(c3ccccc3OC)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39184287
37172,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(Cc3ccc4c(c3)CCC(=O)N4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32892504
37173,CCCOc1ccc(OS(C)(=O)=O)c(CN2CCC(c3ccc(OC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.53463656
37174,CCCOc1ccc(OS(C)(=O)=O)c(N2CCN(c3ccc(OCC(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25494802
37175,CCOC(=O)Oc1ccc(OCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6466065
37176,CCOc1ccccc1N1CCN(CCN2CCC(c3ccc(CN(C)C)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79555064
37177,CNC(=O)c1ccc2cc(-c3cccc(CN4CCN(CCCOC)CC4)c3)ccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.35007122
37178,COC(=O)Nc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4032433
37179,COCCCN1CCN(Cc2cccc(Cn3ccn(-c4ccccc4)c3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5145784
37180,COCCOc1ccc(OC)c(NC(=O)c2ccc3ccccc3c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.02086737
37181,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3ccco3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7417183
37182,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc5c(c4)OCO5)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63742405
37183,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1cccc(Cl)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3444998
37184,COc1ccc(CNC2CCC(Oc3cccc4c3CN3CCc5cc(O)c(O)cc5C3C4)CC2)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6321879
37185,COc1ccc(OCCC(=O)Cc2ccc(OC3CCNCC3)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.09538222
37186,COc1ccc(OCCF)cc1OC1CCc2ccc(S(C)(=O)=O)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.2961138
37187,COc1ccc(OCCN2CCC(C(=O)c3ccc(F)cc3F)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.51278746
37188,COc1ccc(OCCN2CCC(CCC(F)(F)F)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.47155902
37189,COc1ccc(OCCN2CCCCC2)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.29469264
37190,COc1ccc(OCCNC(=O)Cc2ccc3ccccc3c2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.015717149
37191,COc1ccc(OCCNS(C)(=O)=O)cc1C1CCCC(Cc2ccc3c(c2)NC(=O)CC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.26964036
37192,COc1ccc(OCCS(C)(=O)=O)cc1CCOc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.11509645
37193,COc1ccc2ccc(CC3CCN(CCCOc4ccc(OS(C)(=O)=O)c(C)c4)CC3)cc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.53462267
37194,COc1cccc(CN2CCN(CCCCCc3ccccc3OC)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.765328
37195,COc1cccc([N+](=O)[O-])c1-c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4231146
37196,COc1cccc2c1CN1CCc3cc(C#Cc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7258926
37197,COc1ccccc1N1CCN(CCN2CCC(c3nccc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8444502
37198,CSc1ccc2c(c1)CC(NCCOc1ccc(ON=S(C)(=O)O)c(C)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.36888224
37199,Cc1cc(OCCF)ccc1ONC1CCCC(C(N)=O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.068128064
37200,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCC4)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.49479973
37201,Cc1cc(OCCN2CCC(O)C(c3ccc(F)cc3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.40935683
37202,Cc1cc2c(cc1C#N)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6025128
37203,ClC1CCN(CCN2CCN(c3ccccc3Cc3nccc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7020192
37204,Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7800364
37205,O=C(NCCCCN1CCN(Cc2cccc(Cl)c2)CC1)c1nc2ccccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6348694
37206,O=C(NCc1ccccc1Cl)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43007433
37207,O=C(O)CCc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5100155
37208,O=[N+]([O-])c1cccc(-c2cc3c(cc2O)C2Cc4cccc(Br)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42744717
37209,Oc1cc2c(cc1-c1ccccc1F)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6901137
37210,Oc1ccc2cccc(Oc3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)c2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67877585
37211,Oc1cccc2c1CN1CCc3cc(Nc4c(Cl)cccc4Cl)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.668632
37212,c1ccc(CCCN2CCN(Cc3cccc(-c4cc5ccccc5o4)c3)CC2)nc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6647719
37213,CC(C)(C)c1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6682398
37214,CC(C)Oc1ccccc1N1CCN(CCN2CCC(Nc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8414847
37215,CC(C)c1ccccc1N1CCN(CCN2CCC(n3cccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7605288
37216,CCCOc1ccc(OCNS(C)(=O)=O)c(CCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07813817
37217,CCCOc1ccc(ON2CCC(CC(=O)c3ccccn3)CC2)c(NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18561335
37218,CCCOc1ccc(ONS(C)(=O)=O)c(CN2C(=O)COc3ccccc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.101160385
37219,CCCOc1ccc(OOS(C)(=O)=O)c(CCCc2cccs2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09173051
37220,CCCOc1ccc(OS(C)(=O)=O)c(CCOc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11675228
37221,CCOC(=O)C1CCCN(CCOc2ccc(OC)c(S(C)(=O)=O)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2318338
37222,COC(=O)c1cccc(-c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45155847
37223,COC1CCN(CCN2CCN(c3ccccc3-c3cnc4ccc(F)cc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64710116
37224,COC1CCN(CCN2CCN(c3ccccc3OCC#Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8853128
37225,COCCCN1CCN(Cc2cccc(CNC(=O)c3ccc4c(c3)Cc3ccccc3-4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5397914
37226,COCCOc1ccc(OC)c(CCOc2ccccc2F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1701851
37227,COCCOc1ccc(OC)c(N2CCN(C(=O)c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.075113334
37228,COCc1cc2c(cc1OC)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7196235
37229,CON1CCN(CCNC(=O)c2ccc(C)c(-c3ccc(O)o3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.19531488
37230,COOc1ccc(OCCOC(C)COc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.13131934
37231,COc1cc2c(cc1Cc1ccccc1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56194186
37232,COc1cc2c(cc1NOCc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60341156
37233,COc1cc2c(cc1O)CCN1Cc3c(CCNOCc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6508293
37234,COc1cc2c(cc1O)CCN1Cc3c(cccc3NCc3ccc(C)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42510834
37235,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc5ccccc5c4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72517824
37236,COc1cc2c(cc1OC)C1Cc3cccc(Oc4cccc(Cl)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61153924
37237,COc1ccc(OCCCCCc2ccccc2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.11746993
37238,COc1ccc(OCCS(C)(=O)=O)cc1CN1CCC(C(=O)c2ccc(SC)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.34757018
37239,COc1ccc(OCCS(C)(=O)=O)cc1N1Cc2cc(CC3CCCCC3)ccc2CC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.18707238
37240,COc1ccc(OCCS(C)(=O)=O)cc1NCCc1ccoc1,[*]CCOc1ccc(O[*])c([*])c1,0.055020265
37241,COc1ccc(OCCSC)cc1CNC(=O)c1ccc(CCF)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.035492647
37242,COc1ccc(OCCc2ccc(C3CCCCC3)cc2)cc1C(C)S(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.16428734
37243,COc1ccc(OCCc2ccc(F)cc2)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.75456655
37244,COc1ccc2c(c1)CC(NC(=O)c1ccccc1N1CCN(CCN3CCC(Cl)CC3)CC1)CC2,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6725838
37245,COc1cccc(CN2CCN(CCCCc3ccnc(-c4ccccc4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6768397
37246,COc1cccc2c1CN1CCc3cc(N(C)C)c(Oc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7068279
37247,COc1ccccc1N1CCN(CCCOc2ccc(OS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8623041
37248,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc(N(C)C)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76686007
37249,COc1ccccc1N1CCN(CCN2CCC(c3cc4ccccc4s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8445882
37250,COc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4cccnc4)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8446708
37251,COc1ccccc1N1CCN(CCN2CCC(c3ncco3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8781743
37252,COc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccc4)nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80037016
37253,CSc1ccc(OC2CCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.45843223
37254,Cc1cc(OCCF)ccc1ONC(=O)CN1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.23204193
37255,Cc1cc(OCCN2CCC(Cc3ccccc3)CC2)ccc1ON=CS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.4958138
37256,Cc1cc(OCCN2CCC(c3ccccn3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.7255321
37257,Cc1cc(OCCNCCc2ccc(F)cc2)ccc1ONS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.084135115
37258,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCCC(Cc2ccc(OC3CCC3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.22361197
37259,Cc1ccccc1N1CCN(CCN2CCC(OCC#Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5820701
37260,Clc1cccc(CN2CCN(CCCC3CCc4ccccc4O3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.75563186
37261,O=C(Nc1cccc2c1CN1CCc3cc(CO)c(O)cc3C1C2)OCc1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.30319592
37262,O=C1CCc2ccc(Oc3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)cc2N1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7969272
37263,O=[N+]([O-])c1cccc(CN2CCN(CCCc3ccc(F)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5456768
37264,Oc1ccccc1N1CCN(CCN2CCC(c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7868889
37265,CC(=O)NCCOc1ccc(ONS(=O)(=O)c2ccc(C3CCCCC3)cc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.033203855
37266,CCCCN1CCN(Cc2cccc(Nc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.43533036
37267,CCCOc1ccc(OC(C)=O)c(N2CCN(C(C)c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09448762
37268,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(Cc3ccc4c(c3)CCC(=O)N4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2668564
37269,CCCOc1ccc(OS(C)(=O)=O)c(C2CC(c3ccc(F)cc3)CCN2CC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34434882
37270,CCCOc1ccc(OS(C)(=O)=O)c(CCCc2cccc3c2CCC(NCC)C3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6365674
37271,CCOc1ccccc1C1=CCN(CCOc2ccc(ONC)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.39188153
37272,CCOc1ccccc1OCCCOc1ccc(ON)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09341099
37273,CCc1cc2c(cc1COC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6243885
37274,CCc1cc2c(cc1O)C1Cc3cccc(-c4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6370803
37275,CNOc1ccc(OCCC(O)CCc2ccc3c(c2)CC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.1051242
37276,COC(=O)NCCOc1ccc(OC)c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15704729
37277,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(C)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6742684
37278,COC1CCN(CCN2CCN(c3ccccc3Cc3ccc4nc(O)cnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6332529
37279,COC1CCN(CCN2CCN(c3ccccc3N3CCN(c4ccc(F)cc4)C3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69885373
37280,COCCOc1ccc(ON2CCCN(c3ccc(CCF)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27911022
37281,COc1cc2c(cc1C)CCN1Cc3c(CNC(C)=O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41847014
37282,COc1cc2c(cc1CO)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6867442
37283,COc1cc2c(cc1O)C1Cc3cccc(C4CCCC(OCc5ccccc5)C4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6583206
37284,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccc(COC(C)=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55308753
37285,COc1cc2c(cc1OC)C1Cc3cccc(CN(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.80704933
37286,COc1cc2c(cc1OC)C1Cc3cccc(S(=O)(=O)c4ccc(C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4236483
37287,COc1ccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2S(C)(=O)=O)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.24970038
37288,COc1ccc(OCCC(=O)CCc2ccc(F)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.032616336
37289,COc1ccc(OCCC2CCN(Cc3ccc(Cl)cc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.6560213
37290,COc1ccc(OCCCN=O)cc1CN1CCCN(c2ccccc2OCCF)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.663104
37291,COc1ccc(OCCN(C)C)cc1NCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.1970543
37292,COc1ccc(OCCN2CCCC(c3cccc(SC)c3)C2)cc1O,[*]CCOc1ccc(O[*])c([*])c1,0.54055095
37293,COc1ccc(OCCNC=O)cc1CN1CCC(C(=O)c2ccc(SC)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.36547396
37294,COc1ccc(OCCc2cccs2)cc1NC(=O)C1CCNC1,[*]CCOc1ccc(O[*])c([*])c1,0.07140496
37295,COc1cccc(CN2CCN(CCCC3CN(c4ccc(Cl)cc4)c4ccccc4N3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7018484
37296,COc1cccc(CN2CCN(CCCSN3C(=O)CCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64842
37297,COc1cccc(CN2CCN(CCCc3cccc(O)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6478517
37298,COc1ccccc1N1CCN(CCCOc2ccc(Oc3ccc(F)nc3)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.9017008
37299,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73548114
37300,COc1ccccc1N1CCN(CCN2CCC(C(O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8876843
37301,CSOc1ccc(OCCNCC(=O)c2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.061083257
37302,CSc1ccc(Oc2ccc(OCCNCc3ccccc3)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.2900107
37303,Cc1cc(OCCCC(=O)c2ccc(F)cc2)ccc1ON1CC(C)O[SH](C)C1,[*]CCOc1ccc(O[*])c([*])c1,0.07719745
37304,Cc1cc(OCCN2CCC(Oc3ccc4c(c3)NC(=O)CCS4)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.52760136
37305,Cc1cc(OCCN2CCCC(Oc3ccc(C4CCCCC4)cc3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.40848875
37306,Cn1c(O)nc2ccc(Oc3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)cc21,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6463673
37307,O=C(Cc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1)N1Cc2ccccc2C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5486596
37308,O=C(NCc1cccc(CN2CCN(CCCCl)CC2)c1)C1CCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5535836
37309,O=C1CCC(c2cccc(CN3CCN(CCCCl)CC3)c2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6165309
37310,O[SH](c1ccc(F)cc1)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72401434
37311,Oc1cc2c(cc1-c1ccc(F)cc1F)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7127928
37312,[O-]c1ccc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7116159
37313,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccccc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82140714
37314,CCCOc1ccc(OCCCc2ccc(F)cc2)c(CN2CCN(c3cccc(OC)c3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5489446
37315,CCCOc1ccc(OCN2CCN(c3cccc(Cl)c3Cl)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8141502
37316,CCCOc1ccc(ON=S(C)(=O)O)c(CCCc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2350412
37317,CCCOc1ccc(ONC(=O)c2ccc(F)cc2)c(CN2CCN(C=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21534178
37318,CCCOc1ccc(ONS(C)(=O)=O)c(-c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.085809216
37319,CCCOc1ccc(ONS(C)(=O)=O)c(-c2ccccc2CCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1001383
37320,CCCOc1ccc(OOC)c(N2CCC(C(C)=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17136851
37321,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)Cc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.00615735
37322,CCCOc1ccc(OS(N)(=O)=O)c(CNc2ccccc2CCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08613707
37323,CCOc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7379928
37324,COC(=O)CCCN1CCN(Cc2cccc(Cc3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5337072
37325,COC(=O)CCOc1ccc(OC)c(N2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22481193
37326,COC(=O)c1ccccc1N1CCN(CCN2CCC(n3ccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6809329
37327,COC1CCN(CCN2CCN(c3ccccc3-c3cccnc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80976087
37328,COCCOc1ccc(Oc2cccc(C(=O)N3CCCCC3)c2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03149963
37329,COOc1ccc(OCCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.71562684
37330,COc1cc(C(=O)NCCN2CCN(c3cccc(C)n3)CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.5669633
37331,COc1cc2c(cc1OC)C1Cc3cccc([N+](=O)c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69844383
37332,COc1cc2c(cc1OC)CCN(CCCOc1ccc(ONS(C)(=O)=O)c(C)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.61354727
37333,COc1cc2c(cc1OCc1ccc(C(C)C)cc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6682401
37334,COc1ccc(COc2cccc3c2CN2CCc4cc(C)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.669864
37335,COc1ccc(OCCC(=O)c2ccc(F)cc2)cc1N1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2825813
37336,COc1ccc(OCCC(C)Cc2ccccc2)cc1OC1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.3158931
37337,COc1ccc(OCCCCCc2ccc(F)cc2)cc1OS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.11762382
37338,COc1ccc(OCCCS(N)(=O)=O)cc1NCC1C(=O)CCc2ccc(OCC(F)(F)F)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.21095559
37339,COc1ccc(OCCCn2ccc(CCCF)c2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10900042
37340,COc1ccc(OCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.6233787
37341,COc1ccc(OCCN=S(C)(=O)O)cc1C(C)Cc1ccc2c(c1)CCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.16409698
37342,COc1ccc(OCCOS(=O)(=O)C(F)(F)F)cc1N1CCCC(Cc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.26760837
37343,COc1ccc(OCCS(C)(=O)=O)cc1CN1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4191962
37344,COc1ccc2[nH]cc(C(=O)c3cccc4c3CN3CCc5cc(OC)c(OC)cc5C3C4)c2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4978784
37345,COc1cccc2c1CN1CCc3cc([N+](=O)Cc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6086306
37346,COc1ccccc1-c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.629316
37347,COc1ccccc1Cc1cc(C(=O)NCCN2CCN(S(N)(=O)=O)CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.24438015
37348,CSOc1ccc(OCCNS(=O)(=O)c2ccc(C3CCCC3)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.1318128
37349,Cc1cc(OCCC=Cc2ccc(F)cc2)ccc1ON=S(C)(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08415432
37350,Cc1cc(OCCCCSc2ccccc2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.096007735
37351,Cc1cc(OCCF)ccc1ONC(=O)c1ccc(CN2CCN(C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.22837086
37352,Cc1cc(OCCNC(=O)Cc2ccccc2)ccc1ON1CCC(O)=NC1,[*]CCOc1ccc(O[*])c([*])c1,0.04567746
37353,Clc1cccc(CN2CCN(CCCC=Cc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7409787
37354,FC(F)(F)c1cccc(CN2CCN(CCCCNc3cccs3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69070786
37355,Fc1ccc(-c2ccc(C3CCN(CCN4CCN(c5ccccc5F)CC4)CC3)cc2)nc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7036967
37356,N#Cc1c[nH]c(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7319001
37357,O=C(c1cccc(CN2CCN(CCCCl)CC2)c1)N1c2ccccc2CS1(=O)=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62048787
37358,OC(c1ccc(F)cc1)C1CCN(CCN2CCN(c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65827215
37359,Oc1ccc(-c2cccc(CN3CCN(CCCF)CC3)c2)o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6125388
37360,Oc1cccc(C2CCN(CCN3CCN(c4ccccc4F)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7117966
37361,CCCOc1ccc(OC(N)=O)c(N2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1765465
37362,CCCOc1ccc(OC)c(CN2CCN(C(C)=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13493368
37363,CCCOc1ccc(OCN2CCC(c3ccc(F)cc3)CC2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5027927
37364,CCCOc1ccc(OCNc2ccccc2OCC)c(NS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07288287
37365,CCCOc1ccc(ON2CCN(C)CC2)c(OCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5037166
37366,CCCOc1ccc(ON2CCN(CCc3ccccc3OC)CC2)c(N)c1,[*]CCOc1ccc(O[*])c([*])c1,0.71839756
37367,CCCOc1ccc(OOC)c(N2CCN(c3ccccc3Cl)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3686531
37368,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCC(Oc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36105365
37369,CCCOc1ccc(OS(N)(=O)=O)c(NC(=O)OCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.083318055
37370,CCOC(=O)Nc1ccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.29620782
37371,CCOc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3ccc(OC)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.660376
37372,CCOc1ccc(CC2CCCN(c3cc(OCCS(C)(=O)=O)ccc3OC)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.22811966
37373,CCOc1cccc2c1CN1CCc3cc(OC)c(OC(=O)Cc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39102688
37374,CNCc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70671993
37375,CNc1ccc(C2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)nc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78047293
37376,COC(=O)c1cc2c(cc1C)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40903893
37377,COC1CCN(CCN2CCN(c3ccccc3-n3cc4ccc(O)nc4c3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69449407
37378,COC1CCN(CCN2CCN(c3ccccc3Oc3cnc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.86504686
37379,COCCOc1ccc(OC)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.097603165
37380,CON1CCN(CCNC(=O)c2ccc(C=O)c(-c3cccc(C)c3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30615404
37381,COc1cc2c(cc1O)CCN1Cc3c(C=Nc4ccc(C#N)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75333464
37382,COc1cc2c(cc1OC)C1Cc3cccc(-c4cccn4C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7294155
37383,COc1cc2c(cc1OC)C1Cc3cccc(Br)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.86462903
37384,COc1ccc(OCCC(C)C)cc1N1CCC(Cc2ccc3c(c2)N(C(C)=O)C(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27502397
37385,COc1ccc(OCCCSCC2C=CC=C(F)C2=O)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07711453
37386,COc1ccc(OCCN2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.542826
37387,COc1ccc(OCCN2CCCC(Cc3ccc(F)cc3)C2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.3952717
37388,COc1ccc(OCCNC(=O)c2ccc(C)s2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.024521293
37389,COc1ccc(OCCNC(C)=O)cc1NCCC1CCc2ccccc2C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.18995227
37390,COc1ccc(OCCS(N)(=O)=O)cc1CCCc1ccccc1OC1CCNC1,[*]CCOc1ccc(O[*])c([*])c1,0.3251249
37391,COc1ccc(OCC[SH](C)(N)=O)cc1NC(=O)Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.011389476
37392,COc1ccc2cc(-c3cccc4c3CN3CCc5cc(O)c(O)cc5C3C4)ccc2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61525804
37393,COc1cccc(-c2cc(C(=O)NCCN3CCN(Cl)CC3)ccc2C)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2645884
37394,COc1cccc(CN2CCN(CCCC(=O)c3cccc(C)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.47729632
37395,COc1cccc(CN2CCN(CCCCNc3ccc4ccccc4n3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6072482
37396,COc1cccc2c1CCC(=O)N2c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5674268
37397,COc1cccc2c1CN1CCc3cc([N+](=O)[O-])c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5517492
37398,Cc1cc(OCCN2CCC(c3ccccc3OC3CCC3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6371726
37399,Cc1cc(OCCN2CCCC(CCc3ccc(F)cc3)C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.3472443
37400,Cc1cc(OCCNCc2cccc(OCC(F)(F)F)c2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13215698
37401,Cc1cc(OCCNS(C)(=O)=O)ccc1Oc1cccc(CCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.095712215
37402,Cc1cccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2[O-])c1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.24787523
37403,Cc1ccccc1-c1cc(C(=O)NCCN2CCN(O)CC2)ccc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2362623
37404,FC(F)(F)c1cccc(CN2CCN(CCCc3ccc4c(c3)OCO4)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5012195
37405,O=c1[nH]c2ccccc2c(=O)n1-c1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5850098
37406,Oc1cc2c(cc1Br)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7516059
37407,Oc1cccc2c1CN1CCc3cc(NC4CCCCC4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47940817
37408,c1ccc(CCCN2CCN(Cc3cccc(-c4ccccn4)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67206705
37409,C=Cc1ccccc1OC1CCCN(c2cc(OCCN=S(C)(=O)O)ccc2OC)C1,[*]CCOc1ccc(O[*])c([*])c1,0.20944493
37410,CCCCN1CCN(Cc2cccc(CNC(=O)c3ccccc3OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.39423582
37411,CCCOc1ccc(OCCCc2ccc(F)cc2)c(-c2cccc(OC)c2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2095947
37412,CCCOc1ccc(ON)c(NC(=O)c2ccccc2C2CCCN2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1622271
37413,CCCOc1ccc(OSC)c(CC2CCN(C(=O)c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06627664
37414,CCOc1ccc(CCc2cc(OCCS(C)(=O)=O)ccc2OC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06744173
37415,CCOc1ccccc1N1CCCN(c2cc(OCCC(=O)OC)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18697031
37416,COC(=O)N1CC(CCCN2CCN(Cc3cccc(Cl)c3)CC2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48737553
37417,COC1CCN(CCN2CCN(c3ccccc3NCC3COc4ccc(O)cc4C3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4312172
37418,COCCCN1CCN(Cc2cccc(-c3cccc4ccc(C(N)=O)cc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4115209
37419,COCCCN1CCN(Cc2cccc(CCNC(=O)c3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.50811654
37420,COCc1cccc(-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6931721
37421,COOc1ccc(OCCNCC2CCc3ccccc3C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.3090128
37422,COc1cc2c(cc1O)CCN1Cc3c(C=Nc4cccc(Cl)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7110482
37423,COc1cc2c(cc1OC)C1Cc3cccc(-c4c5ccnc4COC=CC=CC=C5)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47482845
37424,COc1ccc(CNC(=O)c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5176533
37425,COc1ccc(OCCCNC(=O)c2ccc(C)s2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.05219133
37426,COc1ccc(OCCF)cc1C1CC(S(=O)(=O)c2ccc(CC(F)(F)F)cc2)CCN1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.24793187
37427,COc1ccc(OCCF)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06609984
37428,COc1ccc(OCCN2CCC(Oc3ccc4c(c3)NC(=O)CCC4)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6227199
37429,COc1ccc(OCCN=S(C)(=O)O)cc1NC(=O)Cc1ccc(C2CCCCN2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.015015415
37430,COc1ccc(OCCN=S(C)(=O)O)cc1OC(=O)Cc1ccc(C2CCCCN2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.08126564
37431,COc1ccc(OCCNC(C)=O)cc1CNCC1Cc2ccccc2CC1C,[*]CCOc1ccc(O[*])c([*])c1,0.1957466
37432,COc1ccc(OCCNCCc2cccc(F)c2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.20848635
37433,COc1ccc(OCCNS(C)(=O)=O)cc1C(C)COc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.1616221
37434,COc1ccc(OCCc2ccc(SC)cc2)cc1CCOC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.024586203
37435,COc1cccc(CN2CCN(CCCC3CCCC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68649065
37436,COc1cccc(CN2CCN(CCCCn3cc(C)c(-c4ccccc4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62076765
37437,COc1cccc2c1CN1CCc3cc(NC(=O)OC(C)(C)C)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4093503
37438,COc1ccccc1N1CCN(CCOc2ccc(Oc3cccc(CCF)c3)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7654394
37439,COc1ccccc1Nc1ccccc1N1CCN(CCN2CCC(OC(C)C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.49393985
37440,Cc1cc(OCCN2CCC(O)(c3ccc(Cl)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.53803974
37441,Cc1cc(OCCN=S(C)(=O)O)ccc1ONCCc1ccc2c(c1)CCOC2,[*]CCOc1ccc(O[*])c([*])c1,0.096193746
37442,Cc1cc(OCCNC(=O)C2CCCNC2)ccc1OF,[*]CCOc1ccc(O[*])c([*])c1,0.05975098
37443,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCCC2C=CC(=CC=C(OC3CCCC3)C1)C2,[*]CCOc1ccc(O[*])c([*])c1,0.16629054
37444,Cc1cc(OCCS(C)(=O)=NO)ccc1ON1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.15241371
37445,Cc1ccc(C(=O)NCCN2CCN([N+](=O)[O-])CC2)cc1-c1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26223174
37446,Cc1ccccc1N1CCN(CCN2CCC(c3ncccc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6502673
37447,ClC1CCN(CCN2CCN(c3ccccc3-c3cccc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7925202
37448,O=C(NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)c1cc2ccccc2cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7996986
37449,O=C(NC1CCN(CCN2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1)c1ccc2ccccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5657499
37450,O=C1CCc2cccc(-c3cccc(CN4CCN(CCCCl)CC4)c3)c2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65813434
37451,OC1CCN(CCN2CCN(c3ccccc3-c3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7549657
37452,Oc1cc2c(cc1O)C1Cc3cccc(-c4cc(F)cc(F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6616832
37453,Oc1ccc2c(-c3cccc(CN4CCN(CCCF)CC4)c3)cccc2n1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6170323
37454,Oc1cccc(Cc2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8051161
37455,C=S(O)(O)=NOc1ccc(OCCN2CCC(Oc3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6082403
37456,CC(=O)Oc1ccc(OCCN2CCC(Nc3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.38035867
37457,CC1c2ccccc2CN1C(=O)c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69607866
37458,CCCOc1ccc(OCF)c(N2CCCC2CNC(=O)c2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18853216
37459,CCCOc1ccc(OCOCCN2CCN(c3ccccc3OC)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.84313387
37460,CCCOc1ccc(OF)c(CN2CCN(C(=O)c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.090147845
37461,CCCOc1ccc(ON)c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27760726
37462,CCCOc1ccc(ONC(=O)c2ccc(F)cc2)c(CNc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.018906431
37463,CCCOc1ccc(OOC)c(NC(=O)c2cccc(SC)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.026765756
37464,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)COc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.077559665
37465,CCCOc1ccc(OS(C)(=O)=O)c(NCCC2CCc3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3052068
37466,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(Cc3ccc(OC4CCCCS4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25793213
37467,COC1CCN(CCN2CCN(c3ccccc3-c3cc4ccccc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7615095
37468,COC1CCN(CCN2CCN(c3ccccc3-c3csc(-c4ccc(Br)cc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76925236
37469,COC1CCN(CCN2CCN(c3ccccc3Oc3cccc4nc(O)oc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76238894
37470,COCCCN1CCN(Cc2cccc(C(=O)N3C(=O)CCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5473624
37471,COc1cc2c(cc1O)C1Cc3cccc(C(=O)OCc4ccc(N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5870848
37472,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3cccc4cccc(OC)c34)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.728165
37473,COc1cc2c(cc1OC)C1Cc3cccc(Oc4ccccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68586004
37474,COc1ccc(COCc2cc3c(cc2OC)CCN2Cc4c(cccc4OC)CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67116934
37475,COc1ccc(COc2cc3c(cc2OC)CCN2Cc4c(cccc4C(F)(F)F)CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67956823
37476,COc1ccc(OCCN2CCCC(Cc3ccc4c(c3)NC(=O)CC4)C2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.45572776
37477,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(c2ccc(CC(C)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.12847367
37478,COc1ccc(OCCNCC2CCc3cc(OC)c(OC)cc3C2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.3775218
37479,COc1ccc(OCCNCc2cccc(NC(C)=O)c2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.04648371
37480,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Oc2ccccc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2618484
37481,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(CCc2ccc3c(c2)CC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2843086
37482,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC1CCc1ccc2c(c1)CC(=O)NC(=O)C2,[*]CCOc1ccc(O[*])c([*])c1,0.37338427
37483,COc1ccc(OCCSC)cc1N1CCC(Oc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.37882704
37484,COc1ccc(OCCc2cccc3nc(C(C)=O)ccc23)cc1N1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3491252
37485,COc1ccc2cc(CC3CCCN(CCOc4ccc(ON=S(C)(=O)O)c(C)c4)C3)ccc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.3063531
37486,CS(=O)(O)=NCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61400944
37487,CS(N)(=O)=NOc1ccc(OCCF)cc1C(=O)C1CCCCN1,[*]CCOc1ccc(O[*])c([*])c1,0.07093985
37488,CSc1cccc(CN2CCN(CCCN3c4ccccc4CS3(=O)=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.75257546
37489,Cc1cc(OCCCCSc2ccccc2)ccc1ON=S(C)(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.053331282
37490,Cc1cc(OCCCS(=O)(=O)Cc2ccc(Cl)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08538066
37491,Cc1cc(OCCF)ccc1ONCC1CCN(S(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.16087164
37492,Cc1cc(OCCN2CCN(c3cccc(Cl)c3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.7570733
37493,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(c2ccc(OCCF)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.16569334
37494,Cc1cc(OCCNCc2cccs2)ccc1ON=C[SH](C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.10215023
37495,Cc1cc(OCCOC(=O)C2CCCCC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.040107917
37496,Cc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3cc4ccccc4s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6612921
37497,FCCCN1CCN(Cc2cccc(-c3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.78645074
37498,NCCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7383533
37499,O=C(Cc1ccccc1)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5184674
37500,O=C1c2ccccc2CN1c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62640613
37501,OC1CCN(CCN2CCN(c3ccccc3Oc3ccc(C(F)(F)F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8198209
37502,OC1CCN(CCN2CCN(c3ccccc3Oc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.858959
37503,C#Cc1cc2c(cc1Oc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67129
37504,CC1CCN(CCN2CCN(c3ccccc3C(=O)NCc3ccc(C#N)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.63585883
37505,CC1CCN(CCN2CCN(c3ccccc3S(=O)(=O)c3cccc(Cl)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6448452
37506,CCCOc1ccc(OC)c(CN2CCC(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.67667365
37507,CCCOc1ccc(OCCNC(=O)c2ccc(F)cc2)c(NC=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05659572
37508,CCCOc1ccc(OCCNc2ccccn2)c(C(=O)OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.072009005
37509,CCCn1ccc(C(=O)NCCCOc2ccc(OC)c(OC)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.061146546
37510,CCOCCCOc1ccc(OOC)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.79229474
37511,CCOCCOc1ccc(OOC)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.83361435
37512,CCOc1ccc(C2CCN(Oc3ccc(OCCNS(C)(=O)=O)cc3C)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.19487509
37513,CCOc1ccccc1CN1CCN(Cc2cc(OCCOC)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.49995834
37514,CCOc1ccccc1N1CCN(CCCOc2ccc(OC)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8848411
37515,CN(C)c1ccc(-c2cc3c(cc2O)C2Cc4cccc(Br)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76914567
37516,COC1CCN(CCN2CCN(c3ccccc3-c3cc(-c4ccccc4)cnn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78390986
37517,COC1CCN(CCN2CCN(c3ccccc3-c3cccc4cccnc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8158208
37518,COCCCN1CCN(Cc2cccc(Cc3cc4ccccc4cc3O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5966939
37519,COc1cc(C(=O)NCCN2CCN(O[O-])CC2)ccc1-c1cccc([N+](=O)[O-])c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.20204721
37520,COc1cc2c(cc1O)CCN1Cc3c(CCc4cccs4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7840988
37521,COc1cc2c(cc1OC)C1Cc3cccc(-c4cccc(OS(C)(=O)=O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5808626
37522,COc1ccc(OCCC(C)=O)cc1NCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.028034642
37523,COc1ccc(OCCC(F)CCc2ccccc2)cc1CN1CCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7118548
37524,COc1ccc(OCCF)cc1CS(=O)(=O)c1ccc(OC(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.04070249
37525,COc1ccc(OCCN2CCCC(C(=O)c3ccc(F)cc3)CC2)cc1SC(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.50125587
37526,COc1ccc(OCCNC(C)=O)cc1N1CCCC(Cc2ccc(OC3CCN(S(C)(=O)=O)CC3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.100634724
37527,COc1ccc(OCCS(C)(=O)=O)cc1-c1cc(C2CCC(O)CC2)no1,[*]CCOc1ccc(O[*])c([*])c1,0.11963938
37528,COc1ccc2ccc(Oc3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)cc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7560072
37529,COc1cccc(CN2CCN(CCCC3CCCc4ccc(OC)cc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70112693
37530,COc1cccc(CN2CCN(CCCCC(=O)N=CC3Nc4cc(F)ccc4C(=O)N3c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5625977
37531,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC(=O)C4)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.62461084
37532,Cc1cc(OCCN=S(C)(=O)O)ccc1Oc1ccc(CC2CCCN2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.15673384
37533,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)NC(=O)C3)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.045684222
37534,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(c2ccc(CCCF)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.26206836
37535,Cc1cc(OCCS(=O)(=O)Nc2cc(C(C)C)ccc2F)ccc1ON1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24144231
37536,FCCCN1CCN(Cc2cccc(-c3cccc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6467131
37537,Fc1ccc(OC2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7913941
37538,N#Cc1cccc(-c2cccc3c2CN2CCc4cc(CO)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5803916
37539,O=C(NCCN1CCN(Cl)CC1)c1ccc(F)c(-c2nccs2)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33600575
37540,O=C(Nc1cccc(CN2CCN(CCCF)CC2)c1)C1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.35209662
37541,O=[N+]([O-])c1ccc(Oc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70106995
37542,O=c1cc2ccccc2c(-c2cccc(CN3CCN(CCCF)CC3)c2)o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64082783
37543,Oc1cc(F)cc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7147555
37544,Oc1cc2c(cc1C1CCCN1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7520437
37545,Oc1cc2c(cc1Oc1ccc(C(F)(F)F)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8264101
37546,Oc1cc2ccccc2n1CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7159531
37547,CC(C)(C)Oc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7754555
37548,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3ccc(F)c(F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8471793
37549,CC1CCN(CCN2CCN(c3ccccc3-c3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8025539
37550,CCCCN1CCN(Cc2cccc(CNC(=O)C=Cc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5464101
37551,CCCON=Cc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6083092
37552,CCCOc1ccc(OCN2CCN(c3ccccc3OC)CC2)c(OCCF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8443647
37553,CCCOc1ccc(OF)c(CN2CC=C(C(=O)OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22684172
37554,CCCOc1ccc(OF)c(Cc2ccc(OC)c(OC)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07328785
37555,CCCOc1ccc(ON2CCN(c3ccccc3OC(C)C)CC2)c(SC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40773523
37556,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCN(C(C=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22243278
37557,CCCOc1ccc(OOC)c(N2CCN(C(=O)c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08833623
37558,CCCOc1ccc(OOC)c(NCC2CCc3ccccc3O2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3848242
37559,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3ccc(OC4CCCS4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27320597
37560,CCCOc1ccc(OS(N)(=O)=O)c(CN2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.45084718
37561,CCNC(=O)Oc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49320477
37562,CNC(=O)CCOc1ccc(OC)c(CN2CCC(c3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3597691
37563,COC1CCN(CCN2CCN(c3ccccc3COc3ccc4ccc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.696581
37564,COc1cc2c(cc1C(=O)OCc1ccccc1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3414171
37565,COc1cc2c(cc1CCC(=O)O)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49936038
37566,COc1cc2c(cc1O)C1Cc3cccc(-c4cccc(CNC(C)=O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47152203
37567,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(CN(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7235891
37568,COc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8517348
37569,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccno3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6855976
37570,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)OCc4ccc(C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4650498
37571,COc1ccc(Cc2cccc3c2CN2CCc4cc(C)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6477163
37572,COc1ccc(OCCCNCc2ccccc2)cc1CS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.19172233
37573,COc1ccc(OCCCS(=O)(=O)c2cccc(C(C)C)c2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.11328173
37574,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCC(Cc2cccc3cc(F)ccc23)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2047095
37575,COc1ccc(OCCNCCc2ccc3c(c2)NC(=O)CC3)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.20298815
37576,COc1ccc(OCCS(C)(=O)=O)cc1CNCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.08621384
37577,COc1ccc2ccc(OC3CCN(CCOc4ccc(OSC)c(C)c4)CC3)cc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.53273284
37578,COc1cccc(CCCN2CCN(Cc3cccc(O)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63883424
37579,COc1cccc(CN2CCN(CCCN3CC(O)c4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6630563
37580,COc1cccc(CN2CCN(CCCc3cc(=O)cco3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5686475
37581,COc1ccccc1NCc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.41445044
37582,CSOc1ccc(OCCN2CCC(Cc3ccc(SC)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5562144
37583,Cc1cc(OCCCN2CCC(c3ccc(Cl)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.7421774
37584,Cc1cc(OCCCN2CCC(c3ccccc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.74473554
37585,Cc1cc(OCCCN2CCN(C)CC2)ccc1ONc1cccc(C(F)(F)F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.42064103
37586,Cc1cc(OCCN2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6324667
37587,Cc1cc(OCCN2CCCC(Oc3ccc(CC4CCCC4)cc3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3380694
37588,Cc1cc(OCCNC(=O)COc2ccc3c(c2)NC(=O)CC3)ccc1OS(=N)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.049451515
37589,Cc1cc2c(cc1C(=O)Nc1ccccc1Cl)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.25977838
37590,Cc1ccc(CCNOc2ccc(OCCOS(C)(=O)=O)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.05259346
37591,Cc1cccc(CN2CCN(CCCN3C(=O)Cc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7519146
37592,FC1CCN(CCN2CCN(c3ccccc3-c3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7415691
37593,N#Cc1ccc(-c2cccc3c2CN2CCc4cc(Cl)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61307085
37594,O=C(c1ccc(O)cc1)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73395145
37595,O=C1c2ccccc2C(=O)N1Cc1cccc(CN2CCN(CCCOC3CCCCC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5881622
37596,O=Cc1coc(CCCN2CCN(Cc3cccc(F)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6054374
37597,OCCNc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6383052
37598,C#Cc1cccc(-c2cc(C(=O)NCCN3CCN(OC)CC3)ccc2C)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.24489973
37599,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3cccnc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.719718
37600,CC=S(=O)(O)c1cc(OCCN2CCC(c3ccccc3)CC2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.5078707
37601,CCCOc1ccc(OC(C)=O)c(NCCC2CCc3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22506307
37602,CCCOc1ccc(OCN2CCCN(c3ccc(Cl)cc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6029379
37603,CCCOc1ccc(ONC(=O)COc2ccccc2)c(CNOC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.016102266
37604,CCCOc1ccc(OS(C)(=O)=O)c(CN2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.443257
37605,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)COc2ccc(CC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0075586047
37606,CCCOc1ccc(OS(C)(=O)=O)c(NCCc2cccc3nc(C)ccc23)c1,[*]CCOc1ccc(O[*])c([*])c1,0.041517533
37607,CCCc1cccc2c1CN1CCc3cc(OC)c(OCc4ccc(OC)cc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7216379
37608,CCOc1cc2c(cc1C)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.677616
37609,CCOc1ccccc1NC(=O)CCOc1ccc(ON)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0034752223
37610,COC1CCN(CCN2CCN(c3ccccc3-c3cccs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78332335
37611,COc1cc2c(cc1C)C1Cc3cccc(Cc4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54892546
37612,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccoc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79660577
37613,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)NCc4ccc(CO)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4716855
37614,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67429113
37615,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(C(C)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4406558
37616,COc1ccc(Cc2ccccc2)cc1Oc1ccc(OCCN=S(C)(=O)O)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.053925227
37617,COc1ccc(OCCF)cc1NC(=O)COc1cccc(SC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.00799399
37618,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCC4)C2)cc1S(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5207635
37619,COc1ccc(OCCN2CCC(c3ccccc3)CC2)cc1C(=O)N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5682283
37620,COc1ccc(OCCN2CCCC(Cc3ccc(F)c(F)c3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.39104754
37621,COc1ccc(OCCNC(=O)c2cccc(C)c2)cc1CN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.12172234
37622,COc1ccc(OCCS(C)(=O)=O)cc1-c1ccc(F)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.056941472
37623,COc1ccc(OCCS(C)(=O)=O)cc1CCc1cc(F)cc2c1CCC(=O)N2,[*]CCOc1ccc(O[*])c([*])c1,0.104688905
37624,COc1ccc(OCCS(C)(=O)=O)cc1NCCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.12111799
37625,COc1ccc(OCCS(N)(=O)=O)cc1NCCc1cc(CC(F)(F)F)cc2c1CCC(=O)C2,[*]CCOc1ccc(O[*])c([*])c1,0.1670394
37626,COc1ccc(OCCSC)cc1N1CCC(Oc2ccc(C(C)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.17403556
37627,COc1cccc(CN2CCN(CCCCc3ccccc3O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6024838
37628,COc1cccc(CN2CCN(CCCN3CCN(c4ccc(Cl)cc4)C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56886935
37629,COc1cccc(CN2CCN(CCCN3CCN(c4ccccc4OC)C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5667594
37630,COc1cccc2c1CN1CCc3cc(NC(C)c4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4633335
37631,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(C)CC2)cc1OS(C)(=O)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33660015
37632,COc1ccccc1NC1CCN(CCN2CCN(c3ccccc3OC(C)C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5562539
37633,CS(=O)(=O)OOc1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1C=O,[*]CCOc1ccc(O[*])c([*])c1,0.5670647
37634,Cc1cc(C2CCN(CCN3CCN(c4ccccc4C(C)C)CC3)CC2)on1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6238405
37635,Cc1cc(OCCF)ccc1OCN1CCN(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.49271494
37636,Cc1cc(OCCN2CCC(COc3ccc4c(c3)NC(=O)CC4)CC2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5847437
37637,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCO4)CC2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4862599
37638,Cc1cc(OCCNS(C)(=O)=O)ccc1OCN1CCC(Oc2ccc(C(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.35913002
37639,Cc1cc(OCCNc2ccccc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06633991
37640,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCC(C(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.16694114
37641,Cc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(N(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6546953
37642,Cc1ccccc1-c1cc2c(cc1O)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5758418
37643,FC(F)(F)c1ccccc1N1CCN(CCN2CCC(Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7801074
37644,O=C(CCCCN1CCN(Cc2cccc(Cl)c2)CC1)c1ccc(Cl)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7252308
37645,O=C(NCCCCCN1CCN(Cc2cccc(O)c2)CC1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7147029
37646,O=S1(=O)CCc2ccccc2N1CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.71138066
37647,Oc1cccc2c1CN1CCc3cc(Br)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7286043
37648,CCCNOc1ccc(OCCC)cc1CN1CCN(Cc2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4910846
37649,CCCOOc1ccc(OCCC)cc1N1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.38514078
37650,CCCOc1ccc(OC=O)c(N2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2965822
37651,CCCOc1ccc(ON2CCCC(COc3ccc(F)cc3)C2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3838604
37652,CCCOc1ccc(ONS(C)(=O)=O)c(NCCCc2cccc3c2NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14347135
37653,CCCOc1ccc(OOC)c(CN2CCN(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.68897796
37654,CCCOc1ccc(OS(=O)(=O)O)c(N2CCCC(CCc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19611089
37655,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(COc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32057643
37656,CCCOc1ccc(OS(C)(=O)=O)c(N2CCN(c3ccc(OCC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2424481
37657,CCOc1ccccc1CNCCOc1ccc(OSC)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20067252
37658,CCc1cc(OC)ccc1Oc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6965405
37659,COC(=O)C1Cc2ccccc2N1CCCCN1CCN(Cc2cccc(OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.655794
37660,COC(=O)NOc1ccc(OCCN2CCCC(O)(c3ccc(CCF)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.24970832
37661,COC1CCN(CCN2CCN(c3ccccc3-n3ccc4ccc(O)cc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6254557
37662,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)C3CCCCC3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7069937
37663,COC1CCN(CCN2CCN(c3ccccc3Cn3cc(-c4ccccc4)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80519146
37664,COCc1cccc2c1CN1CCc3cc(O)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70666707
37665,COc1cc2c(cc1-c1cccc(C#N)c1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62402934
37666,COc1cc2c(cc1O)CCN1Cc3c(cccc3C3=C4C=CC=COCC(=C3)C=CN4)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5269872
37667,COc1cc2c(cc1OC)C1Cc3cccc(CC(=O)NCc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.33705613
37668,COc1cc2c(cc1OC)C1Cc3cccc(COCc4ccc(CF)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7454344
37669,COc1cc2c(cc1OC1CCNCC1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8380491
37670,COc1cc2c(cc1OCc1ccc(N(C)C)cc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7159592
37671,COc1ccc(OCCCN)cc1N1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.37600404
37672,COc1ccc(OCCCOC(C)=O)cc1NS(=O)(=O)c1cc(C(C)C)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.019277163
37673,COc1ccc(OCCN2CCC(F)C2=O)cc1CN1CCC(C(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.52063155
37674,COc1ccc(OCCN2CCCC(Cc3ccc4ccccc4n3)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.46203843
37675,COc1ccc(OCCOC(C)=O)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.03334427
37676,COc1ccc(OCCOS(C)(=O)=O)cc1NS(=O)(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.046786126
37677,COc1ccc(OCCS(C)(=O)=O)cc1NCCc1ccc(C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.044949505
37678,COc1cccc(C2CCN(CCOc3ccc(ON)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.75185823
37679,COc1cccc(CN2CCN(CCCc3ccc4ccccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66049516
37680,COc1cccc2cnc(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)cc12,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70381993
37681,COc1ccccc1N1CCN(CCN2CCC(c3c(F)ccc4ccc(O)nc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7485831
37682,COc1ccccc1N1CCN(CCOc2ccc(O[N+](=O)[O-])c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.73128515
37683,COc1ccccc1N1CCN(Oc2ccc(OCCCc3cccc(F)c3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24354373
37684,Cc1cc(C(=O)NCCN2CCN(c3ccccc3OC(C)C)CC2)ccc1S(C)(=O)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.8464094
37685,Cc1ccccc1N1CCN(CCN2CCC(c3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70528805
37686,FCCCN1CCN(Cc2cccc(-c3ccc4oc(S)nc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7080529
37687,FCCCN1CCN(Cc2cccc(CNc3ccccn3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59770906
37688,O=C(CCCCN1CCN(Cc2cccc(Cl)c2)CC1)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7216487
37689,O=C(NCc1ccccc1)C1CCN(CCN2CCN(c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6475057
37690,O=C(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1cc2ccccn2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.40261853
37691,O=c1oc2ccccc2n1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6849057
37692,Oc1cc(CCc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c2ccccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6947161
37693,Oc1cc2c(cc1O)C1Cc3cccc(C(O)CCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72949576
37694,Oc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75120604
37695,Oc1cccc(CN2CCN(CCCCc3cc(-c4ccccc4)no3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.75130755
37696,Oc1nc2ccccc2nc1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71526164
37697,CC(=O)c1ccc(CN2CCC(OOc3ccc(OCCF)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.44524783
37698,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3cnc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82758766
37699,CC1Cc2ccccc2N1Cc1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7079743
37700,CCCOc1ccc(OC(=O)COc2ccccc2)c(N2CCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.089276746
37701,CCCOc1ccc(OCN2CCN(C(C)=O)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09054014
37702,CN1CCN(CCNC(=O)c2ccc(Cl)c(-c3cccc(C#Cc4ccccc4)c3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3714377
37703,COC(=O)C1CCN(CCN2CCN(c3ccccc3C(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71294254
37704,COC1CCN(CCN2CCN(c3ccccc3-c3cnc(-c4ccc(Cl)cc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.720516
37705,CON1CCN(CCNC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])c(SC)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33420947
37706,COOc1ccc(OCCN2CCN(CCc3ccccc3OC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5996287
37707,CO[N+](=O)c1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5880361
37708,COc1cc2c(cc1C(=O)OCc1ccccc1)C1Cc3cccc(C=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4255071
37709,COc1cc2c(cc1O)C1Cc3cccc(CNc4cccc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55853057
37710,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)NC(C)(C)C)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5068683
37711,COc1ccc(C(=O)NCCN2CCN([N+](=O)[O-])CC2)cc1-c1ccccc1Oc1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2989306
37712,COc1ccc(OCCC(C)Cc2cccs2)cc1N1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.46087542
37713,COc1ccc(OCCC=[SH]O)cc1N1CCCC(CCc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2636747
37714,COc1ccc(OCCCN2C=C(O)CCC2)cc1-c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.3638555
37715,COc1ccc(OCCCS(=O)(=O)c2cc(F)ccc2C(C)=O)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.051136915
37716,COc1ccc(OCCN=S(C)(=O)O)cc1C(=O)COc1ccc(CF)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06611858
37717,COc1ccc(OCCNC(=O)Cc2ccc3c(c2)CCC3)cc1SCCO,[*]CCOc1ccc(O[*])c([*])c1,0.0380293
37718,COc1ccc(OCCNCC(=O)c2ccc(Cl)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.07452947
37719,COc1ccc(OCCNCC2CCc3ccccc3C2)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.29064432
37720,COc1ccc(OCCNS(C)(=O)=O)cc1CN1CCC(Oc2ccc(SC)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3020917
37721,COc1ccc(OCCS(C)(=O)=O)cc1N1CC2CCCCC2C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.1336882
37722,COc1ccc2ccc(-c3cccc4c3CN3CCc5cc(OC)c(O)cc5C3C4)cc2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6764518
37723,COc1ccc2cnc(Cc3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)cc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6471859
37724,COc1cccc(-c2cc(C(=O)NCCN3CCN(O)CC3)ccc2C)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.25353718
37725,COc1cccc(CN2CCN(CCCCc3ccc(C(=O)Nc4ccccc4)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.38335514
37726,COc1cccc(CN2CCN(CCCNS(=O)(=O)c3cccc4ccccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.44590113
37727,COc1cccc(COc2ccccc2-c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5012086
37728,COc1cccc2c1CN1CCc3cc(-c4nccc5ccccc45)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58251363
37729,COc1cccc2c1CN1CCc3cc(O)c(OC(F)(F)F)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7934813
37730,COc1ccccc1N1CCN(CCN2CCC(c3nccc4c3CCc3ccc-4cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77963597
37731,Cc1cc(OCCNC(=O)c2ccc(F)cc2)ccc1ON1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.11855426
37732,Cc1ccccc1N1CCN(CCN2CCC(C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69972503
37733,FCCCN1CCN(Cc2cccc(-c3ccc4[nH]c(S)nc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64832455
37734,O=C(NCCCCN1CCN(Cc2cccc(OC(F)(F)F)c2)CC1)C1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5585239
37735,O=C(O)c1ccn(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7446951
37736,O=C1CCc2ccc(Oc3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)nc2N1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73195094
37737,O=Cc1cccc2c1CN1CCc3cc(Oc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.679326
37738,O=[N+]([O-])c1ccccc1N1CCN(CCN2CCC(n3c(O)cc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5553951
37739,O=c1cc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cco1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6054031
37740,Oc1cc2c(cc1-c1ccccn1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6110246
37741,Oc1cccc2cc(-c3cccc(CN4CCN(CCCOCCF)CC4)c3)ccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65068203
37742,CC(=O)Oc1cccc(CN2CCN(CCCN3CC(=O)Nc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.41214177
37743,CCCCN1CCN(Cc2cccc(CNC(=O)C3CCCCC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.42011067
37744,CCCOc1ccc(OCNS(C)(=O)=O)c(CCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12189273
37745,CCCOc1ccc(ON2CCC(C(=O)c3ccc(F)cc3)CC2)c(N=S(C)(=O)O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22412749
37746,CCCOc1ccc(OOC)c(CCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12952209
37747,CCCOc1ccc(OS(=O)(=O)N(C)S)c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22808646
37748,CCCOc1ccc(Oc2cc(C3CCC(C)CN3C)no2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18593833
37749,CCCc1cccc(-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7441919
37750,CCOc1ccccc1C(=O)NCCOc1ccc(OC)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05152636
37751,COC(=O)c1cccc2c1CN1CCc3cc(OCc4ccc(OC)cc4)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50929636
37752,COC(=O)c1ccccc1N1CCN(CCN2CCC(n3cc(F)cnc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6294243
37753,COCCOc1ccc(OCN2CCN(c3cccc(Cl)c3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4995837
37754,COOc1ccc(OCCc2ccc(F)cc2)cc1CCNCC1CCCc2ccc(OC)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.29753375
37755,COc1cc(C(=O)NCCN2CCN(CO)CC2)ccc1-c1ccccc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.28501925
37756,COc1cc2c(cc1C(=O)OCc1ccccc1)C1Cc3cccc(Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43008393
37757,COc1cc2c(cc1O)C1Cc3cccc(O[N+](=O)C(F)F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7538997
37758,COc1cc2c(cc1O)CCN1Cc3c(C#Cc4ccc([N+](=O)[O-])cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5888035
37759,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc(COC(C)=O)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49317855
37760,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(C(=O)N(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4826485
37761,COc1cc2c(cc1[N+](=O)c1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66065335
37762,COc1ccc(C(=O)NC2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)cc1OC,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8476749
37763,COc1ccc(OCCC(=O)CCc2ccccc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.04109216
37764,COc1ccc(OCCCN2CCC(Oc3ccc4c(c3)NC(=O)CCC4)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6083213
37765,COc1ccc(OCCN2CCN(C)CC2)cc1NS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.23365854
37766,COc1ccc(OCCNS(C)(=O)=O)cc1CN1CCC(C(=O)c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.32470787
37767,COc1ccc(OCCS(C)(=O)=O)cc1NC1CCC(Oc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.17629954
37768,COc1ccc2c(c1)CC(CNc1cc(OCCNS(C)(=O)=O)ccc1OC)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.37450743
37769,COc1ccccc1-c1cc(C(=O)NCCN2CCN(F)CC2)ccc1S(C)(=O)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.36432648
37770,COc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccccc4)[nH]n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8445062
37771,CS(=O)(=O)NOc1ccc(OCCF)cc1CNCC1CCNC(=O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.08373605
37772,CSOc1ccc(OCCN2CCC(NC(=O)c3ccc(SC)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.4061626
37773,CSc1ccc(C(=O)NC2CCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.3820636
37774,Cc1cc(OCCC(=O)COc2ccc3c(c2)NC(=O)CC3)ccc1ON=S(C)(=O)[O-],[*]CCOc1ccc(O[*])c([*])c1,0.09269969
37775,Cc1cc(OCCC=Cc2ccccc2OC2CCNCC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.29096046
37776,Cc1cc(OCCCC2C=C(c3ccccc3)S(=O)(=O)C2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.15540008
37777,Cc1cc(OCCF)ccc1OC1(C)CCN(C(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1338938
37778,Cc1cc(OCCN2CCC(c3ccc(CS(C)(=O)=O)cc3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.65331274
37779,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(c2ccccc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1818386
37780,Cc1cc(OCCNCCc2ccc3c(c2)CCC(=O)N3)ccc1OS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.11783129
37781,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25451362
37782,Cc1cc(OCCc2ccccc2OCCF)ccc1ONC=O,[*]CCOc1ccc(O[*])c([*])c1,0.12264273
37783,NS(=O)(=O)COc1ccc(OCCF)cc1CN1CCC(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4762922
37784,O=CNc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48201385
37785,Oc1cccc2c1CN1CCc3cc(C=NOc4cccc5ccccc45)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6640852
37786,CC(C)Oc1ccccc1N1CCN(CCN2CCC(Cc3ccc4ccc(S(N)(=O)=O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7369152
37787,CC(C)c1ccccc1N1CCN(CCN2CCC(Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7094775
37788,CC1CCN(CCN2CCN(c3ccccc3Cc3cc4ccccn4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70774865
37789,CCCOc1ccc(OCl)c(CCCc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.298187
37790,CCCOc1ccc(ON2CCC(c3ccccc3C)CC2)c(C(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14529172
37791,CCCOc1ccc(ONCCc2ccccc2)c(NC(=O)OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.025407793
37792,CCCOc1ccc(OOS(C)(=O)=O)c(NCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.060913503
37793,CCCOc1ccc(OS(C)(=O)=O)c(-c2cccc(CCC)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.110628985
37794,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)Cc2ccc(CCC)cn2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0071726064
37795,CCCOc1ccc(OS(N)(=O)=O)c(C2CCc3ccc(OCC4CCC4C)cc3NC2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34043187
37796,CCCc1ccc2c(CNc3cc(OCCS(C)(=O)=O)ccc3OC)coc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.057508916
37797,CCCc1cccc(OC2CCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6511371
37798,CCOc1ccccc1N1CCN(CCN2CCC(n3ccc(Br)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8606322
37799,CNC(=O)c1cc(-c2cccc(CN3CCN(CCCOC)CC3)c2)c2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.38094652
37800,COCCOc1ccc(OC)c(CCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8284346
37801,COOc1ccc(OCCC(F)COc2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.09774471
37802,COOc1ccc(OCCN2CCC(NS(=O)(=O)c3cccc(Cl)c3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.64446
37803,COc1cc2c(cc1O)C1Cc3cccc(-c4cccc(F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7217915
37804,COc1cc2c(cc1O)C1Cc3cccc(Oc4ccc(CF)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74497396
37805,COc1cc2c(cc1O)CCN1Cc3c(Cc4cccc([N+](=O)OC)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5787879
37806,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1cccc2ccccc12,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3554642
37807,COc1ccc(C2CCN(CCN3CCN(c4ccccc4SC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7666202
37808,COc1ccc(OCCC=S(C)(=O)O)cc1N1CCC(Oc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22903371
37809,COc1ccc(OCCCC(=O)C=Cc2cccs2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.030868135
37810,COc1ccc(OCCN2CCC(C(=O)OCc3ccc(F)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.4820956
37811,COc1ccc(OCCN2CCC(c3cccc(C(F)(F)F)c3)CC2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.59670854
37812,COc1ccc(OCCN2CCC(c3ccccc3OC3CCC3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.6984737
37813,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCC(CCc2cccc3c2NC(=O)CCC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2673726
37814,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1NC=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.03103045
37815,COc1ccc(OCCNS(C)(=O)=O)cc1NCCc1cccc2c1CCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.15134314
37816,COc1ccc(OCCS(C)(=O)=O)cc1Nc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.07195168
37817,COc1ccc(OCC[SH](C)(=O)O)cc1NCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.05461767
37818,COc1ccc(OCCc2ccc(C(C)=O)cc2)cc1C(=O)Nc1cccc(C(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.014305185
37819,COc1ccc(OCCc2ccccc2OCC(F)(F)F)cc1NC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.041688826
37820,COc1cccc(CN2CCN(CCCN3c4ccccc4CC3C)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.694646
37821,COc1ccccc1N1CCN(CCN2CCC(Oc3ccc4oc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80206615
37822,COc1ccccc1N1CCN(CCN2CCC(c3cc(O)cc4ncccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7354425
37823,COc1ccccc1N1CCN(CCN2CCC(c3noc4cc(F)ccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8919723
37824,CSOc1ccc(OCCN2CCC(Cc3ccc(F)cc3)CC2=O)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.30758762
37825,Cc1cc2c(cc1OC(F)(F)F)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7991771
37826,Cc1ccccc1CC1CCN(CCOc2ccc(OOS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5861675
37827,Cc1ccccc1N1CCN(CCN2CCC(CCNC(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7118949
37828,ClCCCN1CCN(Cc2cccc(NCc3ccco3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.24675874
37829,Fc1cccc(CN2CCN(CCCCOc3ccc4ccccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.634907
37830,Fc1cccc(CN2CCN(CCCCc3ncc(-c4ccccc4)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6501855
37831,Fc1cnc(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8135846
37832,O=C1Cc2ccccc2C(c2cccc(CN3CCN(CCCCl)CC3)c2)O1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58931684
37833,CC(=O)c1ccc(CC2CCCN(Cc3cc(OCCF)ccc3ONS(C)(=O)=O)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.13226081
37834,CCCOc1ccc(OF)c(CN(CC)CC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08886893
37835,CCCOc1ccc(ON2CCN(C(=O)c3ccc(F)cc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07845225
37836,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCN(c3ccc(OCC(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27805984
37837,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(Cc3ccc4c(c3)NC(=O)CC4)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30055746
37838,CCN(CS)Cc1cc(OCCNC(=O)Cc2ccc(F)cc2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.01548019
37839,CCOc1cccc2cc(C(=O)NCOc3ccc(OCCOC)cc3C)oc12,[*]CCOc1ccc(O[*])c([*])c1,0.011782175
37840,CN1CCN(CCNC(=O)c2ccc(O)c(-c3ccccc3[N+](=O)[O-])c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32381898
37841,CN1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(-c3cccc(Cl)c3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2634229
37842,CNCCOc1ccc(OC)c(NC(=O)COc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.008880918
37843,COC(=O)c1cccc2c1CN1CCc3cc(CO)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5175233
37844,COC1CCN(CCN2CCN(c3ccccc3-c3cc(-c4ccccc4)[nH]n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8142195
37845,COC1CCN(CCN2CCN(c3ccccc3-c3ccc4nccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77012825
37846,COCCCN1CCN(Cc2cccc(Cn3ccc(OC)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5376274
37847,COCCOc1ccc(OC)c(N2CCN(c3ccccc3)C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25736347
37848,COc1cc2c(cc1-c1c(OC)cccc1OC)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8489484
37849,COc1cc2c(cc1CC(=O)NCc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.2906408
37850,COc1cc2c(cc1NCCc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60094917
37851,COc1cc2c(cc1OC)C1Cc3cccc([N+](=O)c4ccc(F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66601837
37852,COc1ccc(-c2cc(C(=O)NCCN3CCN(Cl)CC3)ccc2Cl)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3181457
37853,COc1ccc(-c2ccccc2N2CCN(CCN3CCC(C(C)C)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8201255
37854,COc1ccc(COCc2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8270741
37855,COc1ccc(COc2cc3c(cc2OC)C2Cc4cccc(CO)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75596595
37856,COc1ccc(OCCC(=O)O)cc1NCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.031561494
37857,COc1ccc(OCCC(F)COc2ccc3c(c2)NC(=O)CC3)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.2700906
37858,COc1ccc(OCCCN2CCN(Cc3ccccc3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6679324
37859,COc1ccc(OCCCN=O)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.07180985
37860,COc1ccc(OCCCOc2ccc(SC)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.096708015
37861,COc1ccc(OCCF)cc1C(=O)Nc1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.024475904
37862,COc1ccc(OCCN=S(C)(=O)O)cc1CCCCC1CC2=CC=C(OC3CCCCN3)CCCC1=C2,[*]CCOc1ccc(O[*])c([*])c1,0.13648394
37863,COc1ccc(OCCNCC2CCc3ccccc3C2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.30233777
37864,COc1ccc(OCCNS(C)(=O)=O)cc1CCCc1ccc2c(c1)CC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.22497562
37865,COc1cccc(CN2CCN(CCCCNC(=O)C3CCCCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5448111
37866,COc1ccccc1-c1cc(C(=O)NCCN2CCN(C)CC2)ccc1[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31264976
37867,COc1ccccc1CC1CCCN(CCOc2ccc(OS(C)(=O)=O)c(C)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.3946876
37868,COc1ccccc1N1CCN(CCN2CCC(c3cnnc(-c4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.89211583
37869,COc1ccccc1N1CCN(CCN2CCC(c3nc(S)nc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8518382
37870,CSCCCN1CCN(Cc2cccc(-c3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56584865
37871,Cc1cc(OCCN2CCC(Cc3ccc(F)cc3)C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.43308064
37872,Cc1cc(OCCN2CCCC(O)(c3ccc(F)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4085667
37873,Cc1cc(OCCNCc2ccccc2)ccc1OS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.271523
37874,Cc1cccc2c1CN1CCc3cc(O)c(N)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6620312
37875,Cc1ccccc1N1CCN(CCN2CCC(C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74576765
37876,Clc1cccc(CN2CCN(CCCc3cnc(-c4ccccc4)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65043014
37877,FC(F)(F)c1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccccn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78406084
37878,Oc1cc2c(cc1Cl)CCN1Cc3c(Cc4ccccn4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57889986
37879,Oc1cnc(O)n1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7520948
37880,Oc1nc2cc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)ccc2o1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6741025
37881,CC(=O)NOc1ccc(OCCCN2CCN(c3ccc(F)c(F)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.7076717
37882,CCCOc1ccc(OC)c(N2CCN(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3387884
37883,CCCOc1ccc(OC)c(NC(=O)c2ccc(CC3CCCNC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0675883
37884,CCCOc1ccc(OCN2CCN(C(C)=O)CC2)c(Cc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14946194
37885,CCCOc1ccc(OCO)c(N2CCN(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2755208
37886,CCCOc1ccc(OCS(N)(=O)=O)c(N2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37498546
37887,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28937045
37888,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3ccccc3)CC2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24902701
37889,CCCOc1ccc(OS(C)(=O)=O)c(OC2CCCC(NCc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18649271
37890,CCc1ccc(C2CCN(c3cc(OCCS(C)(=O)=O)ccc3OC)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.29833722
37891,CN(C)c1ccc(C(=O)Nc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.3951252
37892,CNC(=O)c1cc(OCCNS(=O)(=O)c2cccc(C(C)C)c2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.033664927
37893,CNCc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5928708
37894,CNOc1ccc(OCCCN2CCN(c3cccc(C(C)C)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6275895
37895,CNc1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45992476
37896,COC1CCN(CCN2CCN(c3ccccc3S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.59510374
37897,COCCCN1CCN(Cc2cccc(-n3c(=O)n(-c4ccccc4)c(=O)c4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.47297728
37898,COOc1ccc(OCCCCOc2ccccn2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.08969646
37899,COc1cc2c(cc1CNCc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5193635
37900,COc1cc2c(cc1O)C1Cc3cccc(C(C)N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7994469
37901,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3ccc4[nH]ccc4c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6879731
37902,COc1cc2c(cc1S(=O)(=O)N(C)C)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72478473
37903,COc1ccc(-c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c(F)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69877946
37904,COc1ccc(COc2cccc3c2CN2CCc4cc(CO)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.694335
37905,COc1ccc(OCCC(N)=O)cc1CCOc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.034434624
37906,COc1ccc(OCCC(N)=O)cc1CCOc1ccccc1N1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.13692226
37907,COc1ccc(OCCN2CCC(NS(=O)(=O)c3cccc(F)c3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.66675264
37908,COc1ccc(OCCN2CCC(Oc3ccc(C(C)C)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.49680305
37909,COc1ccc(OCCN2CCC(Oc3ccc4c(c3)NC(=O)CC4)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6809271
37910,COc1ccc(OCCN2CCC(c3ccccc3OC3CC3)CC2)cc1C(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6727033
37911,COc1ccc(OCCN=S(C)(=O)O)cc1C(=O)CCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.13451539
37912,COc1ccc(OCCN=S(C)(=O)O)cc1NCCC1CCC(O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1195878
37913,COc1ccc2c(c1)C(CCCN1CCN(Cc3cccc(Cl)c3)CC1)OCC2,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6499713
37914,COc1cccc2c1CN1CCc3cc(C(=O)OCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.454081
37915,COc1cccc2c1CN1CCc3cc(C(C)=O)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5234794
37916,COc1ccccc1CCCCN1CCN(Cc2cccc(OC(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58851725
37917,COc1ccccc1N1CCN(CCN2CCC(c3ccc4nc(O)ccc4c3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8270091
37918,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(C2Cc3ccccc3CC2=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23148881
37919,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(Oc2ccc3ccccc3c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.16165344
37920,Cc1cc(OCCNCCc2ccc3c(c2)NC(=O)CC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.16728702
37921,Cc1cc(OCCNS(=O)(=O)c2cccc(C(C)C)c2)ccc1ON1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.18512696
37922,Cc1ccccc1N1CCN(CCN2CCC(N(C)c3cccnc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67040277
37923,ClCCCN1CCN(Cc2cccc(-c3cc4ccccc4[nH]3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67776865
37924,FC(F)(F)OCCCN1CCN(Cc2cccc(-c3cccc(-c4ccccc4)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69049835
37925,FC(F)(F)c1ccccc1N1CCN(CCN2CCC(c3cccc(-c4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8545062
37926,N#Cc1cccc(C(O)c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63231647
37927,NS(=O)(=O)CCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6053941
37928,O=C(Oc1cccc(CN2CCN(CCCCl)CC2)c1)C1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.461382
37929,O=c1c(CCCN2CCN(Cc3cccc(F)c3)CC2)csc2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6029338
37930,CC(=O)C(=O)NCCOc1ccc(ON2CCC(c3ccccc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.108667456
37931,CCCCNCCOc1ccc(ON2CCN(C)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37643325
37932,CCCOc1ccc(OC=O)c(Nc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07427903
37933,CCCOc1ccc(OCCOc2ccc(F)cc2)c(NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.031225815
37934,CCCOc1ccc(OS(C)(=O)=O)c(CN2CCC(c3ccc(CC(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5296718
37935,CCOOc1ccc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.59578055
37936,CCOc1ccccc1C1=CCN(CCOc2ccc(ONS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4134416
37937,CCOc1ccccc1N1CCN(COc2ccc(OCC[N+](=O)[O-])cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4425727
37938,CCc1cccc2c1CN1CCc3cc(OC)c(OCc4cccc(NC(=O)OC)c4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3308169
37939,CNOc1ccc(OCCN2CCC(Nc3ccccc3OC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5713579
37940,CNOc1ccc(OCCSCCCc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.1407105
37941,COC(=O)Oc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4016935
37942,COC(=O)c1ccccc1-c1ccc(C(=O)NCCN2CCN(OC)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3198581
37943,COC1CCN(CCN2CCN(c3ccccc3-n3cc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80817556
37944,COC1CCN(CCN2CCN(c3ccccc3Cc3cc4ccccc4s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70968246
37945,COCCCN1CCN(Cc2cccc(CNCc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.50175625
37946,COCCOc1ccc(OC)c(N2CCC(c3ccccc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3411576
37947,CON1CCN(CCNC(=O)c2ccc(-c3ccccn3)c(C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2982719
37948,CON1CCN(CCNC(=O)c2ccc(O)c([N+](=O)c3ccccc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.37068772
37949,COc1cc2c(cc1COCc1ccccc1)C1Cc3cccc(COCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73752683
37950,COc1cc2c(cc1Cc1cccc(N(C)C)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74978256
37951,COc1cc2c(cc1N)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7999621
37952,COc1cc2ccccc2cc1-c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59094083
37953,COc1ccc(COc2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6680238
37954,COc1ccc(COc2cc3c(cc2OC)C2Cc4cccc(C(C)=O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47773814
37955,COc1ccc(OCCCCOc2ccccc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.11549178
37956,COc1ccc(OCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5940726
37957,COc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1CSCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.03174787
37958,COc1cccc2c1CN1CCc3cc(-c4ccc(C#N)c5ccccc45)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6962627
37959,COc1cccc2c1CN1CCc3cc(OC(C)=O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56446505
37960,COc1ccccc1N1CCN(CCN2CCC(C(=O)N(C)C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8397484
37961,COc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccccc4)ccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8650784
37962,COc1ccccc1N1CCN(CCN2CCC(c3cnc(Br)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8518673
37963,COc1ccccc1S(=O)(=O)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7105115
37964,CSOc1ccc(OCCN2CCC(NS(=O)(=O)c3cccc(F)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6317342
37965,CSOc1ccc(OCCN2CCCC(CCc3ccc4c(c3)NC(=O)CC4)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.46260384
37966,Cc1cc(OCCCN2CCC(NS(=O)(=O)c3cccs3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.71450347
37967,Cc1cc(OCCCl)ccc1OC=CCOc1ccc(Cl)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.13487981
37968,Cc1cc(OCCF)ccc1ONCCc1cccc(CN2CCCS2(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1604762
37969,Cc1cc(OCCN)ccc1OCNC(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.0324399
37970,Cc1cc(OCCN2CCCC(Cc3ccc(OC4CCCCC4)cc3)C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.34836254
37971,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.16803029
37972,Cc1cccc(-c2cccc3c2CN2CCc4cc(OCc5ccccc5)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5391046
37973,Cc1ccccc1N1CCN(CCN2CCC(c3cncn3Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6475177
37974,Clc1cccc(CN2CCN(CCCCc3ccc4ccccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.81343955
37975,Fc1ccc(C2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)nc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7550578
37976,O=C(NC1CCN(CCN2CCN(c3ccccc3F)CC2)CC1)c1ccc(F)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7137308
37977,O=C(c1nc2ccccc2o1)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6507321
37978,Oc1cc2c(cc1C1CCCC1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60561275
37979,CC(=O)c1ccc(SCCCCOc2ccc(ON3CCCC3)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.108471446
37980,CC1Cc2ccccc2N1C(=O)c1cccc(CN2CCN(CCCC(=O)c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7012699
37981,CCCCN1CCN(Cc2cccc(-c3ccccc3O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5597526
37982,CCCOc1ccc(OC(=O)COc2ccccc2)c(CN(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03463343
37983,CCCOc1ccc(OC(=O)NC)c(CN2CCc3ccccc3C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15318744
37984,CCCOc1ccc(OC)c(CS(=O)(=O)Nc2cccs2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.099690095
37985,CCCOc1ccc(OCS(N)(=O)=O)c(NCCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.081615195
37986,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(Oc3ccc(CCC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18391187
37987,CCCOc1ccc(OS(C)(=O)=O)c(C(C)COc2ccc(CC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.036263958
37988,CCCOc1ccc(OS(C)(=O)=O)c(NCc2ccc(OC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.051129535
37989,COC1CCN(CCN2CCN(c3ccccc3-c3cn(-c4ccccc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80943024
37990,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3cnc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6413799
37991,COC1CCN(CCN2CCN(c3ccccc3OCCc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.90343076
37992,COC1CCN(CCN2CCN(c3ccccc3S(=O)(=O)c3cc(F)ccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6862116
37993,COCCCN1CCN(Cc2cccc(-n3cc4ccccc4c3O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58198553
37994,COCCOc1ccc(OC)c(N2CCN(c3ccc(C(C)=O)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16538261
37995,COCCOc1ccc(OC)c(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3417664
37996,COCc1cccc2c1CN1CCc3cc(-c4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72063047
37997,COOc1ccc(OCCNC(=O)COc2ccc(CF)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.017636035
37998,COOc1ccc(OCCNC(=O)c2ccc(C(C)=O)cc2F)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.02000606
37999,COc1cc2c(cc1O)CCN1Cc3c(C=NOc4ccccc4OC)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73060805
38000,COc1cc2c(cc1O)CCN1Cc3c(CNC(C)c4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42280644
38001,COc1cc2c(cc1O)CCN1Cc3c(CNc4ccccc4C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43364498
38002,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cccc([N+](=O)[O-])c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5301527
38003,COc1ccc(C#N)c(-c2cccc3c2CN2CCc4cc(Cl)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67601603
38004,COc1ccc(F)cc1S(=O)(=O)NCCOc1ccc(ON2CCCC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13692226
38005,COc1ccc(OCCC(F)N2CCC(Cc3ccc(F)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.27405357
38006,COc1ccc(OCCC=Cc2ccc(F)c(F)c2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.068310924
38007,COc1ccc(OCCNS(C)(=O)=O)cc1NC(=O)COc1ccc2c(c1)NCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.071306564
38008,COc1ccc(OCCNS(C)(=O)=O)cc1Nc1cccc2c1CCCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.16545598
38009,COc1ccc(OCCOC(C)=O)cc1N1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2065244
38010,COc1cccc(CN2CCN(CCCOc3cccc4nc(O)ccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.547859
38011,COc1cccc(COc2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7046181
38012,COc1cccc2c1CN1CCc3cc([O-])c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6604002
38013,COc1ccccc1-c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53709966
38014,COc1ccccc1CCC1CCN(CCOc2ccc(OOS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.644686
38015,CSOc1ccc(OCCNC(=O)COc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.06374202
38016,CSc1ccc(OC2CCN(Oc3ccc(OCCF)cc3C=O)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.2523713
38017,Cc1cc(OCCC(=O)N=S(C)(=O)O)ccc1ON1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.14469554
38018,Cc1cc(OCCS(C)(=O)=O)ccc1OCCOc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.10077781
38019,Cc1ccc(-c2cc(C(=O)NCCN3CCN(O)CC3)ccc2C)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.14028475
38020,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68007195
38021,ClCCCN1CCN(Cc2cccc(N3c4ccccc4Cc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70676273
38022,Clc1cccc(CN2CCN(CCCc3coc(-c4ccccc4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6479409
38023,Fc1ccc(-c2ccc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)cc2)nc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.768372
38024,O=[N+](c1ccccc1)c1cccc2c1CN1CCc3cc(O)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5857195
38025,OCc1ccc(NCc2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44900858
38026,Oc1ccc2nc(O)cc(-c3ccccc3N3CCN(CCN4CCC(O)CC4)CC3)c2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6567537
38027,Oc1ccccc1N1CCN(CCN2CCC(F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7128955
38028,C=CC1Cc2ccccc2N1C(=O)CCCN1CCN(Cc2cccc(OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.625131
38029,C=Cc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69307774
38030,CC(=O)CCCN1CCN(Cc2cccc(C(=O)N3c4ccccc4CC3C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68839014
38031,CC(=O)c1ccc(OC2CCN(Oc3ccc(OCCNS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.094565675
38032,CCCOOc1ccc(OCCC)cc1CCNC(=O)c1ccccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.025005246
38033,CCCOc1ccc(OC)c(CCOc2cc(F)ccc2C(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04597508
38034,CCCOc1ccc(OCN2CCC(Oc3ccccc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5775995
38035,CCCOc1ccc(ON=S(C)(=O)O)c(CC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.044627335
38036,CCCOc1ccc(ONS(C)(=O)=O)c(NCc2ccccc2OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.089786254
38037,CCCOc1ccc(OS(C)(=O)=O)c(CCCc2ccc3c(c2)NC(=O)C(=O)C3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21465132
38038,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3ccc(C)nc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18928158
38039,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(Cc3ccc(Cl)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2599247
38040,CCCOc1ccc(OSC)c(CNC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.032117616
38041,CCOC(=O)c1cc2c(cc1O)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41640112
38042,CCc1ccccc1OC1CCN(CCOc2ccc(OC)c(SC)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.61605287
38043,COCCOc1ccc(OC)c(N2CCCC(Oc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36464322
38044,COCCOc1ccc(OCN2CCN(c3cc(C)ccc3C)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37476632
38045,COCCOc1ccc(ON2CCC(N(C(C)=O)c3ccc(F)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12593989
38046,COc1cc2c(cc1-c1cccc(F)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7214202
38047,COc1cc2c(cc1NC(=O)Cc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.25993603
38048,COc1cc2c(cc1S(C)(=O)=O)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6832751
38049,COc1ccc(OCCC(=O)COc2ccc(F)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.053158913
38050,COc1ccc(OCCCCNC(=O)c2ccc(C(C)C)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.041209426
38051,COc1ccc(OCCCN=S(C)(=O)O)cc1N1CCC(c2ccon2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.17817084
38052,COc1ccc(OCCN2CCC(C)CC2)cc1S(=O)(=O)Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.57615507
38053,COc1ccc(OCCN2CCN(c3ccccc3C(C)C)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.7962301
38054,COc1ccc(OCCNC(C)=O)cc1CN1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.42319718
38055,COc1ccc2nc(O)n(C3CCN(CCN4CCN(c5ccccc5Cl)CC4)CC3)c2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74051374
38056,COc1cccc(CN2CCN(CCCc3ccc(-c4ccccc4OC)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.616956
38057,COc1cccc(CN2CCN(CCCc3ccc4c(c3)CC(Nc3ccccc3)C4=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.47029534
38058,COc1cccc(NC2CCN(CCN3CCN(c4ccccc4C(C)C)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7864742
38059,COc1ccccc1-c1cc(C(=O)NCCN2CCN([O-])CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3288717
38060,COc1ccccc1N1CCN(CCN2CCC(C(=O)Nc3ccccc3Oc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.49265325
38061,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(-c4cccnc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8657218
38062,COc1ccccc1N1CCN(CCN2CCC(Sc3ccc(C(F)(F)F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8281598
38063,Cc1cc(OCCC(=O)COc2ccccc2)ccc1ON=CN(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.018068377
38064,Cc1cc(OCCCC(=O)c2ccc(F)cc2)ccc1ON1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.19236526
38065,Cc1cc(OCCN2CCC(Cc3ccc4ccccc4c3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.60638535
38066,Cc1cc(OCCN2CCN(c3ccc(Cl)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.63784516
38067,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(CCc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19590755
38068,ClC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccccc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8047432
38069,N#Cc1ccc(CCOc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7376318
38070,Nc1ccc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7440478
38071,O=C(Nc1ccccc1)NC1CCN(CCN2CCN(c3ccccc3OC(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.62222284
38072,O=C1Nc2ccccc2CC1c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6804917
38073,O=C1c2ccccc2CCN1c1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.735144
38074,Oc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccccc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79994696
38075,Oc1ccccc1N1CCN(CCN2CCC(c3cccc(C(F)(F)F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6365655
38076,Oc1nc2cc(Oc3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)ccc2[nH]1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76885396
38077,CC(=O)NOc1ccc(OCCN2CCC(c3ccccc3OCC(F)(F)F)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.53805137
38078,CC1CCN(CCN2CCN(c3ccccc3-c3nnc(-c4ccccc4)o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.765366
38079,CCC(O)c1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8352507
38080,CCCCN1CCN(Cc2cccc(-c3cc(O)nc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49529272
38081,CCCOc1ccc(OCNS(C)(=O)=O)c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19176923
38082,CCCOc1ccc(OCc2ccccc2OCC)c(NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14634651
38083,CCCOc1ccc(OS(C)(=O)=O)c(CS(=O)(=O)C2C(=O)CCc3ccc(CCC4CCCC4)cc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19080973
38084,CCCOc1ccc(OS(C)(=O)=O)c(NCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07350597
38085,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(c3ccc(OC)c(NC(C)=O)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08452225
38086,CCCOc1ccc(OSC)c(NCC2CCc3cc(OC)c(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39758223
38087,CCN(CC)C(=O)C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7639406
38088,CCOc1ccc(-c2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70060253
38089,CCc1ccc(OCCc2cc(OCCS(C)(=O)=O)ccc2OC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06985367
38090,COC(=O)c1cc2c(cc1Oc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4501373
38091,COC1CCN(CCN2CCN(c3ccccc3COc3cc(O)nc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67664605
38092,COCCOc1ccc(OC)c(CN2CCC(c3ccccc3OC3CC3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6465214
38093,COOc1ccc(OCCC(=O)CCc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.1429577
38094,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)Nc3cccc4ccccc34)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.31996047
38095,COc1cc2c(cc1OC(C)=O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48366785
38096,COc1cc2c(cc1OC)C1Cc3cccc(-c4cccc(NC(C)=O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.33169657
38097,COc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.45329934
38098,COc1ccc(OCCC(N)=O)cc1N1CCN(c2ccccc2OC(C)C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3480481
38099,COc1ccc(OCCCN2CCC(c3ccccc3OCC(F)(F)F)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.7026691
38100,COc1ccc(OCCF)cc1NCCS(=O)(=O)c1cccc(Cl)c1,[*]CCOc1ccc(O[*])c([*])c1,0.070874825
38101,COc1ccc(OCCN2CCN(Cc3cccc(S(C)(=O)=O)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.45362166
38102,COc1ccc(OCCN=S(C)(=O)O)cc1NC(=O)Cc1ccc2c(c1)CCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.044048455
38103,COc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1NS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.021061063
38104,COc1ccc2ccc(CC3CCN(Cc4cc(OCCNC(C)=O)ccc4OC)CC3)cc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.2902999
38105,COc1cccc(C(=O)NCc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71635824
38106,COc1cccc(CN2CCN(CCCCCc3ccco3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65191615
38107,COc1cccc(CN2CCN(CCCCNC(=O)c3cc4ccccc4s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60803336
38108,COc1cccc(CN2CCN(CCCCc3coc(-c4ccccc4)n3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62143826
38109,COc1ccccc1N1CCN(CCN2CCC(Oc3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85795563
38110,COc1ccccc1N1CCN(CCN2CCC(c3ccccc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85129046
38111,COc1ccccc1N1CCN(CCN2CCC(c3cnc(N)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8395604
38112,COc1ccccc1NC(=O)c1cccc2c1CN1CCc3cc(OC)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.27137402
38113,COc1ccccc1NC1CCN(CCOc2ccc(OC)c(S(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.55215967
38114,Cc1cc(OCCC=Cc2ccc(OC3CCNCC3)cc2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.2652552
38115,Cc1cc(OCCCCSc2ccc(F)cc2)ccc1ONS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07301896
38116,Cc1cc(OCCCNCc2ccccc2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.21005414
38117,Cc1cc(OCCN2CCCC(Cc3ccc4ccccc4c3)C2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.41480726
38118,Cc1cc(OCCN2CCN(Cc3ccc(Cl)cc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.47535813
38119,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)CCNC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06650936
38120,Cc1cccc(Cl)c1-c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.655114
38121,O=C(NOCc1ccccc1)c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47360623
38122,O=C(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1cc2ccccc2cc1O,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.45275593
38123,Oc1ccccc1N1CCN(CCN2CCC(n3c(O)cc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65295726
38124,CCCOc1ccc(OCCNC(=O)c2c(OC)cccc2N2CCNC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18088566
38125,CCCOc1ccc(ON2CCCN(c3ccc(F)cc3)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30742243
38126,CCCOc1ccc(ONCCc2ccco2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.056617863
38127,CCCOc1ccc(OOC)c(N2CCN(c3cc(F)ccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38321045
38128,CCCOc1ccc(OS(C)(=O)=O)c(CNC2CCC(Oc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17467429
38129,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(CC3=CC=C4C=CC(CCCC3)O4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26658905
38130,CCCOc1ccc(OS(C)(=O)=O)c(OC2CCc3ccc(CCC(=O)O)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2977433
38131,CCCOc1ccc(OSC)c(NCCc2cccs2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11194007
38132,CCOc1ccccc1N1CCN(CCN2CCC(C(=O)Nc3ccc(OC)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5873429
38133,CCOc1ccccc1N1CCN(CCN2CCC(Cc3ccc(OC)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77424145
38134,CCOc1ccccc1N1CCN(CCN2CCC(c3cc(O)nc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7448754
38135,CCOc1ccccc1N1CCN(CCN2CCC(c3ccccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82403004
38136,CCOc1ccccc1N1CCN(CCN2CCC(c3ccnc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7310627
38137,CCc1ccccc1C1(O)CCN(CCCOc2ccc(ON)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.54165876
38138,COC(=O)c1ccc(N2CCN(CCOc3ccc(ON=S(C)(=O)O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.3896194
38139,COC(=O)c1ccccc1-c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46914846
38140,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccc(-c4ccccc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.43843925
38141,COCCCN1CCN(Cc2cccc(-c3ccc4occc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5715867
38142,COCCCN1CCN(Cc2cccc(Oc3ccc4c(c3)NC(=O)CC4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6686313
38143,COc1ccc(C(=O)NCCN2CCN(c3cc(C)ccc3C)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.4834172
38144,COc1ccc(OCCCC(C)c2ccc(Cl)cc2)cc1S(=O)(=O)C1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.14405942
38145,COc1ccc(OCCCCCc2ccc3c(c2)NC(=O)CCC3)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.26577175
38146,COc1ccc(OCCCCNc2nccc3ccccc23)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.05685589
38147,COc1ccc(OCCCS(=O)(=O)Cc2ccccc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.12307545
38148,COc1ccc(OCCN2CCC(Cc3cccc(S(C)(=O)=O)c3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.6929047
38149,COc1ccc(OCCN2CCC(c3ccccc3C=O)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.693104
38150,COc1ccc(OCCN2CCN(c3ccccc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.7922485
38151,COc1ccc(OCCS(C)(=O)=O)cc1NCCC1CCc2cc(OC)c(OC)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.3344364
38152,COc1cccc(CN2CCN(CCCCN3C(=O)OCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66844124
38153,COc1cccc(CN2CCN(CCCc3ccc4ccccc4n3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5624079
38154,COc1cccc(CN2CCN(CCCc3cccc4ccccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64165926
38155,COc1cccc2c1CN1CCc3cc(-c4cc(C)c5ccccc5c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6902989
38156,COc1cccc2c1CN1CCc3cc(CN4CCCCC4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53760415
38157,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(OC)CC2)cc1S(C)(=O)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.36586064
38158,COc1ccccc1CNC(=O)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.667136
38159,COc1ccccc1N1CCN(Cc2cc(OCCF)ccc2OS(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7493163
38160,CSc1ccccc1N1CCN(CCN2CCC(c3cccnn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7589999
38161,Cc1cc(OCCC(=O)COc2ccc3c(c2)N(C)C(=O)CC3)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13798398
38162,Cc1cc(OCCC(=O)COc2ccc3c(c2)NC(=O)CC3)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16449337
38163,Cc1cc(OCCN2CCC(Oc3ccc4c(c3)NC(=O)CC4)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.64331824
38164,Cc1cc(OCCNC(=O)Cc2ccc(F)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.013296755
38165,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCCC(Cc2ccc3c(c2)NC(=O)CC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.28405395
38166,Cc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccccc4)cc(N)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5702129
38167,Cc1ccccc1OCCCCOc1ccc(ON=S(C)(=O)O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.078304276
38168,FC(F)(F)CCCN1CCN(Cc2cccc(Cc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61546403
38169,FC(F)(F)c1cccc(Oc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82079184
38170,Fc1cccc(-c2cccc(C3CCN(CCN4CCN(c5ccccc5C(F)(F)F)CC4)CC3)n2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7251405
38171,O=C(Oc1cc2c(cc1Cl)C1Cc3cccc(Cl)c3CN1CC2)C1CC1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47914043
38172,O=S(=O)(c1ccc2ccccc2n1)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.63511986
38173,Oc1cc2c(cc1Cc1ccccc1Cl)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73401266
38174,C=S(O)c1cc(OCCN2CCC(c3ccc(F)cc3)CC2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.7513836
38175,CC1CCN(CCc2cc(OCCNS(C)(=O)=O)ccc2ONS(C)(=O)=O)CS1,[*]CCOc1ccc(O[*])c([*])c1,0.4537278
38176,CCCCN1CCN(Cc2cccc(CC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5480083
38177,CCCCc1ccccc1-c1cc(OCCc2ccc(F)cc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1294801
38178,CCCOc1ccc(OCNS(C)(=O)=O)c(CCCc2ccc(OC3CCCCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1562743
38179,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCC(c3ccc(OC(C)C)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29862255
38180,CCCOc1ccc(OS(C)(=O)=O)c(CN2CCCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6289986
38181,CCCOc1ccc(OS(C)(=O)=O)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07553162
38182,CCOc1cc2c(cc1O)C1Cc3cccc(C#Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72546065
38183,COC(=O)Nc1cccc(Cc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.2970645
38184,COC1CCN(CCN2CCN(c3ccccc3-c3nc4ccc(F)cc4n3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7488693
38185,COCCCN1CCN(Cc2cccc(S(=O)(=O)c3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.42958808
38186,COCCOc1ccc(OC)c(CC2CCc3ccc(OCCF)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.44694453
38187,COCCOc1ccc(OC)c(CCNC(=O)c2ccccc2N2CCCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09599436
38188,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cc(C#N)ccc3C=O)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67658544
38189,COc1cc2c(cc1OCc1cccnc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66908646
38190,COc1cc2c(cc1Oc1ccc(C)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7044061
38191,COc1ccc(OCCC(=O)CCc2ccccc2)cc1CN1CCC(S(=O)(=O)c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.37879422
38192,COc1ccc(OCCCCSc2cc(F)ccc2OC)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.068070024
38193,COc1ccc(OCCCN2CCC(Cc3ccc(F)cc3)C2=O)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3507855
38194,COc1ccc(OCCF)cc1N1CCN(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8232287
38195,COc1ccc(OCCN2CCC(C(=O)c3ccccc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.5818703
38196,COc1ccc(OCCN2CCC(COc3ccc4c(c3)NC(=O)CC4)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6727477
38197,COc1ccc(OCCN2CCC(Oc3ccc(CC4CCCC4)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.48980096
38198,COc1ccc(OCCN2CCN(Cc3cccs3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.6208201
38199,COc1ccc(OCCN=S(C)(=O)O)cc1CNc1ccccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.03670155
38200,COc1ccc(OCCNC(=O)c2cccs2)cc1NCS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.033705834
38201,COc1ccc(OCCNCCc2cccs2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.15834174
38202,COc1ccc(OCCNCc2ccccc2)cc1SC(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.15710257
38203,COc1ccc(OCCNS(=O)(=O)c2cccc(CC(F)(F)F)c2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.08858649
38204,COc1ccc(OCCNS(C)(=O)=O)cc1NCCc1csc2ccccc12,[*]CCOc1ccc(O[*])c([*])c1,0.078592
38205,COc1ccc(OCCOCc2cccs2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08117346
38206,COc1cccc(-c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)c1OC,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.86815727
38207,COc1cccc(CCc2cc3c(cc2OC)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.783308
38208,COc1cccc(CN2CCN(CCCC(O)c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55230486
38209,COc1cccc(CN2CCN(CCCC3OCCc4c(OC)cccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6074658
38210,COc1cccc(CN2CCN(CCCCNC(=O)C3(C)Cc4ccc(F)cc4NC3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48324624
38211,COc1cccc(CN2CCN(CCCc3cc(-c4ccccc4)co3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6273957
38212,COc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3nccc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83469075
38213,COc1ccccc1NCCCOc1ccc(ON=S(C)(=O)O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06649412
38214,Cc1cc(OCCF)ccc1ON1CCN(CC(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18570001
38215,Cc1cc2c(cc1OC(C)C)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73567516
38216,ClC1CCN(CCN2CCN(c3ccccc3Oc3cccnn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80661
38217,Clc1cccc(CN2CCN(CCCCSCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.721955
38218,Clc1ccccc1N1CCN(CCN2CCC(c3cnccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82654077
38219,FC(F)(F)c1ccccc1N1CCN(CCN2CCC(c3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76912355
38220,O=[N+]([O-])c1ccccc1-c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4164971
38221,O=[N+]([O-])c1ccccc1N1CCN(CCN2CCC(c3cccnn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5625749
38222,Oc1cccc2c1CN1CCc3cc(-c4ccc(CF)cc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7429001
38223,Oc1cccc2c1CN1CCc3cc(-c4nccc5ccccc45)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57851416
38224,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3cccc(-c4ccc(F)cc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7055353
38225,CC(C)Oc1ccccc1N1CCN(CCN2CCC(n3cc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87879765
38226,CCCOc1ccc(OC)c(N2CCN(CCc3ccc(S(C)(=O)=O)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.62724704
38227,CCCOc1ccc(OC=O)c(NC(=O)Cc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07113513
38228,CCCOc1ccc(OCN2CCC(Oc3ccc(CC4CCCCC4)cc3)CC2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32565653
38229,CCCOc1ccc(OF)c(CN2CCCN(c3cccc(C(=O)OC)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3124218
38230,CCCOc1ccc(OOC)c(C2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37502724
38231,CCCOc1ccc(OOC)c(N2CCN(c3ccccc3CC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30530828
38232,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCC(c3cc(C(F)(F)F)ccc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29000524
38233,CCCOc1ccc(OS(C)(=O)=O)c(NCC2CCc3ccc(OCC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39736426
38234,CCc1ccc(OC)cc1-c1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72329277
38235,CN(C(=O)c1cccc(CN2CCN(CCCCl)CC2)c1)C1CCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6168481
38236,COC(=O)Nc1ccc(-c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3812668
38237,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6328
38238,COCCCN1CCN(Cc2cccc(C(=O)N3CCc4ccccc4C3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49112326
38239,COCCCN1CCN(Cc2cccc(C3CCc4ccccc4NC3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60819274
38240,COCCCN1CCN(Cc2cccc([SH]([O-])c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56228095
38241,COCCOc1ccc(OC)c(N2CCOC(Cc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3391547
38242,COc1cc2c(cc1-c1ccc(C#N)cc1CO)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7313639
38243,COc1cc2c(cc1C(=O)NCc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5082629
38244,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc5cccc(CO)c5c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.713634
38245,COc1cc2c(cc1O)CCN1Cc3c(cccc3Oc3cccc(C#N)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7040064
38246,COc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1ccccc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.28179133
38247,COc1ccc(OCCC(=O)Cc2ccccc2)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.70265335
38248,COc1ccc(OCCC(C)C)cc1CCC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.4222608
38249,COc1ccc(OCCF)cc1NS(=O)(=O)c1cc(Cl)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.060116153
38250,COc1ccc(OCCN2CCC(c3ccc(F)c(F)c3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.69275594
38251,COc1ccc(OCCNC(=O)c2ccccc2)cc1CN1CCC(C(=O)O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.35786194
38252,COc1ccc(OCCNCCc2ccc3c(c2)CC(=O)CC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.21202724
38253,COc1ccc(OCCNS(C)(=O)=O)cc1CCCc1ccc2c(c1)SC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.18826684
38254,COc1ccc(OCCS(C)(=O)=O)cc1C(=O)CCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.1582671
38255,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Oc2ccccc2F)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.34963986
38256,COc1ccc(OCCS(C)(=O)=O)cc1SCCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.11547261
38257,COc1cccc(CN2CCN(CCCc3cccc4ccoc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57008976
38258,COc1cccc2c1CN1CCc3cc(NCCO)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5033588
38259,COc1ccccc1N1CCN(CCN2CCC(c3nc(O)nc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77459484
38260,COc1ccccc1NC(=O)C1CCN(CCN2CCN(c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.36552998
38261,CSOc1ccc(OCCN2CCC(c3ccc(SC=O)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.60505533
38262,Cc1cc(OCCN(C)C)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.10410676
38263,Cc1cc(OCCN2CCC(c3cccc(CC(F)(F)F)c3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6283343
38264,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCCC(COc2ccc3c(c2)NC(=O)CC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.23781416
38265,Cc1cccc(CN2CCN(CCCc3ccc4ccccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6054589
38266,Cc1cccc2c1CN1CCc3cc(Cc4cccc(C#N)c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5575084
38267,Cc1ccccc1N1CCN(CCN2CCC(c3cc(O)nc4ccc(O)cc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.60537374
38268,ClC1CCN(CCN2CCN(c3ccccc3C3=Nc4cccccoc(c4)C=C3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6025944
38269,Clc1cccc(CN2CCN(CCCCc3csc4ccccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7721712
38270,FCCCN1CCN(Cc2cccc(Sc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7474418
38271,Oc1ccn(C2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8299267
38272,CC(=O)ON=Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52404094
38273,CCCCN1CCN(Cc2cccc([N+](=O)[O-])c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.40864184
38274,CCCOc1ccc(OC)c(CNCC2CCc3ccccc3C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3052319
38275,CCCOc1ccc(OCC(=O)c2ccc(F)cc2)c(N=S(C)(=O)O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.044267427
38276,CCCOc1ccc(OCN2CCC(c3cccc(OC)c3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6087389
38277,CCCOc1ccc(OOC)c(-c2ccccc2OCCF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12946627
38278,CCCOc1ccc(OOC)c(N2CC3CCC2CC(c2ccccc2)C3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28580713
38279,CCCOc1ccc(OOC)c(N2CCCC(CC(=O)c3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2065805
38280,CCOc1ccc(-c2cc3c(cc2OC)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6800057
38281,CCOc1ccccc1S(=O)(=O)NCCOc1ccc(OSC)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07062956
38282,CCOc1cccn1CCCc1cc(OCCOC)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.17497963
38283,CCc1cc2c(cc1-c1ccc3[nH]ccc3c1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6014978
38284,COC(=O)N(c1ccc2ccccc2c1)C1CCN(CCN2CCN(c3ccccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8467828
38285,COCCCN1CCN(Cc2cccc(-c3cc(=O)[nH]c4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5692947
38286,COCCOc1ccc(OC(=O)COc2ccc3c(c2)NCCC3)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08984145
38287,COCCOc1ccc(ONC2CCc3ccccc3C2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37831426
38288,CONCc1ccc(-c2cc3c(cc2OC)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54811966
38289,COOc1ccc(OCCNC(=O)c2ccc(C(C)C)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.015951887
38290,COOc1ccc(OCCNCCC2Cc3ccccc3CC2=O)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.26088223
38291,COc1cc2c(cc1C(O)c1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63745016
38292,COc1cc2c(cc1C)C1Cc3cccc(-c4c(OC)cccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6472724
38293,COc1cc2c(cc1O)C1Cc3cccc(CNC(=O)OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47604898
38294,COc1cc2c(cc1O)C1Cc3cccc(Cc4cc(O)cc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7597698
38295,COc1cc2c(cc1OC(C)=O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.567075
38296,COc1cc2c(cc1OC)C1Cc3cccc(-c4cnc5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62465745
38297,COc1cc2c(cc1OC)C1Cc3cccc(C#Cc4cccc([N+](=O)[O-])c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5078008
38298,COc1cc2c(cc1Oc1ccccc1)C1Cc3cccc(C=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73011714
38299,COc1ccc(-c2cc(C(=O)NCCN3CCN(OC)CC3)ccc2C)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2786753
38300,COc1ccc(OCCC(C)=O)cc1N1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.23390706
38301,COc1ccc(OCCN2CCC(Cc3cccc(NC(C)=O)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3383476
38302,COc1ccc(OCCS(C)(=O)=O)cc1CN1CCC(Oc2ccc(CC3CCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.34324664
38303,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Cc2ccc(OC3CCCC(=O)C3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28100747
38304,COc1cccc(-c2cc(C(=O)NCCN3CCN(OC)CC3)ccc2[N+](=O)[O-])c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27444962
38305,COc1cccc(CN2CCN(CCCCN3C(=O)c4ccccc4C3C)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6184869
38306,COc1ccccc1-c1cc(C(=O)NCCN2CCN(OS(C)(=O)=O)CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30925217
38307,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(C(C)OC)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31935233
38308,COc1ccccc1N1CCN(CCN2CCC(c3ncc[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79433227
38309,Cc1cc(OCCN2CC=Cc3ccccc3OC(C)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.51010567
38310,Cc1cc(OCCOS(C)(=O)=O)ccc1ONC(=O)COc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.0114665795
38311,Cc1cc(OCCSO)ccc1ON1CCC(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2902037
38312,Cc1ccc(OC2CCN(Oc3ccc(OCCOS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.18040273
38313,Cc1cccc(CN2CCN(CCCNC(=O)c3cccs3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.34377936
38314,Cc1cccc(CN2CCN(CCCc3cccc(NC(=O)C4CCCCC4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.29516926
38315,FC(F)(F)CCCN1CCN(Cc2cccc(-c3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6582782
38316,O=C1c2ccccc2CN1Cc1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7779704
38317,O=c1cccc(CCCCCN2CCN(Cc3cccc(F)c3)CC2)o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6555559
38318,Oc1cc2c(cc1-c1ccccc1)C1Cc3cccc(Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.636401
38319,Oc1cc2c(cc1Cl)CCN1Cc3c(cccc3OC3CCCCC3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64335984
38320,Oc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccccc4)ccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78862625
38321,CC(=O)Nc1cccc(CC2CCN(CCOc3ccc(ON=S(C)(=O)O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32690775
38322,CC(=O)c1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33523628
38323,CC1CCN(CCN2CCN(c3ccccc3-c3cc(-c4ccccn4)ccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7963836
38324,CCCCN1CCN(Cc2cccc(N3c4ccccc4CC3C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6410118
38325,CCCOc1ccc(OCN2CCN(c3ccc(Cl)cc3)CC2)c(CF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.60247225
38326,CCCOc1ccc(OF)c(CN2CCCN(c3cccc(Cl)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.64107835
38327,CCCOc1ccc(OS(C)(=O)=O)c(NC2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21465193
38328,CCON=Cc1cc2c(cc1O)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5784172
38329,CNS(=O)Oc1ccc(OCCC(C)COc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.11743439
38330,CNc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57937527
38331,COC1CCN(CCN2CCN(c3ccccc3COc3ccc4nc(O)ccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65493983
38332,COCCCN1CCN(Cc2cccc(C3CCCc4ccc(OC)cc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68583786
38333,COCCCN1CCN(Cc2cccc(NS(=O)(=O)c3cccs3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.41271606
38334,COOc1ccc(OCCN2CCC(c3ccccc3OC3CC3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6778342
38335,COc1cc2c(cc1CNc1ccc(O)c3ccccc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5823985
38336,COc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1ccc([N+](=O)[O-])cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.15073967
38337,COc1ccc(COC(=O)c2cc3c(cc2OC)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42246908
38338,COc1ccc(COc2cccc3c2CN2CCc4cc(C)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6234619
38339,COc1ccc(OCCCCCc2ccc3c(c2)N(C)CC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.36961338
38340,COc1ccc(OCCN)cc1CCNC(=O)c1ccccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.03581196
38341,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.61687446
38342,COc1ccc(OCCN2CCC(c3cccc(C(F)(F)F)c3)CC2)cc1NC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.42427084
38343,COc1ccc(OCCN2CCN(Cc3cc4ccccc4o3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.7800169
38344,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(Oc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.46595252
38345,COc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.028506178
38346,COc1ccc(OCCNC(C)=O)cc1N1CCN(S(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.14008313
38347,COc1ccc(OCCS(C)(=O)=O)cc1C(F)COc1ccc2c(c1)CC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.19035989
38348,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(CC(=O)c2cc3ccccc3s2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18659122
38349,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Cc2ccccc2)C(=O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.28479782
38350,COc1ccc(OCCS(C)(=O)=O)cc1N1CCc2ccc(CC3CCC3)cc2CC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.39045948
38351,COc1ccc(OCCSC)cc1N1CCCC(C(=O)c2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.21832478
38352,COc1cccc(-c2cccc3c2CN2CCc4cc(Cl)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4974028
38353,COc1cccc(CN2CCN(CCCC(=O)c3cc4ccccc4s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5461794
38354,COc1cccc(CN2CCN(CCCN3CCN(c4ccccc4)C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5906237
38355,COc1cccc2c1CN1CCc3cc(Cc4ccc(O)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72151715
38356,COc1ccccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1C(=O)O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.39813018
38357,COc1ccccc1N1CCN(c2cc(OCCNC(C)=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2523189
38358,Cc1cc(OCCCCCc2ccc3ccccc3c2)ccc1ON1CCNC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.22348101
38359,Cc1cc(OCCN2CCN(c3ccc(OC(C)C)cc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5719869
38360,Cc1cc(OCCNC(=O)c2cccc(F)c2)ccc1ON1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.14228669
38361,Cc1cc2c(cc1-c1ccco1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68756306
38362,ClCCCN1CCN(Cc2cccc(-c3cc(C=Cc4ccccc4)no3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63546765
38363,N#CCc1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6353577
38364,O=C1Nc2ccccc2C1CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67797947
38365,Oc1cc2c(cc1COc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7489287
38366,Oc1cccc2c1CN1CCc3cc(-c4cccc5sccc45)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6120022
38367,C=Cc1ccccc1OC1CCC(NCCOc2ccc(ON)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19959077
38368,CC(C)c1cccc2c1CN1CCc3cc(Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77577066
38369,CC(C)c1ccccc1N1CCN(CCN2CCC(c3ccc(O)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7492892
38370,CCCOc1ccc(OCNc2ccccc2OCC)c(C(N)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.035825707
38371,CCCOc1ccc(OF)c(CN2CCCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7185466
38372,CCCOc1ccc(OF)c(CN2CCN(c3ccccc3NC=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38205284
38373,CCCOc1ccc(OF)c(CNCC2CCC(O)(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21084689
38374,CCCOc1ccc(ON2CCC(C)=NC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30535161
38375,CCCOc1ccc(ON2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.57346624
38376,CCCOc1ccc(OS(C)(=O)=O)c(NCC(=O)Cc2ccc(OC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.02636209
38377,CCCOc1ccc(OS(C)(=O)=O)c(NCC2CCCc3ccccc3C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25966215
38378,CCOc1cc2c(cc1CO)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6578555
38379,COC(=O)c1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45814794
38380,COC1CCN(CCN2CCN(c3ccccc3-c3cccc(-c4cccc(C#N)c4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8322869
38381,COC1CCN(CCN2CCN(c3ccccc3-n3cc(-c4ccccc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78191614
38382,COCCCN1CCN(Cc2cccc(CN=C3COc4ccccc4N3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54055136
38383,COCCCN1CCN(Cc2cccc(N3C=CC(=O)C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53581685
38384,CON1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.22042291
38385,COc1cc2c(cc1-c1ccccc1)CCN1Cc3c(CO)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6704493
38386,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6963187
38387,COc1cc2c(cc1O)C1Cc3cccc(CNCc4nccc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5658458
38388,COc1cc2c(cc1OC)C1Cc3cccc(CC(=O)NCc4ccc(C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3314533
38389,COc1cc2c(cc1OCC(=O)NCCOc1ccc(ONS(C)(=O)=O)c(C)c1)CCC2,[*]CCOc1ccc(O[*])c([*])c1,0.0285058
38390,COc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1ccccc1S(=O)(=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.22841994
38391,COc1ccc(OCCC(N)=O)cc1CCOc1cccc(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.021567281
38392,COc1ccc(OCCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.95031273
38393,COc1ccc(OCCN2CCCC(CCc3ccc(F)cc3)C2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.50779957
38394,COc1ccc(OCCN2CCCCC2)cc1NS(=O)(=O)c1ccc(OC(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.18648413
38395,COc1ccc(OCCNS(C)(=O)=O)cc1NC(=O)Cc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.06913142
38396,COc1ccc(OCCS(C)(=O)=O)cc1CCSc1ccc(CCCF)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07117235
38397,COc1cccc(CN2CCN(CCCN3C(=O)CC4(CCOc5ccccc54)C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.47709897
38398,COc1cccc2c1CN1CCc3cc(-c4ccc5cc[nH]c5c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72978777
38399,COc1cccc2c1CN1CCc3cc(OC(F)(F)F)c(-c4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7586352
38400,COc1ccccc1N1CCN(CCN2CCC(c3cc(O)nc4ncccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76122797
38401,CSOc1ccc(OCCN2CCC(c3ccc(OC4CCC(=O)NC4)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.60966796
38402,Cc1cc(OCCF)ccc1ONC(=O)C1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.050583266
38403,Cc1cc(OCCN2CCC(NS(=O)(=O)c3cc(F)ccc3F)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6478043
38404,Cc1cc(OCCN=O)ccc1ON1CCN(C(c2ccccc2)c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18168621
38405,Cc1cc(OCCNC(=O)c2ccccc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.027731452
38406,Cc1cc(OCCNCCc2ccccc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.20924678
38407,Cc1cc(OCCNS(=O)(=O)c2cc(F)ccc2F)ccc1ON1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.25557134
38408,Cc1cc(OCCNS(C)(=O)=O)ccc1OCN1CCC(C(=O)Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2821737
38409,Cc1cc(OCCS(C)(=O)=O)ccc1OC(C)COc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.10011335
38410,ClC1CCN(CCN2CCN(c3ccccc3COc3ccc(-c4ccccn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6789689
38411,O=C(c1cn2ccccc2n1)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64808226
38412,O=C1CC(c2cccc(CN3CCN(CCCF)CC3)c2)c2ccccc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6403314
38413,O=C1Cc2ccccc2NC1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64387393
38414,CC(=O)N1CCN(CCCOc2ccc(OF)c(C)c2)Cc2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.34220594
38415,CCCCc1ccc(N2CCN(CCOc3ccc(ONC(C)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.55168635
38416,CCCOc1ccc(OOC)c(N2CCCN(c3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28143877
38417,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(CC(=O)c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22130442
38418,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Oc3ccc(CC4CCCCC4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23790215
38419,CCCOc1ccc(OSC)c(N2CCN(c3ccccc3C(C)C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30969584
38420,CCCc1ccc(N2CCN(Cc3cc(OCCF)ccc3OOC)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.7750124
38421,CCOC1CCN(CCN2CCN(c3ccccc3S(=O)(=O)c3cccc(F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70389426
38422,CCOc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2480502
38423,CNOc1ccc(OCCN2CCCC(c3ccccc3OC)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.41928196
38424,COC1CCN(CCN2CCN(c3ccccc3-c3ccc4cc(O)cnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6857697
38425,COCCOc1ccc(OC)c(N2CCC(Nc3ccccc3Cl)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27746192
38426,COCCOc1ccc(OCCc2ccccc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13632299
38427,COOc1ccc(OCCNC(=O)C(C)c2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.030595241
38428,COc1cc2c(cc1C(O)c1ccc3ccccc3c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53001565
38429,COc1cc2c(cc1CNCc1ccc(C#N)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63989246
38430,COc1cc2c(cc1Cc1ccc(CO)c3ccccc13)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67811394
38431,COc1cc2c(cc1Cc1ccccc1)CCN1Cc3c(cccc3ON)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8026524
38432,COc1cc2c(cc1NC(C)=O)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36359107
38433,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(NC5CCCCC5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3734537
38434,COc1cc2c(cc1O)C1Cc3cccc(-n4cccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78568184
38435,COc1cc2c(cc1O)C1Cc3cccc(SCc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5800661
38436,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc5ccc(CO)cc5c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6219488
38437,COc1ccc(OCCCc2cccc(C(=O)N3CCCCC3)c2)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.052735377
38438,COc1ccc(OCCF)cc1NS(=O)(=O)c1cc(C(N)=O)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.03235828
38439,COc1ccc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1Br,[*]CCOc1ccc(O[*])c([*])c1,0.7025449
38440,COc1ccc(OCCN2CCC(Oc3ccc(C(=O)S)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.41023964
38441,COc1ccc(OCCN=S(C)(=O)O)cc1C(C)COc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.1637401
38442,COc1ccc(OCCNC(=O)C=Cc2ccc(F)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.031226922
38443,COc1ccc(OCCNC(=O)CCc2ccccc2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.04196581
38444,COc1ccc(OCCNC=O)cc1CCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.21672228
38445,COc1ccc(OCCNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1C(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.02039087
38446,COc1cccc(CN2CCN(CCCCC(=O)N3Cc4ccccc4C3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5625429
38447,COc1cccc2c1CN1CCc3cc(Oc4cccc(C)c4)c(C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6264525
38448,Cc1cc(C(=O)NCCN2CCN(O)CC2)ccc1-c1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29405725
38449,Cc1cc(OCCN2CCC(CCc3ccc4c(c3)CCC(=O)N4)CC2)ccc1O[SH](C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.46858847
38450,Cc1cc(OCCN2CCC(NS(=O)(=O)c3cccc(Cl)c3)CC2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6940125
38451,Cc1cc(OCCNCc2ccccc2)ccc1ON=S(C)(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.23215872
38452,Cc1cc(OCCS(C)(=O)=O)ccc1ONC(=O)Cc1ccc(C2CCCN(C)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.117345504
38453,Cc1ccc(CC2CCN(Cc3cc(OCCF)ccc3ON=S(C)(N)=O)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.32743794
38454,Cc1ccccc1N1CCN(CCN2CCC(Oc3ccc4c(n3)NC(=O)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72276586
38455,FCCCN1CCN(Cc2cccc(-c3cc4ccc3CCc3ccccc3CC4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7102092
38456,O=S(=O)(NCc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2)c1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40360764
38457,O=S1(=O)Nc2ccccc2Cc2cccc(-c3cccc(CN4CCN(CCCCl)CC4)c3)c21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67804575
38458,O=c1ccc2ccccc2n1-c1cccc(CN2CCN(CCCOC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65711427
38459,OCC(O)N=Cc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.552805
38460,Oc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(OCc5ccccc5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6493065
38461,C#Cc1cc2c(cc1O)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62759155
38462,C#Cc1cccc(-c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6678199
38463,CC(C)(C)OC(=O)NCCC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7553357
38464,CC1(C(=O)NCCCCN2CCN(Cc3cccc(Cl)c3)CC2)CCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49123293
38465,CCCC(=O)c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6234402
38466,CCCCc1ccc(NCCOc2ccc(ON=S(C)(=O)O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.044595525
38467,CCCOc1ccc(OCN2CCC(C(=O)O)=Cc3ccccc32)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07968935
38468,CCCOc1ccc(ON=S(C)(=O)O)c(N(C)CCc2ccco2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.063697286
38469,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3ccc4c(c3)NC(=O)C(C)C4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36309406
38470,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)CCc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06582993
38471,CCCOc1ccc(OS(C)(=O)=O)c(NCCC2=CC(=O)NC3=C(C=C2)CCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15077475
38472,CCOC(=O)Nc1cc2c(cc1O)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3151839
38473,CCOCc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6536744
38474,CCOc1ccccc1N1CCN(CCN2CCC(Nc3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81991637
38475,CCOc1ccccc1N1CCN(CCN2CCC(n3cccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8268314
38476,CNCCOc1ccc(OC)c(NS(=O)(=O)c2ccc(C(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05859868
38477,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccc(O)cc4)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7837981
38478,COC1CCN(CCN2CCN(c3ccccc3-c3ccc4nc(O)oc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7224744
38479,COC1CCN(CCN2CCN(c3ccccc3-c3ccnc(-c4ccc(F)cc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79422253
38480,COCCCN1CCN(Cc2cccc(CNS(=O)(=O)c3cccc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.42102295
38481,COCCCN1CCN(Cc2cccc(Cc3csc(=O)c(-c4ccccc4)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5929816
38482,COCCOc1ccc(OC)c(CN2CCN(Cc3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5518117
38483,COCCOc1ccc(OC)c(COc2ccccc2C(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13033047
38484,COCCOc1ccc(OC)c(N2CCCN(c3cccc(C(F)(F)F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35074872
38485,COCCOc1ccc(OCCCn2ccccc2=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17404
38486,COOc1ccc(OCCCN2CCC(Cc3ccccc3OC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6436927
38487,COOc1ccc(OCCCOCCc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.29137072
38488,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3ccc(OC)c4ccccc34)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75641924
38489,COc1cc2c(cc1OCc1ccc(CO)c3ccccc13)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6683742
38490,COc1ccc(C(=O)NCCN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.49190268
38491,COc1ccc(OCCCCNC(=O)c2ccc(F)cc2)cc1NC(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.033691686
38492,COc1ccc(OCCCS(N)(=O)=O)cc1CNCCC1CCCc2cc(C(C)C)ccc2O1,[*]CCOc1ccc(O[*])c([*])c1,0.23542348
38493,COc1ccc(OCCNC(C)=O)cc1CNC(=O)Cc1ccc2c(c1)C(=O)C(S(C)(=O)=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.15703672
38494,COc1ccc(OCCNC2CCc3ccc(C(C)C)cc3C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5006827
38495,COc1ccc(OCCNCc2ccco2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.11760545
38496,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(Oc2ccc(C)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19967307
38497,COc1ccc(OCCSCc2ccc(F)cc2)cc1S(=O)(=O)N(C)C=O,[*]CCOc1ccc(O[*])c([*])c1,0.06707569
38498,CSC1CCN(CCN2CCN(c3ccccc3-c3ccc(O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73049617
38499,Cc1cc(OCCCN2CCC(Oc3ccccc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6074102
38500,Cc1cc(OCCN2CCC(CCc3ccccc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.64412326
38501,Cc1cc(OCCNC(=O)Cc2ccc(F)cc2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.012511884
38502,Cc1cc(OCCNCCc2ccccc2F)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.15590546
38503,Cc1cccc(CN2CCN(CCCC3Cc4ccccc4C3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68790305
38504,Cc1cccc2c1CN1CCc3cc(-c4cc5cccnc5[nH]4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50027734
38505,Clc1cccc(CN2CCN(CCCCSc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7124844
38506,N#Cc1cc2c(cc1O)C1Cc3cccc(-c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62004095
38507,O=C(Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)c1cccs1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35749063
38508,O=c1c(-c2cccc(CN3CCN(CCCCl)CC3)c2)cccc2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6225578
38509,C=Nc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7227336
38510,CC(C)CCCN1CCN(Cc2cccc(N3C(=O)c4ccccc4C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5703366
38511,CCCOc1ccc(OC)c(N(C)CCc2cccc(S(C)(=O)=O)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18879767
38512,CCCOc1ccc(OC=O)c(CCCc2ccc3c(c2)CCC(=O)N3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18591775
38513,CCCOc1ccc(OF)c(N2CCC(Cc3ccc(OC4CCC(=O)NC4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24883538
38514,CCCOc1ccc(OS(C)(=O)=O)c(-c2cc(F)ccc2OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07189308
38515,CCCOc1ccc(OS(C)(=O)=O)c(CCC2CCc3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38454434
38516,CCNC(=O)Nc1cccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.26788276
38517,CCOc1cc2c(cc1OC)CCN1Cc3c(cccc3OCc3ccc(OC)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6796221
38518,CCOc1cccc(Oc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72146434
38519,CCOc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cc4ccccn4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7833063
38520,CCOc1ccccc1N1CCN(c2cc(OCCN=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24616158
38521,CNC(=O)c1cc(OCCNC(=O)c2ccc(F)cc2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.03707861
38522,CNOc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCC4)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.60371053
38523,COCCOc1ccc(OC)c(N2CCC(CC(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2577979
38524,COON1CCN(CCNC(=O)c2ccc(-c3ccccc3OC)c(OC)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33299926
38525,COc1cc(C(=O)NCCN2CCN(C)CC2)ccc1-c1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2926771
38526,COc1cc2c(cc1O)CCN1Cc3c(C=CNOCc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6321555
38527,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)Nc3ccc(C)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32370725
38528,COc1cc2c(cc1OC)C1Cc3cccc(COc4ccc5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76571
38529,COc1ccc(C(=O)NCCN2CCN(OC(C)C)CC2)cc1-c1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35525814
38530,COc1ccc(C(=O)NCCN2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.6371612
38531,COc1ccc(OCCC(C)=O)cc1N1CCC(Nc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2379308
38532,COc1ccc(OCCCN2CCC(c3ccc(F)cc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6527668
38533,COc1ccc(OCCN2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.5904923
38534,COc1ccc(OCCN=S(C)(=O)O)cc1Nc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.048287753
38535,COc1ccc(OCCNC(=O)Cc2ccc3c(c2)C(=O)CCC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06887352
38536,COc1ccc(OCCNCc2cccs2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.15491919
38537,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(C(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22673969
38538,COc1ccc(OCCSC)cc1C(=O)COc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.0738627
38539,COc1ccc2c(c1)CC(CNCCOc1ccc(ON=S(C)(=O)O)c(C)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.24739933
38540,COc1cccc(CNc2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3818391
38541,COc1cccc(OCC2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8970433
38542,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(Cl)CC2)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2884375
38543,COc1ccccc1N1CCN(CCN2CCC(n3cc(Cc4ccccc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8616148
38544,CSc1ccccc1N1CCN(CCN2CCC(C(=O)NCc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71652454
38545,Cc1cc(OCCC=Cc2ccccc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08860719
38546,Cc1cc(OCCCN2CCCN(c3ccc(Cl)cc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.6570919
38547,Cc1cc(OCCF)ccc1OCN1CCC(O)(c2ccc(Cl)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.47903
38548,Cc1cc(OCCNS(=O)(=O)c2ccc3cc(C(N)=O)ccc3c2)ccc1ON1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.08632047
38549,Cc1ccccc1N1CCN(CCN2CCC(Nc3ccncc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65844035
38550,ClCCCN1CCN(Cc2cccc(CNc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48477197
38551,Clc1ccc(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85674155
38552,N#Cc1cccc(Cc2cccc3c2CN2CCc4cc(O)c(Br)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5732213
38553,O=C(NC1CCN(CCN2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1)c1ccnc2ccccc12,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5794249
38554,O=C(NCc1cccc(CN2CCN(CCCO)CC2)c1)c1cc2ccccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.550762
38555,O=C1COc2cc(-c3cccc(CN4CCN(CCCC(F)(F)F)CC4)c3)ccc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58889455
38556,CC(=O)Oc1cccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44164753
38557,CC(=O)c1ccc(CC2CCCN(CCOc3ccc(ON=S(C)(=O)O)c(C)c3)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.2805555
38558,CC(C)(C)CCCN1CCN(Cc2cccc(N3C(=O)C(=O)c4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54938143
38559,CCCCc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7552966
38560,CCCOc1ccc(OC)c(CN2CCOCC2Cc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30035847
38561,CCCOc1ccc(OF)c(OCCOc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23696397
38562,CCCOc1ccc(ON2CCN(C=O)CC2)c(Cn2cccc2OCCF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23428254
38563,CCCOc1ccc(ONC(=O)c2ccccc2OC)c(N2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18118323
38564,CCOc1ccccc1N1CCN(CCN2CCC(C3=Nc4ccc(cc4)C=C3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6914552
38565,CNN1CCN(CCNC(=O)c2ccc(C)c(-c3ccccc3OC)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29876006
38566,CNc1ccccc1C(=O)CCCN1CCN(Cc2cccc(OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.37199593
38567,COC1CCN(CCN2CCN(c3ccccc3-c3cccc4c3c(O)nc3ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64901686
38568,COCCCN1CCN(Cc2cccc(C3=CC(c4ccccc4)=CC=CO3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57038224
38569,COCCCN1CCN(Cc2cccc(CNc3cccs3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.50001204
38570,COOc1ccc(OCCN2CCC(S(=O)(=O)c3cccc(F)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6478571
38571,COOc1ccc(OCCNC(=O)CCc2ccc3c(c2)OC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.07408616
38572,COc1cc2c(cc1CN(C)C(C)=O)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5010433
38573,COc1cc2c(cc1O)CCN1Cc3c(cccc3OC(=O)Nc3cccc4ccccc34)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34686315
38574,COc1cc2c(cc1OC(C)C)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6384336
38575,COc1ccc(OCCC=O)cc1NC(=O)COc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.013076543
38576,COc1ccc(OCCCC(=O)c2ccc(F)cc2)cc1CN1CCC(SCc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.46119696
38577,COc1ccc(OCCN2CCC(Oc3ccc(F)cc3)CC2)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.53458685
38578,COc1ccc(OCCN2CCC(Oc3ccccc3C)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.6459343
38579,COc1ccc(OCCNCCCc2cccs2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.28152224
38580,COc1ccc(OCCSC)cc1NCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.13083893
38581,COc1cccc(CN2CCN(CCCCc3cccc4ccccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67900366
38582,COc1cccc(CN2CCN(CCCc3cc(-c4cccs4)no3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6306108
38583,COc1cccc2c1CN1CCc3cc(-c4ccc5ccccc5c4OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6830248
38584,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(O)CC2)cc1N,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32079744
38585,CSOc1ccc(OCCN2CCC(Cc3ccc4ccc(F)cc4n3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.56814647
38586,CSc1ccc(OC2CCN(COc3ccc(OCCNCS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.24215043
38587,Cc1cc(OCCN2CCC(Cc3ccc(F)cc3)CC2)ccc1OS,[*]CCOc1ccc(O[*])c([*])c1,0.61022526
38588,Cc1cc(OCCN2CCC(Cc3ccc(OC4CCC(=O)N4)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5249496
38589,Cc1cc(OCCN2CCC(c3ccc(OCCF)cc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.55656654
38590,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(Cc2ccc3c(c2)NCC(=O)C3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29776895
38591,Cc1cc(OCCS(N)(=O)=O)ccc1ON1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2472853
38592,Cc1cc(OCCc2cccs2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.066045664
38593,Cc1cc2c(cc1O)C1Cc3cccc(-c4ccccc4C#N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58091104
38594,Cc1cn(-c2ccccc2N2CCN(CCN3CCC(C)CC3)CC2)nn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6935953
38595,Fc1ccc(Sc2cccc(CN3CCN(CCCCl)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7461067
38596,O=C(Cc1ccc(F)cc1)Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.38604772
38597,O=C(Nc1cccc(CN2CCN(CCCCl)CC2)c1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.39641866
38598,O=C(Nc1cccc(CN2CCN(CCCCl)CC2)c1)c1cccs1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.30872178
38599,O=C1CCc2ccc(OC3CCN(CCN4CCN(c5ccccc5O)CC4)CC3)cc2N1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71937096
38600,O=S1(=O)OC(c2cccc(CN3CCN(CCCCl)CC3)c2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61248577
38601,OC1(CCCN2CCN(Cc3cccc(F)c3)CC2)CCCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6841257
38602,Oc1ccc(Oc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8103659
38603,C=CC(=O)Oc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5506506
38604,CC1(C)CCN(c2cccc(CN3CCN(CCCCl)CC3)c2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6412738
38605,CC1CCN(CCN2CCN(c3ccccc3-c3cncc(-c4cccs4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7093127
38606,CC1CCN(CCN2CCN(c3ccccc3OC(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8452436
38607,CCC=S(=O)(O)Nc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48832753
38608,CCCOc1ccc(OC)c(CNCC(=O)N2CCN(C(C)=O)CC2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10697944
38609,CCCOc1ccc(OCOc2ccccc2C(C)C)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10283167
38610,CCCOc1ccc(ON=S(C)(=O)O)c(NC2CCc3ccc(OCC4CCCC4)cc3C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23042788
38611,CCCOc1ccc(OS(=O)(=O)O)c(CCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06998757
38612,CCCc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8593146
38613,CCOc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77957773
38614,COC1CCN(CCN2CCN(c3ccccc3-c3cccc(-c4ccc(Br)cc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77762645
38615,COCCCN1CCN(Cc2cccc(C3CCCCC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6386823
38616,COCCCN1CCN(Cc2cccc(CN(C)S(=O)(=O)c3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4436137
38617,COc1cc2c(cc1O)C1Cc3cccc(C(=O)NCc4ccc5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53533846
38618,COc1cc2c(cc1O)CCN1Cc3c(Cc4cccc(NC(C)=O)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3021754
38619,COc1cc2c(cc1OC)C1Cc3cccc(-c4cc(C(F)(F)F)ccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65087676
38620,COc1cc2c(cc1OC)C1Cc3cccc(-c4cccc(CO)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62619877
38621,COc1ccc(OCCC(F)Cc2ccc(F)cc2)cc1C(=O)NC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.040993933
38622,COc1ccc(OCCN2CCCC(Cc3ccc4ccccc4n3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.40422782
38623,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(c2ccc(C)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18083428
38624,COc1ccc(OCCN=S(C)(=O)O)cc1NC(C)Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.061735895
38625,COc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1CN1CCN(S(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.10098789
38626,COc1ccc(OCCNS(=O)(=O)c2ccc(F)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.061937224
38627,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(Cc2ccc3c(c2)NC(=O)CC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.30627257
38628,COc1ccc(OCCS(C)(=O)=O)cc1C1CCC(Cc2ccc(OC3CCCC(=O)N3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.14105596
38629,COc1ccc(OCCS(N)(=O)=O)cc1CN1CCC(Oc2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.40312454
38630,COc1ccc(OCCc2ccc(OCC(F)(F)F)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08126433
38631,COc1cccc(CN2CCN(CCCCc3ccc4ccccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.74348617
38632,COc1cccc2c1CCN2c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60764736
38633,COc1cccc2c1CN1CCc3cc(-c4c(OC)cccc4OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78135633
38634,COc1cccc2c1CN1CCc3cc(CO)c(OCc4ccc(O)cc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6979426
38635,COc1ccccc1N1CCN(CCN2CCC(c3cnc(-c4ccc(F)cc4)o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8257705
38636,CSOc1ccc(OCCNCC2C(=O)CCc3ccc(CC(=O)O)cc32)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.1306759
38637,CSc1ccc(CC2CCCN(Cc3cc(OCCS(C)(=O)=O)ccc3ONS(C)(=O)=O)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.21824417
38638,Cc1cc(OCCN2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5301269
38639,Cc1cc(OCCNC(=O)Cc2ccc(OC3CCNCC3)cc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.015122643
38640,Cc1cc(OCCNS(C)(=O)=O)ccc1OCC(O)COc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.051147245
38641,Cc1cc(OCCNS(C)(=O)=O)ccc1ONC(=O)Cc1ccc2c(c1)CC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.05038122
38642,Cc1coc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6014424
38643,ClC1CCN(CCN2CCN(c3ccccc3Cc3cnc(-c4ccccc4)o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7752156
38644,O=C1Nc2ccccc2C1CCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6768578
38645,O=C1c2ccccc2C[SH]1(=O)c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68864715
38646,O=Cc1ccc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63129586
38647,O=NC(N=CCc1ccccc1)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50015706
38648,O=S(=O)(NC1CCN(CCN2CCN(c3ccccc3F)CC2)CC1)c1cccc(F)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71687466
38649,Oc1cc2c(cc1-c1ccc(F)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7946639
38650,CC(=O)NCc1cc(OCCNS(C)(=O)=O)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.021706088
38651,CC1(c2cccc(CN3CCN(CCCCl)CC3)c2)C(=O)Nc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5108139
38652,CCCCN1CCN(Cc2cccc(Cc3ccccc3O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46452507
38653,CCCOc1ccc(ONS(C)(=O)=O)c(CCn2ccc(C(C)C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12205709
38654,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCCC(Cc3ccc(OC4CCC(=O)NC4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22159202
38655,CCCOc1ccc(OS(=O)(=O)O)c(N2CCCC(Cc3cccc4cc(F)ccc34)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16818863
38656,CCCOc1ccc(OS(C)(=N)=O)c(N2CCCC(Cc3ccccc3OC3CCCCC3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2257688
38657,CCCOc1ccc(OS(C)(=O)=O)c(C(=O)COc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22476403
38658,CCCOc1ccc(OS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06135964
38659,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3ccc(CC4CCC4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27027702
38660,CCCOc1ccc(OS(N)(=O)=O)c(N2CCCC(c3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26235834
38661,CCOCCOc1ccc(OC)c(Cc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.110580094
38662,CCOc1ccccc1N1CCN(Oc2ccc(OCCF)cc2C(C)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27253306
38663,COCCOc1ccc(OC)c(CN2CCN(c3ccccc3OC(F)(F)F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.80439544
38664,COCCOc1ccc(OC)c(CNc2ccc(Cl)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04562037
38665,COCCOc1ccc(OC)c(COCC2CCCc3ccc(OC)cc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30177227
38666,COc1cc2c(cc1C)CCN1Cc3c(COCc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74344915
38667,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(cccc3N(C)C)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.82520586
38668,COc1cc2c(cc1O[N+](=O)C(C)=O)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4906277
38669,COc1ccc(OCCC(=O)CCc2ccc3c(c2)NC(=O)CC3)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.1668762
38670,COc1ccc(OCCCC(=O)c2ccc(F)cc2)cc1CNCC1CCCCN1,[*]CCOc1ccc(O[*])c([*])c1,0.13520017
38671,COc1ccc(OCCCN)cc1C(=O)COc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.2253231
38672,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1S(=O)(=O)Cc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.113181695
38673,COc1ccc(OCCS(C)(=O)=O)cc1-c1cc2c(cc1CC1CCCCC1)CCC(=O)NC2,[*]CCOc1ccc(O[*])c([*])c1,0.2773624
38674,COc1ccc(OCCS(C)(=O)=O)cc1NC(=O)Cc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.007341409
38675,COc1ccc(OCC[SH](C)(=O)O)cc1NCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.062018726
38676,COc1ccc2c(c1)CC(NCc1ccccc1N1CCN(CCN3CCC(OC)CC3)CC1)CC2,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7227338
38677,COc1cccc(-c2cc(C(=O)NCCN3CCN(F)CC3)ccc2F)c1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35069236
38678,COc1cccc2c1CN1CCc3cc(Cc4cccc(C#N)c4)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6719486
38679,COc1ccccc1N1CCN(CCCOc2ccc(OOC(C)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.9135486
38680,Cc1cc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.60510004
38681,Cc1cc(OCCN2CCC(Cc3cccc(S(C)(=O)=O)c3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6313057
38682,Cc1cc(OCCN2CCC(c3ccc(F)cc3)CC2)ccc1OCS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6546195
38683,Cc1cc(OCCNCCc2ccc(F)cc2)ccc1OS(=O)(=O)N(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.15265463
38684,Cc1cc(OCCNCc2ccccc2)ccc1OS(=O)(=O)N(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.29093567
38685,Cc1cc(OCCNS(=O)(=O)c2cc(Cl)ccc2F)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.058326483
38686,ClC1CCN(CCN2CCN(c3ccccc3Nc3cnccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.54473555
38687,ClCCCN1CCN(Cc2cccc(Cc3cccc4c3Cc3ccccc3-4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66341215
38688,Nc1cc2c(cc1O)CCN1Cc3c(Cc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7011608
38689,O=C(NCCCCN1CCN(Cc2cccc(OCCF)c2)CC1)c1cc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62285334
38690,O=S(O)(=Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)C(F)(F)F,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59697366
38691,O=[N+]([O-])C1CCN(CCN2CCN(c3ccccc3-c3cnc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66809344
38692,O=c1c2ccccc2ccn1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5858474
38693,Oc1cc2c(cc1Cc1ccc[nH]1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6123199
38694,Oc1cc2c(cc1Cl)CCN1Cc3c(cccc3-c3ccc(OCc4ccccc4)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5722493
38695,Oc1ccc2c(c1)nc(O)n2-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6888755
38696,Oc1ncc(F)cc1C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8464316
38697,CC1CCN(CCN2CCN(c3ccccc3-c3ccc(Cl)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7698573
38698,CC1c2ccccc2C(=O)N1CCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6440795
38699,CCCCN1CCN(Cc2cccc(-c3cc4ccccc4oc3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59938645
38700,CCCOc1ccc(OC)c(N2CCCC(c3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3885971
38701,CCCOc1ccc(OCN2CCN(Cc3ccco3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3925099
38702,CCCOc1ccc(ON)c(CN2CCc3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5360635
38703,CCCOc1ccc(ON=S(C)(=O)O)c(NCc2ccc3c(c2)CC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15385473
38704,CCCOc1ccc(OSC)c(N2CCN(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.76075685
38705,CCCc1ccccc1N1CCN(CCN2CCC(n3cccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8030141
38706,CCOc1cc2c(cc1OC)CCC(CNCCOc1ccc(ON)c(C)c1)O2,[*]CCOc1ccc(O[*])c([*])c1,0.25543165
38707,CCOc1ccccc1N1CCN(c2cc(OCCOS(C)(=O)=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2736561
38708,CNc1ccc2c(c1)CC(C)CN(Oc1ccc(OCCF)cc1C)C2,[*]CCOc1ccc(O[*])c([*])c1,0.29180017
38709,COC1CCN(CCN2CCN(c3ccccc3-c3cc(O)nc(-c4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7835959
38710,COC1CCN(CCN2CCN(c3ccccc3-c3ccccc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8069259
38711,COCCCN1CCN(Cc2cccc(-n3ccc(-c4ccccc4)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5657725
38712,COCCCN1CCN(Cc2cccc(C3=CC(=O)c4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6151482
38713,COCCOc1ccc(OC)c(NC(=O)c2cccc(Cc3ccccc3)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.022241518
38714,COCCOc1ccc(OCN2CCC(c3cccc(OC)c3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5354604
38715,COCCOc1ccc(OCN2CCN(c3ccccc3C(C)=O)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.44129828
38716,COc1cc2c(cc1-c1c(C)ccn1C)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73428917
38717,COc1cc2c(cc1C(=O)NCc1cccc(C)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40378132
38718,COc1cc2c(cc1C(=O)Nc1cccc(CO)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32389084
38719,COc1cc2c(cc1C(=O)c1ccc[nH]1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5614327
38720,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3c(C#N)ccc4ccccc34)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.619715
38721,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccccc4[N+](=O)[O-])c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.493543
38722,COc1cc2c(cc1OC)C1Cc3cccc(CC(=O)NOCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.2928142
38723,COc1ccc(OCCC(CCc2ccc3c(c2)NC(=O)CC3)OC)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.19082218
38724,COc1ccc(OCCCCCc2ccc3c(c2)NC(=O)CCC3)cc1[SH](C)(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.23421197
38725,COc1ccc(OCCF)cc1NS(=O)(=O)c1ccccc1C(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.069366015
38726,COc1ccc(OCCN2CCN(C)CC2c2cccc(C(F)(F)F)c2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.42958292
38727,COc1ccc(OCCNCCCc2ccc(F)cc2)cc1CSc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.36498928
38728,COc1ccc(OCCOS(C)(=O)=O)cc1CNc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.07157896
38729,COc1cccc(-c2cccc3c2CN2CCc4cc(OC)c(OCc5ccccc5)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49708775
38730,COc1cccc(-c2nc(F)ccc2-c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7570352
38731,COc1cccc(CCCCN2CCN(Cc3cccc(F)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6908501
38732,COc1cccc(CN2CCN(CCCCN3Cc4ccccc4C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7613366
38733,COc1cccc2c1CN1CCc3cc(NC(=O)Nc4cc(Cl)ccc4Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36137202
38734,COc1ccccc1N1CCN(CCN2CCC(CNC(=O)OC(C)(C)C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8559885
38735,Cc1cc(OCCN2CCCC(Cc3ccc(C(F)(F)F)cc3)C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.3566419
38736,Cc1cc(OCCNC(=O)c2ccc(F)cc2)ccc1OCN1CCC(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21411099
38737,Cc1cc(OCCNC2CCN(Cc3ccccc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.44208527
38738,Cc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1nc2ccccc2s1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.25850263
38739,Cc1cccc(C(=O)NCc2cc3c(cc2C)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3533378
38740,Cc1cccc2c1CN1CCc3cc(O)c(OCc4ccc(CO)cc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5527587
38741,ClCCCN1CCN(Cc2cccc(-c3cccc(-c4ccco4)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5608901
38742,Fc1ccc(F)c(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8187246
38743,O=C(c1ccc2ccccc2c1)C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7652644
38744,Oc1cc2c(cc1CNOCc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6127715
38745,CC(C)Oc1ccccc1N1CCN(CCN2CCC(CF)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81477916
38746,CC1CCN(CCN2CCN(c3ccccc3Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78106445
38747,CCCOc1ccc(OCNS(C)(=O)=O)c(CCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.097857244
38748,CCCOc1ccc(OCNS(C)(=O)=O)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07766253
38749,CCCOc1ccc(OOC)c(N2CCC=C(F)C=CC3=CN(CC2)C3=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26755354
38750,CCOC(=O)c1cccc2c1CN1CCc3cc(O)c(C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44016367
38751,CNS(=O)(=O)Oc1ccc(OCCCCCc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.1586335
38752,COC(=O)Cc1cc(OCCN2CCCC(Cc3ccc(F)cc3)C2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.30346712
38753,COC1=CC=C2C=C(CC1)C(CCCNCCOc1ccc(ONS(C)(=O)=O)c(C)c1)C2,[*]CCOc1ccc(O[*])c([*])c1,0.269958
38754,COC1CCN(CCN2CCN(c3ccccc3-c3cc(-c4ccc(O)cc4)ccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7297894
38755,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(Br)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8231572
38756,COCCCN1CCN(Cc2cccc(C3=NS(=O)(=O)c4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4878752
38757,COCCOc1ccc(OCN2CCCN(c3ccccc3OC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5879742
38758,COOc1ccc(OCCN2CCC(NC(=O)OCc3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.45498002
38759,COc1cc2c(cc1C(O)c1ccc3ccccc3c1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60586435
38760,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(Br)cc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6917886
38761,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccoc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74225223
38762,COc1ccc(Br)cc1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79090255
38763,COc1ccc(OCCC(F)CCc2ccc3c(c2)NC(=O)CC3)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.24643445
38764,COc1ccc(OCCC(N)=O)cc1CN1CCC(Oc2ccccc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.320314
38765,COc1ccc(OCCN2CCC(Cc3ccc4ccccc4c3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.67410105
38766,COc1ccc(OCCN2CCCC(S(=O)(=O)c3cccc(F)c3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.6775029
38767,COc1ccc(OCCNC(=O)Cc2cccs2)cc1OC1CCN(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.26346025
38768,COc1ccc(OCCNC(C)=O)cc1N1CCN(c2ccccc2OCCF)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31753114
38769,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(c2ccc3ccccc3c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.35598513
38770,COc1ccc(OCCOCC(C)C)cc1CN1CCC(C(=O)c2ccc(SC)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3892957
38771,COc1ccc(OCCS(=O)(=O)Cc2ccc(F)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07767808
38772,COc1ccc2[nH]cc(C(=O)c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)c2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.61835015
38773,COc1ccc2cc(C(=O)c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)sc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.694864
38774,COc1cccc(C(=O)C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80804455
38775,COc1cccc(CN2CCN(CCCCN3C(=O)CC(C)c4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60524684
38776,COc1cccc2c1CN1CCc3cc(CO)c(-c4ccccn4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6452201
38777,COc1ccccc1N1CCN(CCN2CCC(C(=O)OCc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7789862
38778,COc1ccccc1N1CCN(CCN2CCC(N(C)C(=O)c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79602844
38779,COc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4cnco4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.90507203
38780,COc1ccccc1N1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.75371885
38781,CS(=O)(=O)Cc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5984217
38782,CSOc1ccc(OCCN2CCC(Oc3ccc4ccccc4c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6454476
38783,Cc1cc(OCCN2CCC(NS(=O)(=O)c3ccc(F)c(F)c3)CC2)ccc1OOC(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.5556262
38784,Cc1cc(OCCNS(=O)(=O)c2ccc(F)c(F)c2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.0496084
38785,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(COc2ccc3c(c2)NC(=O)C(=O)C3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27022344
38786,Cc1cc2c(cc1O)C1Cc3cccc(N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66456974
38787,Cc1cccc2c1CN1CCc3cc(OCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5903202
38788,ClCCCN1CCN(Cc2cccc(NCc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49305955
38789,FC(F)(F)CCCN1CCN(Cc2cccc(-c3cccc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57744414
38790,O=C(C=Cc1ccccc1)NCc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6271989
38791,Oc1cc2c(cc1CNCc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5773074
38792,Oc1cccc2c1CN1CCc3cc(N4CCCCC4O)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5956722
38793,CCCOc1ccc(ON)c(CNC(=O)c2ccc(N3CCN(C)CC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23775795
38794,CCCOc1ccc(ONC)c(N2CCN(c3cc(F)ccc3F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37584352
38795,CCCOc1ccc(ONS(C)(=O)=O)c(CC(C)COc2ccc3c(c2)CCC(=O)N3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12847392
38796,CCCOc1ccc(ONS(C)(=O)=O)c(Cn2cccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10713625
38797,CCCOc1ccc(OS(=O)(=O)c2ccccc2)c(N2CCC(Oc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32283512
38798,CCCc1ccc(Cl)cc1NS(=O)(=O)c1cc(OCCF)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.1445072
38799,CCN(C)Cc1cc(OCCCNC(=O)c2ccccc2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.10253749
38800,CCOc1ccccc1C1=CCN(CCOc2ccc(OSC)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.51149184
38801,CCOc1ccccc1N1CCN(CCN2CCC(c3ccc(NC(C)=O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.602893
38802,CNc1ccc(Oc2ccccc2)cc1C1CCN(CCN2CCN(c3ccccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7495137
38803,COC1CCN(CCN2CCN(c3ccccc3-c3ccccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7458907
38804,COC1CCN(CCN2CCN(c3ccccc3OC(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9112285
38805,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4nc(O)ccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82410514
38806,COCCOc1ccc(OC)c(CNc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04487385
38807,COCCOc1ccc(OC)c(N2CCCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28902432
38808,COCCOc1ccc(Oc2ccc(F)cc2)c(CN2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6782313
38809,COc1cc2c(cc1CC(=O)Nc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.21614848
38810,COc1cc2c(cc1Cc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5922207
38811,COc1cc2c(cc1Cc1ccccc1[N+](=O)[O-])CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5001593
38812,COc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1ccc(-c2ccccc2)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29772612
38813,COc1ccc(CC(O)c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6711884
38814,COc1ccc(CC2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8582075
38815,COc1ccc(OCCCN2CCC(C)C2)cc1-c1ccc(C(F)(F)F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.46386293
38816,COc1ccc(OCCN2CCC(c3ccccc3)CC2)cc1C=O,[*]CCOc1ccc(O[*])c([*])c1,0.70040685
38817,COc1ccc(OCCN2CCOC(CCc3ccc(F)cc3)C2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.38567019
38818,COc1ccc(OCCNC(C)=O)cc1CN1Cc2ccccc2CC1C,[*]CCOc1ccc(O[*])c([*])c1,0.17770673
38819,COc1cccc(-c2nc(O)ccc2-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7340698
38820,COc1ccccc1N1CCN(CCCOc2ccc(OC)c(S(C)(=O)=O)c2)C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.30417225
38821,COc1ccccc1N1CCN(CCN2CCC(CC(=O)Nc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.60459775
38822,COc1ccccc1N1CCN(CCN2CCC(Oc3ccc4c(F)cc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80123377
38823,COc1ccccc1N1CCN(CCN2CCC(c3cc(F)cnn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.86559707
38824,CSOc1ccc(OCCN2CCC(Oc3ccc4c(c3)NC(=O)CCS4)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.52136415
38825,Cc1cc(OCCC(=O)COc2ccc(F)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.038439736
38826,Cc1cc(OCCCNCc2ccco2)ccc1OCNS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.12504661
38827,Cc1cc(OCCN2CCC(Cc3ccc4ccccc4c3)OC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.39829767
38828,Cc1cc(OCCN2CCCC(c3ccccc3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.50204074
38829,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(c2cc(=O)oc3cc(F)ccc23)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2535783
38830,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCCC(c2ccc(CC(F)(F)F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.19931535
38831,Cc1cc(OCCSCCc2cccs2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.084907815
38832,Cn1cccc1-c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8072224
38833,N#Cc1ccc(Cc2cc3c(cc2O)C2Cc4cccc(OCc5ccccc5)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66303
38834,O=C1C2CCCC2C(=O)N1Cc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5426738
38835,O=c1c(-c2cccc(CN3CCN(CCCCl)CC3)c2)ccnc2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5813698
38836,Oc1ccc(CCCN2CCN(Cc3cccc(F)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5755634
38837,Oc1ccc2ccc(Oc3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)cc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7968201
38838,Oc1ccccc1N1CCN(CCN2CCC(c3cccc(-c4ccc(F)cc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6921397
38839,CCC(C)c1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8036479
38840,CCCC(=O)Oc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57967365
38841,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(CCc3ccc4c(c3)NC(=O)CCC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3917327
38842,CCCOc1ccc(Oc2cccc(CCF)c2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14705622
38843,CN=S(=O)(O)CCOc1ccc(OC)c(N2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2113002
38844,CNOc1ccc(OCCOC2CCc3ccc(C(N)=O)cc3C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.24393299
38845,COC1CCN(CCN2CCN(c3ccccc3COc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7442151
38846,COCCCN1CCN(Cc2cccc(-c3ccc4c(=O)n(-c5ccccc5)c(=O)[nH]c4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5401116
38847,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1cccc(F)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26225588
38848,COc1cc2c(cc1OC(C)C)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8342482
38849,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc5cc(O)ccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6441106
38850,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc(CNC(C)=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39207217
38851,COc1ccc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1OC,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7546345
38852,COc1ccc(OCCC(=O)CCc2cc3c(o2)CCCC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.12910968
38853,COc1ccc(OCCCC(=O)c2ccc(F)c(F)c2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.03463987
38854,COc1ccc(OCCCF)cc1CN1CCN(C(C)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.14305018
38855,COc1ccc(OCCN2CCC(c3cccc(C(=O)N4CCCCC4)c3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.2932834
38856,COc1ccc(OCCN2CCC(c3cccc4cc(F)ccc34)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.68390447
38857,COc1ccc(OCCN=S(C)(=O)O)cc1C1CCN(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.48685256
38858,COc1ccc(OCCN=S(C)(=O)O)cc1N1C(=O)CC(=O)CC12CCCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.085255496
38859,COc1ccc(OCCNS(=O)(=O)c2cccs2)cc1CN1CCN(C)CC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.23899017
38860,COc1ccc(OCCS(C)(=O)=O)cc1C1CCC(Cc2ccc(OC3CCCNC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.15251914
38861,COc1ccc(OCCS(C)(=O)=O)cc1C1CCCC(Cc2ccc3c(c2)NC(=O)CC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.34529108
38862,COc1ccc(OCCS(C)(=O)=O)cc1CCCc1ccc(NC2CCCCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.08443333
38863,COc1ccc(OCCSC)cc1CNC(=O)c1cccc(C(C)(C)F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.02017396
38864,COc1cccc(CN2CCN(CCCCNC(=O)c3cc4cccccc-4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.573106
38865,COc1cccc(CN2CCN(CCCCNC(=O)c3cccc(-c4cccs4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5594474
38866,COc1ccccc1C(=O)NCc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.44742712
38867,COc1ccccc1N1CCN(CCN2CCC(NC(=O)Nc3cccc(F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7180106
38868,COc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3ccc(Cl)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7940556
38869,COc1ccccc1N1CCN(Oc2ccc(OCCOCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31903797
38870,CSOc1ccc(OCCCN2CCC(Cc3ccc4c(c3)NC(=O)CCS4)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.57485807
38871,CSc1ccc(N2CCN(Oc3ccc(OCCNC(=O)Cc4ccc(C=O)cc4)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.05733223
38872,CSc1ccccc1N1CCN(CCN2CCC(C(=O)c3cc(O)nc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5884302
38873,Cc1cc(OCCF)ccc1ONS(=O)(=O)c1sccc1C,[*]CCOc1ccc(O[*])c([*])c1,0.05069661
38874,Cc1cc(OCCNCCc2ccc3c(c2)NC(=O)CC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.21024747
38875,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCN(CC(=O)N2c3ccccc3CC2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.34075603
38876,Cc1ccccc1N1CCN(CCN2CCC(C(=O)Nc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.459071
38877,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cc4ccc3C=CC=C4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4971067
38878,ClC1CCN(CCN2CCN(c3ccccc3-c3cc(Br)cc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74738294
38879,N#Cc1ccccc1Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6943193
38880,NC(=O)Oc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56191057
38881,ON=CNc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48997942
38882,Oc1ccc2sc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)nc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6698321
38883,[O-]c1ccccc1N1CCN(CCN2CCC(n3c(O)cc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.666103
38884,C=Cc1ccccc1OC1CCN(CCCOc2ccc(ONS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.57311255
38885,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccccn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79161406
38886,CC1(C)Cc2ccccc2N1CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6354858
38887,CC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccc(S)nc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7074231
38888,CC1Cc2ccccc2N1C(=O)c1cccc(CN2CCN(CCCc3ccc(F)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68615514
38889,CCCOc1ccc(OCF)c(CNCC2CCc3ccc(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5449196
38890,CCCOc1ccc(OCN2CCN(c3ccc(C)cc3)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4135744
38891,CCCOc1ccc(OS(C)(=O)=O)c(C(O)CCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05097346
38892,CCCOc1ccc(OS(C)(=O)=O)c(CCCc2ccc(OC3CCCCN3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16795623
38893,CCCOc1ccc(OS(C)(=O)=O)c(NCCC2CCc3ccc(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3910015
38894,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(Oc3ccccc3CC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28994417
38895,CCCOc1ccc(OS(N)(=O)=O)c(N2CCCC(c3cc4ccccc4o3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29599613
38896,CCOCCCN1CCN(Cc2cccc(NC(=O)c3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3539466
38897,COC(=O)NOc1ccc(OCCN2CCC(c3ccc(Cl)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5498262
38898,COC1CCN(CCN2CCN(c3ccccc3-c3cc(C)ccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68936795
38899,COC1CCN(CCN2CCN(c3ccccc3-c3cc4ccccc4nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8023145
38900,COCCOc1ccc(OC)c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35270336
38901,COCCOc1ccc(ON2CCN(c3ccccc3C(C)O)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2358082
38902,CONCc1cccc2c1CN1CCc3cc(OC)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64734894
38903,COc1cc2c(cc1O)C1Cc3cccc(C4NCCCC4OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71025735
38904,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(OCO)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7350568
38905,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccccc4Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65736604
38906,COc1cc2c(cc1OC)C1Cc3cccc(C=CCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7219965
38907,COc1cc2c(cc1OC)C1Cc3cccc(Cc4c[nH]c5ccc(CO)cc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6786374
38908,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc(COc5ccccc5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.596989
38909,COc1ccc(OCCF)cc1CN1CCC(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6861969
38910,COc1ccc(OCCN2CCC(CN3CCCCC3)C2=O)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.24983373
38911,COc1ccc(OCCN2CCC(Cc3ccc(Cl)cc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.64892894
38912,COc1cccc(CN2CCN(CCCc3ccc(S(C)=O)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5531283
38913,COc1cccc(CN2CCN(CCCc3nc(-c4ccccc4)cs3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5045511
38914,COc1cccc2c1CN1CCc3cc(C(C)=O)c(Oc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46775004
38915,COc1cccc2c1CN1CCc3cc(C=[N+](O)c4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67652285
38916,COc1ccccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.37423295
38917,COc1ccccc1N1CCC(COc2ccc(OCCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.34509888
38918,CS(=O)(=O)c1ccccc1N1CCN(CCN2CCC(c3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7870108
38919,Cc1cc(OCCC=Cc2cccs2)ccc1ON1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.40679625
38920,Cc1cc(OCCN2CCC(NC(=O)c3ccc(F)c(F)c3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.52109164
38921,Cc1cc(OCCN2CCC(NC(=O)c3cccc(C(F)(F)F)c3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.46831453
38922,Cc1cc(OCCN2CCOC(Cc3ccccc3)C2)ccc1OS(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.34390453
38923,Cc1cc(OCCNCCOc2cccc3c2CCCC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2221908
38924,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCCC(c2ccccc2C)C1,[*]CCOc1ccc(O[*])c([*])c1,0.24163291
38925,Cc1ccc(C)c(C(=O)c2cccc(CN3CCN(CCCF)CC3)c2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.50598866
38926,Cc1cccc2c1CN1CCc3cc(-c4cc(F)cc(C(F)(F)F)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60674185
38927,Cc1cccc2c1CN1CCc3cc(Oc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6475303
38928,Cc1ccccc1N1CCN(CCN2CCC(C(=O)Nc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4965527
38929,ClCCCN1CCN(Cc2cccc(Oc3cccc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6278822
38930,O=C(Oc1cccc(CN2CCN(CCCCl)CC2)c1)C1CCCc2ccccc2C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4939546
38931,O=C1Nc2ccccc2CC1c1cccc(CN2CCN(CCCOC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65514994
38932,Oc1cccc2c1CN1CCc3cc(C4(O)CCCCC4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61621493
38933,CC(=O)N1CCN(CCCOc2ccc(OCCCn3ccc(C(F)(F)F)cc3=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.35024297
38934,CC(=O)c1ccc(F)cc1SCCCOc1ccc(ON=S(C)(=O)O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04907096
38935,CC1(C)Cc2ccccc2N1C(=O)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67380595
38936,CCCOc1ccc(OCNc2ccccc2OCC)c(NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09486369
38937,CCCOc1ccc(ON2CCC(c3ccccn3)CC2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21950725
38938,CCCOc1ccc(ON2CCCN(c3ccc(C)cc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17883533
38939,CCCOc1ccc(ON2CCN(C)CC2)c(Cc2cccc(OC)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4785922
38940,CCCOc1ccc(OOC)c(CCNC(=O)c2ccc(C)o2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.015686372
38941,CCCOc1ccc(OOC)c(N2CCC(C(=O)c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1892637
38942,CCCOc1ccc(OSC)c(CC(=O)Nc2ccccc2Cl)c1,[*]CCOc1ccc(O[*])c([*])c1,0.019360805
38943,CCCOc1ccc(OSC)c(NC(=O)COc2ccccc2C2CCNCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.082837194
38944,CCNC(C)Cc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67572176
38945,CCOc1ccc(Cc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6251531
38946,CCOc1cccc(Cc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65013176
38947,CCc1ccc(-c2cc(OCCN=S(C)(=O)O)ccc2OC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.052510902
38948,CNc1ccc(-c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5333704
38949,COC(=O)C1=NCN(Cc2cc(OCCCc3cccc(F)c3)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.30197105
38950,COC(=O)N1c2ccccc2CC1C=CCCCN1CCN(Cc2cccc(OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5499708
38951,CON1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(-c3ccccc3O)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35097736
38952,COOc1ccc(OCCF)cc1CN1CCN(c2ccc(C(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7610073
38953,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccccc1OCc1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30497622
38954,COc1cc2c(cc1O)CCN1Cc3c(CC#N)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7592944
38955,COc1cc2c(cc1OC)CC(NCCOc1ccc(ON=S(C)(=O)O)c(C)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.3467744
38956,COc1ccc(-c2cc3c(cc2OC)C2Cc4cccc(Cc5cccc(OC)c5)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5949304
38957,COc1ccc(COc2ccc(-c3cc4c(cc3Cl)C3Cc5cccc(O)c5CN3CC4)cc2)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6752271
38958,COc1ccc(OCCN2CCN(Cc3cccc(C(C)=O)c3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.3625905
38959,COc1ccc(OCCS(=O)(=O)Cc2ccc(C(C)=O)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.054123532
38960,COc1ccc(OCCSC)cc1N1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.3292029
38961,COc1ccc(OCCc2ccc(C(C)=O)cc2)cc1N1CCCC(S(=O)(=O)c2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.13918549
38962,COc1cccc2c1CN1CCc3cc(C)c(S(=O)(=O)C(F)(F)F)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65244853
38963,COc1ccccc1-c1cc(C(=O)NCCN2CCN([O-])CC2)ccc1OS(C)(=O)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2932193
38964,COc1ccccc1C(=O)CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5356695
38965,COc1ccccc1N1CCN(CCN2CCC(Cn3cc(-c4ccccc4)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87230057
38966,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccn[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87336856
38967,CS(=O)(=O)ON1CCN(CCNC(=O)c2ccc(O)c(-c3ccccc3Cl)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3640782
38968,CSOc1ccc(OCCN2CCCC(Cc3ccc4c(c3)NC(=O)CC4)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.4930429
38969,CSOc1ccc(OCCNCCc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.24270007
38970,Cc1cc(OCCN2CCCCC2)ccc1OCNCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.340622
38971,Cc1ccccc1-c1cc(C(=O)NCCN2CCN([N+](=O)[O-])CC2)ccc1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.22883485
38972,Cc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.62089586
38973,FC(F)(F)c1ccccc1N1CCN(CCN2CCC(c3nc(-c4ccccc4)cs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7829364
38974,Fc1ccc(-c2cnn(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)c2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79008543
38975,O=C(Nc1ccccc1F)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36394265
38976,O=C1N(c2ccc(F)cc2)CCN1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66396767
38977,O=CNCc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51838875
38978,O=c1n(Cc2cccc(CN3CCN(CCCF)CC3)c2)ccn1-c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.650772
38979,Oc1ccccc1CCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5691869
38980,CC(C)Oc1ccccc1N1CCN(CCN2CCC(Oc3ccccc3C(N)=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8255775
38981,CCCOc1ccc(OCOCC)c(N2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35252607
38982,CCCOc1ccc(OF)c(NCC2CCc3ccc(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.508869
38983,CCCOc1ccc(ON2CCN(C(C)=O)CC2)c(CF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0752661
38984,CCCOc1ccc(OOC)c(N2CCCN(c3ccccc3C(C)C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3154308
38985,CCCOc1ccc(OS(N)(=O)=O)c(-c2ccc(CCc3ccc(OC)cc3)s2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.057984143
38986,CCCOc1ccc(Oc2ccc(CCCF)cn2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10822783
38987,CCOc1ccccc1N1CCN(CCN2CCC(c3ccc(O)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8268454
38988,CN(Cc1ccccc1)Cc1cccc2c1CN1CCc3cc(O)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7428153
38989,COCCOc1ccc(OC)c(CN2CC(Cc3ccc(S(C)(=O)=O)cc3)CCC2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09844422
38990,COCCOc1ccc(OCCCCn2cc(C)cc2O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06447431
38991,CON1CCN(CCNC(=O)c2ccc(Cl)c(-c3ccccc3[N+](=O)[O-])c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3241372
38992,CONCc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5285664
38993,COOc1ccc(OCCN2CCC(Cc3ccc(C(C)=O)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.44889888
38994,COc1cc2c(cc1NC(=O)OCc1ccccc1)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3653208
38995,COc1cc2c(cc1O)C1Cc3cccc(Sc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7719657
38996,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc(OC)c(C#N)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6988591
38997,COc1cc2c(cc1OC)C1Cc3cccc(COCc4ccc(C=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73237973
38998,COc1cc2c(cc1OC)C1Cc3cccc(NC(=O)C4CCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.27647328
38999,COc1ccc(-c2cc3c(cc2OC)C2Cc4cccc(OC)c4CN2CC3)cc1OC,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6852596
39000,COc1ccc(C(=O)NCCN2CCN(O)CC2)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.23661125
39001,COc1ccc(OCCC=O)cc1NCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.067941874
39002,COc1ccc(OCCCC(=O)Cc2ccc(F)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.05428254
39003,COc1ccc(OCCN2CCC(C(=O)c3ccc(SC)cc3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.45835987
39004,COc1ccc(OCCN2CCC(NCc3ccc(F)cc3)C2=O)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.30841202
39005,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1CN1C=CC(C(=O)O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.13778955
39006,COc1ccc(OCCNC2CCC(c3ccccc3)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.1154005
39007,COc1ccc(OCCNCCc2ccccc2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.21474598
39008,COc1ccc2nccc(C(=O)NCc3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)c2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66977555
39009,COc1cccc(CN2CCN(CCCn3c(=O)n(-c4ccccc4)c(=O)c4cc(F)ccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.511889
39010,COc1cccc2c1CN1CCc3cc(-c4ccc(O)cc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73578835
39011,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.91301095
39012,Cc1cc(OCCF)ccc1OCN1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.37753525
39013,Cc1cc(OCCOC(=O)CCc2ccc3c(c2)CC(=O)CC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.067639686
39014,Cc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.61989146
39015,Clc1cccc(CN2CCN(CCCCCc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.87472296
39016,Cn1c(-c2ccccc2)nnc1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73705786
39017,FCCCN1CCN(Cc2cccc(-c3csc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7051567
39018,FCCCN1CCN(Cc2cccc(Oc3ccc(F)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67706275
39019,O=C(NCc1ccccc1N1CCN(CCN2CCC(O)CC2)CC1)c1ccc2ccccc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7055279
39020,O=C1NCCN1c1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48524234
39021,O=c1c2ccccc2ncn1C1CCN(CCN2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5813
39022,OCCCN1CCN(Cc2cccc(-c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7184977
39023,Oc1cc2c(cc1O)C1Cc3cccc(Cc4cccc(Cl)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56130415
39024,Oc1cccc(CCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)n1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69798404
39025,Oc1cccc(Cc2cccc(CN3CCN(CCCCl)CC3)c2)n1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6973319
39026,Oc1ccccc1C1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8414336
39027,C=S(O)(O)=NOc1ccc(OCCOC(=O)Cc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.10857063
39028,CC(=O)C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)NC1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.30989265
39029,CC(=O)Cc1ccccc1OCCOc1ccc(ONCS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.050285533
39030,CC(C)Oc1ccccc1N1CCN(CCN2CCC(n3ccc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8400385
39031,CCCOc1ccc(OC(N)=O)c(NCCc2ccccc2F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.039400432
39032,CCCOc1ccc(ON=S(C)(=O)O)c(C(F)Cc2ccc(C3CCNCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14453536
39033,CCCOc1ccc(ONC(CC)c2ccccc2)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.80999863
39034,CCCOc1ccc(OS(C)(=O)=O)c(N2CCN(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2757732
39035,CCCOc1ccc(OS(C)(=O)=O)c(N2CCN(c3ccccc3SC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2335118
39036,CCOc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26211283
39037,CCOc1cccc2c1CN1CCc3cc(CO)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72879905
39038,CCOc1ccccc1OCc1cc(OCCOC)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.1166872
39039,COC1CCN(CCN2CCN(c3ccccc3Oc3cc4ccccn4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82307047
39040,COCCOc1ccc(OC)c(N2CCCC(CCc3ccc4c(c3)NC(=O)CC4)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38461384
39041,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccccc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33923522
39042,COc1cc2c(cc1OC)C1Cc3cccc(C(F)(F)F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79877347
39043,COc1cc2c(cc1OC)C1Cc3cccc(Cc4cccs4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72034967
39044,COc1ccc(CC(C)c2cc(OCCC(=O)[SH]=O)ccc2OC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.024787147
39045,COc1ccc(CC2CCN(Oc3ccc(OCCCS(N)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.20193334
39046,COc1ccc(OCCCF)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.07165922
39047,COc1ccc(OCCF)cc1N1CCN(CCc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.85541224
39048,COc1ccc(OCCN2CCC(c3ccccc3F)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6769406
39049,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1N1CCC(C(=O)O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21593836
39050,COc1ccc(OCCNCc2ccccc2)cc1CS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.28076723
39051,COc1ccc(OCCNS(C)(=O)=O)cc1-c1c(OCC2CCCCC2)ccc2c1CCCC(=O)N2,[*]CCOc1ccc(O[*])c([*])c1,0.115132436
39052,COc1ccc(OCCNS(C)(=O)=O)cc1C1CCCC(Cc2ccc3c(c2)NC(=O)CCC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24852277
39053,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCCCC1Cc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.29423457
39054,COc1ccc(OCCS(C)(=O)=O)cc1NCCC1CC(=O)Nc2cc(CC(C)=O)ccc21,[*]CCOc1ccc(O[*])c([*])c1,0.123607315
39055,COc1ccc(OCCS(C)(=O)=O)cc1OC1CCC(Nc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.13944097
39056,COc1ccc(OCCS(N)(=O)=O)cc1NC(=O)Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.008096204
39057,COc1cccc(CN2CCN(CCCCc3ccc(F)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.75372195
39058,COc1cccc(CN2CCN(CCCc3ccc4c(c3)OCO4)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4817101
39059,COc1ccccc1-c1cc(C(=O)NCCN2CCN(F)CC2)ccc1S(=O)(=O)O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3612888
39060,COc1ccccc1N1CCN(CCN2CCC(COc3ccc4ncc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66525376
39061,CSOc1ccc(OCCNC(=O)COc2ccccc2C2CCCCN2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.06679797
39062,CSc1cccc(C2CCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.681235
39063,CSc1ccccc1N1CCN(CCN2CCC(c3cccc(-c4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79805136
39064,Cc1cc(OCCF)ccc1ON1CCC(Cc2ccccc2)C(O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.34696728
39065,Cc1cc(OCCN=S(C)(=O)O)ccc1OC=CCc1ccccc1OC1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.14324994
39066,FC(F)(F)c1ccc(OCc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69213355
39067,FCCOc1ccc(OCN2CCN(c3ccc(Cl)cc3)CC2)c(CCF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.622235
39068,N#Cc1cccc(NC(=O)c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35385677
39069,O=C(NCCN1CCN(Cl)CC1)c1ccc(F)c(-c2ccccn2)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.42121774
39070,O=[N+]([O-])c1cccc(CN2CCN(CCCC3OCCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.500647
39071,O=[N+]([O-])c1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5286126
39072,Oc1cccc2c1CN1CCc3cc(NOCCc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.589617
39073,CC(C)Oc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8851524
39074,CC(C)c1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7849952
39075,CC(C)c1ccccc1N1CCN(CCN2CCC(c3nc4ccccc4nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6094365
39076,CCCCc1ncccc1-c1cc(OCCC)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.10207382
39077,CCCOc1ccc(ON2CCN(c3ccc(F)cc3C)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26291704
39078,CCCOc1ccc(ON=S(C)(=O)O)c(NC(=O)COc2ccc3ccccc3c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.008927674
39079,CCCOc1ccc(OS(C)(=O)=O)c(CN2CCC(Oc3ccc(C(C)=O)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26078445
39080,CCON1CCN(CCNC(=O)c2ccc(O)c(-c3ccccc3OC)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.38284278
39081,CCOOc1ccc(OCCNS(=O)(=O)CCc2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.08086013
39082,CCOc1ccccc1N1CCN(Cc2cc(OCCN(C)C)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8579361
39083,CNOc1ccc(OCCNS(=O)(=O)Cc2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.07615796
39084,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(OS(C)(=O)=O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7858205
39085,COC1CCN(CCN2CCN(c3ccccc3-c3cnc(-c4ccc(F)cc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70788705
39086,COCCCN1CCN(Cc2cccc(Cn3cccc3OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54445565
39087,COCCOc1ccc(OC)c(-n2cccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15957244
39088,COCCOc1ccc(OC)c(N2CCC(c3ccccc3CCF)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38709292
39089,COCCOc1ccc(OCCN2CCN(c3ccc(Cl)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7306941
39090,COCc1cc2c(cc1OC)CCN1Cc3c(cccc3C(=O)OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40461475
39091,COOc1ccc(OCCCOc2cccc(OC)c2SC)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.14652131
39092,COOc1ccc(OCCNCc2ccc(C)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.1608017
39093,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1Cc1ccc2ccccc2c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3642436
39094,COc1cc2c(cc1O)C1Cc3cccc(-c4cc5ccccc5cc4C#N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.710045
39095,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccccc4[N+](=O)[O-])c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5239303
39096,COc1cc2c(cc1Oc1cccc3ccccc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7778826
39097,COc1ccc(C(=O)NCCN2CCN(c3ccccc3OC(C)=O)CC2)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.7393495
39098,COc1ccc(OCCCS(=O)(=O)c2ccc(F)c(F)c2)cc1N1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29954153
39099,COc1ccc(OCCCc2ccccc2)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7829039
39100,COc1ccc(OCCN2CCCC(c3ccccc3)C2)cc1C(O)C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.41941625
39101,COc1ccc(OCCNC(=O)Cc2ccc3ccccc3c2)cc1N(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.026270423
39102,COc1ccc(OCCS(C)(=O)=O)cc1NCCc1ccc(C)cn1,[*]CCOc1ccc(O[*])c([*])c1,0.051199045
39103,COc1ccc2ccn(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)c2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7415561
39104,COc1cccc(CN2CCN(CCCCNC(=O)c3ccc4ccccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6330162
39105,COc1cccc(CN2CCN(CCCCc3coc(-c4ccco4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65127575
39106,COc1cccc(CN2CCN(CCCc3cc(C=Cc4ccccc4)cs3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.736339
39107,COc1cccc(COCc2cc3c(cc2OC)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7031978
39108,COc1cccc(Oc2cccc3c2CN2CCc4cc(OCc5ccccc5)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73244154
39109,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3sc4ccccc4c3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8205777
39110,COc1ccccc1N1CCN(CCN2CCC(NCc3ccncc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8922863
39111,COc1ccccc1N1CCN(CCN2CCC(OCc3ccc4nc(O)ccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.748838
39112,Cc1cc(OCCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.724376
39113,Cc1cc(OCCN2CCN(c3ccccc3OCCF)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.77972096
39114,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(c2ccccn2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18265168
39115,Cc1cc(OCCNC(=O)COc2ccccc2)ccc1OOC1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.047603432
39116,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCN(Cc2ccccn2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.26783782
39117,Cc1ccc(C(=O)NCCN2CCN(Cl)CC2)cc1-c1cccc2ccccc12,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.28806296
39118,ClC1CCN(CCN2CCN(c3ccccc3-c3nccn3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6989491
39119,Fc1ccc(-c2ccnc(C3CCN(CCN4CCN(c5ccccc5C(F)(F)F)CC4)CC3)c2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.793418
39120,O=C(NCc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2)OCc1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45391566
39121,[O-]OCc1cc2c(cc1CO)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5496797
39122,CC(C)Oc1ccccc1N1CCN(CCN2CCC(C3=NCC(F)(F)C=CC(F)=C3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73006916
39123,CC1(CCCN2CCN(Cc3cccc(Cl)c3)CC2)C(=O)Nc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5717583
39124,CCCOc1ccc(OC(=O)COc2ccccc2)c(N2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1579671
39125,CCCOc1ccc(OC(C)COc2ccccc2)c(N2CCN(C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39766374
39126,CCCOc1ccc(OC=O)c(N2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29173857
39127,CCCOc1ccc(OCNC)c(N2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34295744
39128,CCCOc1ccc(ON2CCC(C(=O)c3ccccc3OCC)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16419633
39129,CCCOc1ccc(OS(C)(=O)=O)c(CC(C)Cc2ccc3c(c2)CCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2095795
39130,CCCOc1ccc(OSC)c(NS(=O)(=O)Cc2cccc(C(C)C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07398918
39131,COc1cc2c(cc1-c1cccc(OC([O-])(F)F)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49175468
39132,COc1cc2c(cc1-c1cccc([N+](=O)F)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59956443
39133,COc1cc2c(cc1C(=O)OCc1ccc(CO)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42130074
39134,COc1cc2c(cc1CCF)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8628977
39135,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc5cc(C#N)ccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58765745
39136,COc1cc2c(cc1Oc1c(OC)cccc1OC)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7217492
39137,COc1ccc(-c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c(C)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63729465
39138,COc1ccc(C#N)c(-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74377084
39139,COc1ccc(OCCC(C)=O)cc1Cc1ccc(C(F)(F)F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.025693221
39140,COc1ccc(OCCCCN2CCCCC2)cc1S(=O)(=O)Cc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.48972744
39141,COc1ccc(OCCCCNC(=O)c2ccc(C)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.023796955
39142,COc1ccc(OCCN2CCCC(Cc3ccc(F)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.56302285
39143,COc1ccc(OCCNS(C)(=O)=O)cc1C1CCC(COc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23782897
39144,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Cc2ccc(C)nc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2249724
39145,COc1cccc(CN2CCC(NCCOc3ccc(OC)c(S(C)(=O)=O)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36096835
39146,COc1cccc(COc2cc3c(cc2O)C2Cc4cccc(OCc5ccccc5)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62662804
39147,COc1cccc(NC(=O)Oc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.37029704
39148,COc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.852586
39149,COc1ccccc1N1CCN(CCN2CCC(OC(C)C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.92995745
39150,COc1ccccc1N1CCN(CCN2CCC(c3nc4ccccc4nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80055815
39151,COc1ccccc1N1CCN(CCN2CCC(n3cncc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8340359
39152,COc1ccccc1N1CCN(CCNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.8286957
39153,COc1ccccc1N1CCNC1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.616912
39154,COc1ccn(Cc2cccc(CN3CCN(CCCCl)CC3)c2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5525034
39155,CSc1cccc(CN2CCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.48706377
39156,Cc1cc(OCCC(N)=O)ccc1ONCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.024675902
39157,Cc1cc(OCCF)ccc1OC(=O)C1CCN(CCc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5507443
39158,Cc1cc(OCCF)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06776565
39159,Cc1cc(OCCN2CCC(Cc3ccccc3)CC2)ccc1ONS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.49634138
39160,Cc1cc(OCCN2CCN(Cc3ccc4c(c3)OCC(=O)N4)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.41242272
39161,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCC(Oc2ccc(C(C)C)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1859059
39162,Cc1cc2c(cc1O)C1Cc3cccc(OC(N)Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5787174
39163,Cc1cccc(CN2CCN(CCCc3cccc(N=S(C)(=O)O)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6170693
39164,ClCCCN1CCN(Cc2cccc(C3=CCc4ccccc4N3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.71296126
39165,FC(F)(F)CCCN1CCN(Cc2cccc(-c3nc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53984845
39166,O=C(NCCCCN1CCN(Cc2cccc(Cl)c2)CC1)C1c2ccccc2-c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6854527
39167,O=CC(=O)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5428436
39168,Oc1cc2c(cc1C=NOc1cccc(F)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68250674
39169,CC(=O)c1ccc(N2CCN(CCOc3ccc(ON)c(C)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5628365
39170,CC(C)c1ccccc1N1CCN(CCN2CCC(CN=CC3Nc4ccccc4C(=O)N3c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6036481
39171,CC1CCN(CCN2CCN(c3ccccc3-c3cnc(O)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69247586
39172,CC1c2ccccc2N1C(=O)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59212595
39173,CCCCN1CCN(Cc2cccc(C3Cc4ccccc4N3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5934267
39174,CCCOc1ccc(OCN2CCC(c3ccccc3)CC2)c(SC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.55336684
39175,CCCOc1ccc(ON2CCC(CC(=O)c3ccc(F)cc3)CC2)c(OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2852129
39176,CCCOc1ccc(OOC)c(NC(=O)Cc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0060791313
39177,CCOc1cc2c(cc1-c1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6681155
39178,CCOc1ccccc1CCCOc1ccc(ON2CCCCC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26178354
39179,CNOc1ccc(OCCN2CCC(c3ccccc3OC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5695183
39180,COC1CCN(CCN2CCN(c3ccccc3-c3nc(O)cc4ccc(F)cc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7204524
39181,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccc(O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6901655
39182,COc1cc2c(cc1C)C1Cc3cccc(Cc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60877866
39183,COc1cc2c(cc1O)CCN1Cc3c(CN=Cc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7344284
39184,COc1cc2c(cc1OC(=O)NCc1ccccc1)CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.31709275
39185,COc1ccc(Cc2ccc(C(=O)NCCN3CCN(OC)CC3)cc2OC)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26337278
39186,COc1ccc(OCCCSCc2ccccc2F)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.084109105
39187,COc1ccc(OCCN2CCC(c3ccc(F)cc3)CC2)cc1[SH](C)(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6815555
39188,COc1ccc(OCCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.821627
39189,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1N1CC(C)CN(C)C1,[*]CCOc1ccc(O[*])c([*])c1,0.113001205
39190,COc1ccc(OCCS(C)(=O)=O)cc1CCCc1cccc2c1CCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.22314818
39191,COc1ccc2ccc(C(=O)Nc3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)cc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.40129885
39192,COc1cccc(CN2CCN(CCCC(=O)N=CC3Nc4ccccc4C(=O)N3c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48961246
39193,COc1cccc(CN2CCN(CCCCNC(=O)c3ccccc3OC)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56405854
39194,COc1cccc(CN2CCN(CCCN3CCc4cc(OC)ccc4C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7578335
39195,CSCCOc1ccc(ON2CCC(Cc3ccc4ccccc4c3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29082775
39196,CSOc1ccc(OCCN2CCCC(COc3ccc4c(c3)NC(=O)CC4)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.4285425
39197,Cc1cc(OCCC=Cc2ccco2)ccc1ON=C[SH](C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.06428914
39198,Cc1cc(OCCCOc2ccc(F)cc2)ccc1OCNCC1CCS(=O)(=O)N1,[*]CCOc1ccc(O[*])c([*])c1,0.15719618
39199,Cc1cc(OCCN2CCC(Oc3ccc(CC4CCCC4)cc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.46657988
39200,Cc1cc(OCCNS(=O)Cc2ccc(C(C)C)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.08329438
39201,Cc1cc2c(cc1-c1cccs1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6805355
39202,Cc1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5762709
39203,Cc1ccccc1-c1cc(C(=O)NCCN2CCN(OS(C)(=O)=O)CC2)ccc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27537262
39204,Cc1ccccc1N1CCN(CCN2CCC(c3cc4ccccc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66126585
39205,Clc1cccc(CN2CCN(CCCCc3cc(C4CCCC4)co3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.76078176
39206,Fc1cccc(CN2CCN(CCCCCc3ccc(F)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64376897
39207,N#Cc1cccc(Cc2cccc3c2CN2CCc4cc(OCc5ccccc5)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55219316
39208,NCc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68977845
39209,O=C(NCc1cccc(CN2CCN(CCCF)CC2)c1)C1Cc2ccccc2C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6424097
39210,O=C(NCc1ccccc1)Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36358565
39211,O=C1CCc2c(cccc2Oc2cccc(CN3CCN(CCCF)CC3)c2)N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64763904
39212,O=C1Cc2ccccc2C(=O)N1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7551298
39213,Oc1cc2c(cc1-c1cc3ccccc3s1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71690214
39214,Oc1cc2c(cc1-c1ccc(Oc3ccccc3)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7379726
39215,Oc1cc2c(cc1CNOc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62426376
39216,Oc1ccc2c(c1)CCCC2c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8028902
39217,CC(C)(C)c1ccccc1N1CCN(CCN2CCC(C(=O)Nc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5445611
39218,CC(C)Oc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87885475
39219,CC1CC(=O)N(c2cccc(CN3CCN(CCCF)CC3)c2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.692508
39220,CCC(=O)NCc1cccc(CN2CCN(CCCOC)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.30493873
39221,CCCOc1ccc(OF)c(CN(CC)C2CCc3ccc(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.60464436
39222,CCCOc1ccc(ONCCc2ccc(F)cc2F)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0809491
39223,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCOCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13068451
39224,CCCOc1ccc(OOC)c(CCNc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11413859
39225,CCOc1ccccc1N1CCN(CCN2CCC(c3cc(Cl)ccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7249029
39226,CCOc1ccccc1N1CCN(c2cc(OCCN=S(C)(=O)O)ccc2OF)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.16413958
39227,CNCCOc1ccc(OC)c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27012157
39228,COC(=O)c1cc(C(=O)NCCN2CCN(O)CC2)ccc1-c1ccccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32860717
39229,COC1CCN(CCN2CCN(c3ccccc3-c3cc(O)n(C)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7840934
39230,COCCCN1CCN(Cc2cccc(C(=O)NC3CCc4ccccc4C3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6324873
39231,COCCCN1CCN(Cc2cccc(C(=O)c3cccc(OC)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.47876814
39232,COCCCN1CCN(Cc2cccc(Cn3ccc(-c4ccccc4)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.563119
39233,CON1CCN(CCNC(=O)c2ccc(-c3cccc(C)c3)c(O)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30669942
39234,CON1CCN(CCNC(=O)c2ccc(Br)c(-c3cccc(C)c3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26938412
39235,COOc1ccc(OCCN2CCN(c3ccccn3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.7420718
39236,COOc1ccc(OCCNCCc2ccccn2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.20292537
39237,COc1c(CCCCN2CCN(Cc3cccc(F)c3)CC2)ccc2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.642323
39238,COc1cc2c(cc1-c1ccccc1CO)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64813846
39239,COc1cc2c(cc1O)CCN1Cc3c(CNCc4ccccc4OC)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5916093
39240,COc1cc2c(cc1OC)C1Cc3cccc(OCc4ccc(C(C)(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75524163
39241,COc1ccc(-c2cc3c(cc2OC)C2Cc4cccc(CO)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6917565
39242,COc1ccc(OCCN2CCC(NS(=O)(=O)c3cc(F)ccc3F)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6456506
39243,COc1ccc(OCCN2CCC(Oc3ccc(CC(F)(F)F)cc3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5278911
39244,COc1ccc(OCCN2CCC(c3ccccc3)CC2)cc1N1CCC(F)(S(=O)(=O)O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4929981
39245,COc1cccc(CN2CCN(CCCC3NS(=O)(=O)c4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5786548
39246,COc1ccccc1C(=O)c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.40667218
39247,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3cc4ccccc4nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78629255
39248,COc1ccccc1N1CCN(CCN2CCC(CF)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8845999
39249,COc1ccccc1N1CCN(CCN2CCC(Oc3ccc4cnc(O)cc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8133393
39250,Cc1cc(C(=O)NCCN2CCN(c3ccccc3Cl)CC2)ccc1[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.72920007
39251,Cc1cc(OCCF)ccc1ON1CCN(c2cccc(C(F)(F)F)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.37277249
39252,Cc1cc(OCCN2CCN(Cc3ccc(F)cc3)CC2)ccc1OS(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4658747
39253,Cc1cc(OCCN2c3ccccc3CCC2C)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2793108
39254,Cc1cc(OCCOC2CCN(Cc3ccc(F)cc3)CC2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.53078485
39255,Cc1cc(OCCOS(C)(=O)=O)ccc1ONC(=O)CCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.056022774
39256,Cc1cc(OCCc2cccn2Cc2ccccc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.043088093
39257,Cc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(OCc4ccccc4)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46591404
39258,Cc1ccccc1N1CCN(CCN2CCC(n3nc(O)cc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.63334715
39259,O=C1CCc2ccc(Cc3cccc(CN4CCN(CCCCl)CC4)c3)cc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7036987
39260,O=[N+]([O-])c1ccccc1N1CCN(CCN2CCC(c3nc(-c4ccccc4)cs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5686208
39261,Oc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75550437
39262,Oc1cccc2c1CN1CCc3cc(-c4cccc(OC(F)(F)F)c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5040593
39263,CC1(C)Cc2ccccc2N1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68394935
39264,CC1(Nc2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)CCCCC1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45770377
39265,CCCCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6870384
39266,CCCOc1ccc(ON2CCN(C)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.42404822
39267,CCCOc1ccc(OOC)c(NC(=O)COc2ccccc2C2CCCN2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08576615
39268,CCCOc1ccc(OOC)c(NC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03768225
39269,CCCOc1ccc(OS(C)(=O)=O)c(CCOc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3157682
39270,CCCOc1ccc(OSC)c(CCCc2ccc(OC)c3ccccc23)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14348172
39271,CCOc1ccccc1N1CCN(CCN2CCC(n3ccc(C#N)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8853623
39272,CCSc1cccc(OC2CCN(CCOc3ccc(OOS(C)(=O)=O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5867459
39273,CCc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7121158
39274,COC1CCN(CCN2CCN(c3ccccc3COC(=O)c3ccc4ccc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6196053
39275,COCCCN1CCN(Cc2cccc(-c3cc4ccc3CCc3ccccc3CC4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65510064
39276,COCCCN1CCN(Cc2cccc(CNC(=O)C(C)C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3875627
39277,COCCOc1ccc(OC)c(NC(=O)c2ccccc2C2CCCN2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14048341
39278,COCCOc1ccc(OCN2CCC(C(=O)c3ccc(F)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.41801798
39279,CON1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(-c3cccc(C)c3C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.23187351
39280,COOc1ccc(OCCNCC2CCc3ccccc3CCO2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.2479899
39281,COc1cc2c(cc1C(=O)NCc1cccc(O)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.474975
39282,COc1cc2c(cc1OC)C1Cc3cccc(C4=CC(C#N)=CC=C([O-])COC=C4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65337735
39283,COc1ccc(OCCC(F)CCc2ccc3c(c2)NC(=O)CC3)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1877646
39284,COc1ccc(OCCC(N)=O)cc1C(F)CCc1ccccn1,[*]CCOc1ccc(O[*])c([*])c1,0.044517525
39285,COc1ccc(OCCCC2CCc3ccccc3C2=O)cc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.2720742
39286,COc1ccc(OCCCNC(=O)C=Cc2ccc(F)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.062745996
39287,COc1ccc(OCCN2CCC(C(F)F)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5807989
39288,COc1ccc(OCCN2CCC(Oc3ccc(F)cc3)CC2)cc1[SH]=O,[*]CCOc1ccc(O[*])c([*])c1,0.6384464
39289,COc1ccc(OCCN=S(C)(=O)O)cc1CCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.054036073
39290,COc1ccc(OCCS(=O)(=O)c2ccccc2C(C)C)cc1C1NCCN1,[*]CCOc1ccc(O[*])c([*])c1,0.23949133
39291,COc1cccc2c1CN1CCc3cc(C)c(-c4ccc(C)cc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6383674
39292,COc1ccccc1Cc1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8282051
39293,COc1ccccc1N1CCN(CCN2CCC(Nc3cccnn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8525356
39294,COc1ccccc1N1CCN(CCN2CCC(c3cc(F)cc4ncoc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8652795
39295,COc1ccccc1N1CCN(CCN2CCC(c3cccc(C)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.819448
39296,COc1ccccc1N1CCN(CCOc2ccc(ON(C)S(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.724061
39297,CS(=O)(=O)NCCOc1ccc(OF)c(C(=O)COc2ccc(C(F)(F)F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.050891567
39298,CSOc1ccc(OCCN2CCC(COc3ccc4c(c3)C(=O)NCC4)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5700703
39299,Cc1cc(OCCNCCc2ccc3c(c2)NC(=O)CC3)ccc1OS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.14588092
39300,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc4cccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67870766
39301,ClCCCN1CCN(Cc2cccc(Cc3ccc4occc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6545457
39302,NS(=O)(=O)Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61729866
39303,O=C(NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)c1ccnc(O)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8614303
39304,O=S1(=O)c2ccccc2-c2c(CCCN3CCN(Cc4cccc(Cl)c4)CC3)cccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60621357
39305,O=c1ccc(Cl)cn1-c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6337586
39306,OCCC1CCN(CCN2CCN(c3ccccc3NCC3CCc4ccc(O)cc4O3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5365776
39307,OCc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5153417
39308,Oc1cc2c(cc1C=NCc1ccccc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5989317
39309,Oc1cc2ccccc2cc1-c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69832397
39310,CCCOc1ccc(OF)c(N2CCN(C(=O)c3cccc(C(C)=O)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06218403
39311,CCCOc1ccc(OS(C)(=O)=O)c(CN2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6918958
39312,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Oc3ccc(CC(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27290273
39313,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(c3ccc(OCC(F)(F)F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21508338
39314,CCCOc1ccc(Oc2cc(NC(C)=O)ccc2F)c(NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.020790165
39315,CCCOc1ccc(Oc2ccc(F)cc2)c(CN2CCC(O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5849031
39316,CCOc1ccccc1N1CCCN(Cc2cc(OCCOC)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.77962124
39317,CNCCOc1ccc(OC)c(CN2CCC(c3ccccc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.518838
39318,COC1CCN(CCN2CCN(c3ccccc3-n3cc4cccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8189275
39319,COCC1CCCc2ccc(C(=O)Nc3cc(OCCS(C)(=O)=O)ccc3OC)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.13015379
39320,COOc1ccc(OCCSCCCc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.21483655
39321,COc1cc2c(cc1OC)C1Cc3cccc(CCOc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74569225
39322,COc1cc2c(cc1OCc1cccc(Cl)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6917079
39323,COc1ccc(OCCCS(C)(=O)=O)cc1N1CCC(c2ccc(CC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27269655
39324,COc1ccc(OCCCl)cc1CNc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.10366533
39325,COc1ccc(OCCN2CCC(Cc3ccc(OC4CCNC(=O)C4)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.52995217
39326,COc1ccc(OCCN2CCN(c3ccccc3F)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.738634
39327,COc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1OC1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.048597787
39328,COc1ccc(OCCNC(=O)c2cccc(C3CCCCC3)c2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.043242376
39329,COc1ccc(OCCS(C)=O)cc1N1CCC(Oc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31937635
39330,COc1ccc2c(c1)C(c1ccccc1N1CCN(CCN3CCC(OC)CC3)CC1)CCC2,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.800772
39331,COc1cccc(-c2cc3c(cc2O)CCN2Cc4c(cccc4OC)CC32)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66889954
39332,COc1cccc(CN2CCN(CCCCCN3C(=O)c4ccccc4S3(=O)=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6961836
39333,COc1cccc(CN2CCN(CCCCNC(=O)c3cc4ccccc4oc3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62027586
39334,COc1cccc(CN2CCN(CCCc3cc(-c4ccccc4)cc(=O)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60523623
39335,COc1cccc2c1CN1CCc3cc(C#Cc4ccccc4)c(C=O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6834174
39336,COc1cccc2c1CN1CCc3cc(COCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.711253
39337,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cc4ccccc4[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8864052
39338,COc1ccccc1N1CCN(CCN2CCC(NC(C)=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.90518206
39339,COc1ccccc1N1CCN(CCN2CCC(c3cc(Br)cnn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87884474
39340,COc1ccccc1N1CCN(CCN2CCC(c3ccn(O)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73293126
39341,COc1ccccc1N1CCN(CCN2CCC(c3nccc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8444407
39342,COc1ccccc1N1CCN(CCN2CCC(c3nccn3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87885565
39343,Cc1cc(OCCC#N)ccc1OCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.73341376
39344,Cc1cc(OCCN2CCN(Cc3cc4ccccc4o3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.49119908
39345,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(Cc2ccc3c(c2)NC(=O)CCS3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2409275
39346,Cc1cc2c(cc1Cl)C1Cc3cccc(OCc4cccnc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55994433
39347,Cc1cccc2c1CN1CCc3cc(O)c(OCc4ccc(N(C)C)cc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56489754
39348,Cc1ccccc1CC1CCN(Oc2ccc(OCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.35352942
39349,Cc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6430937
39350,Cc1ccccc1N1CCN(CCN2CCC(CNC(=O)N(C)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6870753
39351,Cc1ccccc1N1CCN(CCN2CCC(Nc3cccc(O)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72109777
39352,ClCCCN1CCN(Cc2cccc(Nc3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54907876
39353,Fc1ccc(-c2ccc(-c3ccccc3N3CCN(CCN4CCC(c5ccccc5)CC4)CC3)nc2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75112724
39354,Fc1ccccc1N1CCN(CCN2CCC(c3nc(-c4ccccc4)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6770633
39355,O=C(Nc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2)c1cc2ccccc2[nH]1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32965115
39356,O=C(Nc1ccccc1)C1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5787281
39357,O=S1(=O)c2ccccc2N(c2cccc(CN3CCN(CCCCl)CC3)c2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6568691
39358,CC(=O)OOc1ccc(OCCNCCc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.10758186
39359,CC(C)Oc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68559796
39360,CCC(=O)c1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5465907
39361,CCCCN1CCN(Cc2cccc(-c3nccs3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56113946
39362,CCCOc1ccc(OC)c(CCNC(=O)c2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.029102758
39363,CCCOc1ccc(OC=S(C)O)c(CCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.096392274
39364,CCCOc1ccc(OCS(N)(=O)=O)c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21065989
39365,CCCOc1ccc(ON2CCC(Oc3ccc(F)cc3)CC2)c(S(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3561224
39366,CCCOc1ccc(ONC)c(N2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29362613
39367,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3ccccc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22974956
39368,CCCOc1ccc(Oc2ccc(F)cc2)c(CNCC2CCc3ccc(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.53974634
39369,CCOc1cc2c(cc1O)C1Cc3cccc(C=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6274784
39370,CCOc1cc2c(cc1OC)CCN1Cc3c(CO)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6677221
39371,CNc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5161972
39372,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(Br)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7565503
39373,COc1cc2c(cc1Cc1ccncc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7279383
39374,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc(F)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66446227
39375,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCC3CC3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79934037
39376,COc1ccc(OCCCN2CCC(c3ccc(F)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.86372167
39377,COc1ccc(OCCF)cc1CN1CCC(c2ccccc2SC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.679616
39378,COc1ccc(OCCF)cc1CN1CCN(C(C=O)C=Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.35139376
39379,COc1ccc(OCCN2CCC(Cc3ccccc3)C2)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5076618
39380,COc1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1C(=O)NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.57565767
39381,COc1ccc(OCCNS(=O)Cc2ccc(C(C)C)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.11138223
39382,COc1ccc(OCCSC)cc1NCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.090031296
39383,COc1cccc(C#Cc2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67438465
39384,COc1cccc(CN2CCN(CCCC3=CC(=O)C=C3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5308298
39385,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(OC)CC2)cc1O[SH](C)(=O)O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35793233
39386,COc1ccccc1N1CCN(CCN2CCC(c3cc(O)cc4nc(O)ccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7359972
39387,CS(=O)(O)=NOc1ccc(OCCF)cc1CN1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.35689548
39388,CSOc1ccc(OCCNC(=O)Cc2ccc3c(c2)CC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.057779413
39389,Cc1cc(OCCCC(=O)Cc2ccc3c(c2)NC(=O)CC3=O)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.07030073
39390,Cc1cc(OCCF)ccc1ON1CCC(C(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.17784485
39391,Cc1cc(OCCF)ccc1ONC(=O)Sc1cccc(C(=O)N2CCCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.052306328
39392,Cc1cc(OCCF)ccc1ONC=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.059077594
39393,Cc1cc(OCCN2CCC(C3CCc4ccccc4C3=O)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6847992
39394,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCCC(Cc2c(F)ccc3c2NC(=O)CC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.3222961
39395,Cc1cc(OCCNS(C)(=O)=O)ccc1ONCCc1ccc(C(F)(F)F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.066282056
39396,Cc1cc(OCCS(C)(=O)=O)ccc1ONCC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.27687576
39397,Fc1ccc(-c2ccc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)nc2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7619208
39398,Fc1ccc(-c2ccc(C3CCN(CCN4CCN(c5ccccc5F)CC4)CC3)nc2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69810987
39399,N#CC1CCN(CCN2CCN(c3ccccc3-n3cnc4ccccc4c3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6911884
39400,O=C1c2cc(F)ccc2CC1c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8188432
39401,O=C1c2ccccc2CCN1c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7873516
39402,Oc1cc(C(O)c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c2ccccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7141528
39403,Oc1ccc(C2CCN(CCN3CCN(c4ccccc4OCCF)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83497256
39404,C#CC1CCN(CCN2CCN(c3ccccc3-c3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.86389244
39405,C=S(O)(O)=NCCOc1ccc(OC)c(N2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36110553
39406,CC(=O)NC1CCN(CCOc2ccc(OS(N)(=O)=O)c(C)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.38878506
39407,CCC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7050405
39408,CCCCN1CCN(Cc2cccc(CNC(=O)c3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.45545083
39409,CCCOc1ccc(OCl)c(C(=O)COc2cccc(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.073384106
39410,CCCOc1ccc(OF)c(CNC(=O)c2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.02816258
39411,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(Cc3ccc(OC4CCCC4=O)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1387117
39412,CCCOc1ccc(OS(C)(=O)=O)c(NCC(=O)N2c3ccccc3CCC2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.109553605
39413,CCCOc1ccc(OS(N)(=O)=O)c(NCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07907911
39414,COC(=O)N1CC(c2cccc(CN3CCN(CCCCl)CC3)c2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.469562
39415,COC(=O)Oc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39936113
39416,COCCCN1CCN(Cc2cccc(N3C(=O)Cc4ccccc4S3(=O)=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62465525
39417,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccc(Cl)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30518693
39418,COc1cc2c(cc1C(=O)NCc1ccc(C#N)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46838793
39419,COc1cc2c(cc1O)CCN1Cc3c(cccc3Oc3cccc(C)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68308145
39420,COc1cc2c(cc1OC)C1Cc3cccc([N+](C)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7049264
39421,COc1ccc(C)c(C(=O)NOc2ccc(OCCF)cc2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.029443745
39422,COc1ccc(OC)c(C(O)c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7735108
39423,COc1ccc(OCCC(N)=O)cc1CCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.1813885
39424,COc1ccc(OCCCc2cccc(F)c2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.106597565
39425,COc1ccc(OCCN(C)C)cc1N1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.3616069
39426,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCC4)C2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5662379
39427,COc1ccc(OCCN2CCCC(c3cccc(C(C)=O)c3)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.39842898
39428,COc1ccc(OCCN2CCN(C)CC2)cc1S(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.32883984
39429,COc1ccc(OCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)cc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.8970808
39430,COc1ccc(OCCNCCCc2ccccc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.309025
39431,COc1ccc(OCCNS(C)(=O)=O)cc1CC1CCCC(Cc2ccc3c(c2)NC(=O)CC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.24588467
39432,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCCC(c2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.28233424
39433,COc1ccc(OCCS(C)(=O)=O)cc1CCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.12557398
39434,COc1ccc(OCCc2ccc(SC)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.082467
39435,COc1cccc(CN2CCN(CCCC(=O)N3c4ccccc4CC3(C)C)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6682871
39436,COc1cccc(CN2CCN(CCCC(=O)Nc3ccc4ccccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.25508824
39437,COc1ccccc1N1CCN(CCCOc2ccc(OC(C)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.875208
39438,CSOc1ccc(OCCN2CCC(Cc3cccc(NC(C)=O)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.30536312
39439,Cc1cc(C(=O)NCCN2CCN(c3ccccc3)CC2)ccc1S(=O)(=O)O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.63065255
39440,Cc1cc(OCCN2CCC(Oc3ccc(CC4CCCC4)cc3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.55180347
39441,Cc1cc(OCCN2CCCC(COc3cccc4c3CCC(=O)N4)C2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.35351148
39442,O=C(NCc1cccc(CN2CCN(CCCOC(F)(F)F)CC2)c1)C1CCCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49420947
39443,O=C1CCc2ccccc2N1c1ccccc1N1CCN(CCN2CCC(O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6925054
39444,O=S1(=O)c2ccccc2-c2ccccc2N1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65076196
39445,O=[N+]([O-])C1CCN(CCN2CCN(c3ccccc3N3C(O)=Nc4ccc3cc4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.555879
39446,Oc1cc(-c2ccccc2)cn1-c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6456519
39447,Oc1cc2c(cc1OCc1cccc3ccccc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7169881
39448,Oc1cc2ccccc2n1-c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64983773
39449,Oc1cccc2c1CN1CCc3cc(Cn4cccc4O)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6586319
39450,CC(=COc1ccc(OCCNS(C)(=O)=O)cc1C)Cc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.12194099
39451,CC(C)Oc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3ccccc3C#N)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74805117
39452,CCCC1CCCN(CCOc2ccc(OC)c(CS(C)(=O)=O)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.457828
39453,CCCOC(=O)Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4099867
39454,CCCOc1ccc(OC(F)CCc2ccco2)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6607191
39455,CCCOc1ccc(OCCCc2ccc3c(c2)CCCC3)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29456788
39456,CCCOc1ccc(OCSCC)c(N2CCN(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7088542
39457,CCCOc1ccc(OF)c(CNCC2CCc3ccc(OC)cc3O2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5457297
39458,CCCc1ccccc1N1CCN(COc2ccc(OCCOC)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.63038635
39459,CCOc1ccccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.36069405
39460,CCc1ccc(CS(=O)(=O)NCCOc2ccc(ON)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.09618518
39461,CCc1ccccc1N1CCN(CCN2CCC(c3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71441764
39462,CNOc1ccc(OCCN2CCN(c3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5492688
39463,COC1CCN(CCN2CCN(c3ccccc3-n3cc(C)nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6558524
39464,COCCCN1CCN(Cc2cccc(N3C(=O)c4cccc5cccc(c45)C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5201697
39465,COCCCN1CCN(Cc2cccc(N3c4cccc5cccc(c45)S3(=O)=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5274101
39466,COCCOc1ccc(OC)c(CN2C(=O)CCc3ccc(F)cc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23054825
39467,COc1cc2c(cc1C(=O)OCc1ccc([N+](=O)[O-])cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.29936567
39468,COc1cc2c(cc1Cc1ccc[nH]1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.81940633
39469,COc1cc2c(cc1O)CCN1Cc3c(C=CO)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8429688
39470,COc1cc2c(cc1OC)C1Cc3cccc(O[SH](C)(=O)c4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6663547
39471,COc1cc2c(cc1SC)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69145495
39472,COc1ccc(OCCCCc2ccc(F)cc2)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7961615
39473,COc1ccc(OCCN2CCC(c3ccc(F)cc3)C2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.6967045
39474,COc1ccc(OCCNC(=O)c2ccc(SC)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.027383555
39475,COc1ccc(OCCNS(C)(=O)=O)cc1Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.09166933
39476,COc1ccc(OCCNS(C)(=O)=O)cc1NCCc1cccc2c1NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.15719815
39477,COc1ccc(OCCS(N)(=O)=O)cc1C1CCCC(Cc2ccc(OC3CCCCN3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.16933137
39478,COc1cccc(CN2CCN(CCCC3=CC(=O)C(=O)O3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6134063
39479,COc1cccc2c1CN1CCc3cc(N=S(=O)(O)O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.686111
39480,COc1ccccc1C1CC1c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78298604
39481,COc1ccccc1N1CCN(CCN2CCC(Cc3cnc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8588583
39482,COc1ccccc1N1CCN(CCN2CCC(c3cn4cc(C)ccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76615936
39483,CSc1ccccc1N1CCN(CCN2CCC(c3ccc(C(F)(F)F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7946872
39484,CSc1ccccc1OCC(=O)NCCOc1ccc(OS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.020540623
39485,Cc1cc(OCCCNS(C)(=O)=O)ccc1ONCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.08216025
39486,Cc1cc(OCCF)ccc1OCN1CCN(C(=O)OC(C)(C)C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.094014436
39487,Cc1cc(OCCNC(=O)CCc2ccc3c(c2)NC(=O)CC3)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.04190654
39488,Cc1cc(OCCNC(=O)CCc2ccc3c(c2)OCC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06832332
39489,FCCCN1CCN(Cc2cccc(-c3nc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6334788
39490,Fc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68964785
39491,N#Cc1cccc(Cc2cccc3c2CN2CCc4cc(O)c(OCc5ccccc5)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5898086
39492,O=C(Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)c1c[nH]c2ccccc12,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36409473
39493,O=C(Nc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1)OCc1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.2975694
39494,Oc1c(-c2ccccc2)ccn1C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8620157
39495,Oc1cccc2c1CN1CCc3cc(-c4cnc[nH]4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58242273
39496,CC1CCN(CCN2CCN(c3ccccc3C3CC(=O)c4ccc(O)cc4C3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7221859
39497,CCCN1CCCCC1C(=O)NCc1cc(OCCF)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.1761903
39498,CCCOc1ccc(ON)c(CCNC(=O)c2ccccc2NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.015553635
39499,CCCOc1ccc(ON)c(N2CCCC(C(=O)c3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19806285
39500,CCCOc1ccc(ONC(=O)Cc2ccccc2)c(C=NOC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.027634947
39501,CCCOc1ccc(OS(=O)(=O)NC(C)=O)c(N2CCC(Cc3ccc(OC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16389805
39502,CCCOc1ccc(OSC)c(N2CCN(c3ccc(CCF)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34927776
39503,CCCS(=O)(=O)Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48426855
39504,CCc1ccc(COc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66993415
39505,CN(C(=O)Nc1c(Cl)cccc1Cl)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52234864
39506,COC1CCN(CCN2CCN(c3ccccc3-c3ccc4ccnn4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7808705
39507,COC1CCN(CCN2CCN(c3ccccc3OCc3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9300016
39508,COCCCN1CCN(Cc2cccc(CNCc3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5886449
39509,COCCOc1ccc(OC2CCN(c3ccccc3OC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4025629
39510,COOc1ccc(OCCF)cc1CN1CCN(C(=O)c2ccc(CCF)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.09689712
39511,COc1cc2c(cc1Oc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75863767
39512,COc1ccc(CC2CCN(CCc3cc(OCCF)ccc3ON=S(C)(=O)O)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.5440409
39513,COc1ccc(CNCCOc2ccc(OS(=O)(=O)N(C)C)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.16943738
39514,COc1ccc(OCCCCSc2ccc(F)cc2)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.66140205
39515,COc1ccc(OCCF)cc1CN1CCN(C=O)CC1c1ccc(SC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.3149482
39516,COc1ccc(OCCN2CCC(O)(c3ccc(Cl)cc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.45867226
39517,COc1ccc(OCCN2CCC(Oc3ccc4ccc(F)cc4c3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.58713084
39518,COc1ccc(OCCNS(C)(=O)=O)cc1C1CCC(=O)Nc2cc(CCC3CCCCC3)ccc21,[*]CCOc1ccc(O[*])c([*])c1,0.14138557
39519,COc1ccc(OCCS(=O)(=O)[O-])cc1N1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.22622629
39520,COc1ccc(OCCS(N)(=O)=O)cc1NCC1CCc2cc(OC)c(OC)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.33606535
39521,COc1ccc(OCCSC)cc1N1CCN(c2ccccc2OCC(F)(F)F)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.36267316
39522,COc1cccc(-c2cccc(CN3CCN(CCCCl)CC3)c2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6235854
39523,COc1cccc(-c2nc(O)ccc2-c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7130376
39524,COc1cccc(CN2CCN(CCCC3NCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70937455
39525,COc1cccc(CN2CCN(CCCCc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.77332705
39526,COc1cccc2c1CN1CCc3cc(C)c(Cc4cccc(C)c4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62174857
39527,COc1cccc2c1CN1CCc3cc(CNC(=O)OCCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47775838
39528,COc1ccccc1-c1cc(C(=O)NCCN2CCN(OC(C)=O)CC2)ccc1F,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.37961408
39529,CS(=O)(=O)c1cccc(CN2CCN(CCCCc3ccc4ccccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6253427
39530,CSc1cccc(C(=O)NCCOc2ccc(ON3CCCCC3)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.057604585
39531,Cc1cc(OCCC(O)COc2ccc3ccccc3c2)ccc1ON(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.05781912
39532,Cc1cc(OCCN2CCN(c3cc(SC=O)ccc3F)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5219259
39533,Cc1cc(OCCNC2CCc3ccccc3C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.37930375
39534,Cc1ccccc1N1CCN(CCN2CCC(Oc3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71758413
39535,Cc1ccccc1N1CCN(CCN2CCC(Oc3ccc4nc(O)ccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6086172
39536,O=C(NCCCCN1CCN(Cc2cccc(Cl)c2)CC1)C1(c2ccccc2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66731286
39537,O=C1Nc2ccccc2CC1c1cccc(CN2CCN(CCCO)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59767056
39538,O=c1c2ccc(F)cc2n(CCCN2CCN(Cc3cccc(F)c3)CC2)c(=O)n1-c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5611284
39539,C=Cc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.677842
39540,CC(=O)NOc1ccc(OCCN2CCC(c3ccc(OC4CCNC4)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.45826495
39541,CCC(=O)Nc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32124236
39542,CCCCc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.80069834
39543,CCCOc1ccc(OCF)c(CN2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8577096
39544,CCCOc1ccc(ONC(C)=O)c(N2CCN(c3ccc(C)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10536712
39545,CCCOc1ccc(ONS(C)(=O)=O)c(NCCc2ccc(C(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.054675553
39546,CCCOc1ccc(OS(C)(=O)=O)c(CCN2CCc3ccc(OC)cc3CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6660926
39547,CCCOc1ccc(OS(C)(=O)=O)c(NCC2CCc3cc(CC4CCCCC4)c(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3403017
39548,CCS(=O)(=O)Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49652004
39549,CN(C)c1ccc(COc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7181362
39550,CN=S(=O)(O)CCOc1ccc(OC)c(CCNc2ccccn2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07021248
39551,CNC(=O)Nc1cc2c(cc1Cl)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3605528
39552,COCCOc1ccc(OC)c(N2CCCN(c3cccc(Cl)c3Cl)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.43356928
39553,COOc1ccc(OCCN2CCN(c3ccccc3OCCF)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.7708189
39554,COc1cc2c(cc1CNC(=O)c1ccc3[nH]ccc3c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46753523
39555,COc1cc2c(cc1Cl)CCN1Cc3c(C#N)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7263861
39556,COc1cc2c(cc1O)CCN1Cc3c(COCc4ccc(C#N)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7634712
39557,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc(CNC5CCC5)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52021694
39558,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3ccc(C(C)C)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64974403
39559,COc1ccc(C(=O)NCCN2CCN(c3ccccc3)CC2)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.6711196
39560,COc1ccc(COc2cccc3c2CN2CCc4cc(O)c(C)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5850941
39561,COc1ccc(OCCCN2CCc3ccccc3C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.60378945
39562,COc1ccc(OCCN)cc1CN1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.63369817
39563,COc1ccc(OCCN2CCN(c3cccc(C(F)(F)F)c3)CC2C)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.43956983
39564,COc1ccc(OCCN=CO)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.057690416
39565,COc1ccc(OCCN=S(C)(=O)O)cc1CC1CCCC(c2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.11488935
39566,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1NS(=O)(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.015047535
39567,COc1ccc(OCCOS(C)(=O)=O)cc1NCC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.31462535
39568,COc1ccc(OCCS(=O)(=O)c2ccc(C(C)=O)s2)cc1N1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.08863678
39569,COc1cccc(CN2CCN(CCCCC3(O)CCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6991113
39570,COc1cccc2c1CN1CCc3cc(C(=O)NCC(C)=O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51905066
39571,COc1ccccc1Cc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1C(C)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30878147
39572,CSOc1ccc(OCCC(O)CCc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.13815837
39573,Cc1cc(OCCCS(C)(=O)=O)ccc1ONC(=O)COc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.025467884
39574,Cc1cc(OCCN2CCC(Cc3ccccc3)CC2)ccc1O[SH](C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5270838
39575,Cc1cc(OCCN2CCN(c3ccccc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5703138
39576,Cc1cc(OCCNCc2ccc(Cl)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.14932673
39577,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(Cc2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21523048
39578,Cc1ccccc1N1CCN(CCN2CCC(c3cn(Cc4ccccc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6062968
39579,Fc1ccc(Oc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.883633
39580,N#Cc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6802715
39581,O=C(Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2)c1cccc(Cl)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.29821125
39582,O=S1(=O)CN(Cc2cccc(CN3CCN(CCCCl)CC3)c2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6606759
39583,OCC=Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6729771
39584,OCc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(CO)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7140157
39585,Oc1cc(-c2ccccc2)c(O)n1C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8484895
39586,CC(C)c1ccccc1N1CCN(CCN2CCC(Nc3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7239806
39587,CC1CCN(CCN2CCN(c3ccccc3-c3ccc(Cl)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7629008
39588,CCCOc1ccc(OC)c(CN2C=CC=C(S(C)(=O)=O)[SH](=O)=CN(C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21050963
39589,CCCOc1ccc(OCCC2CCc3ccc(F)cc3C2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5379475
39590,CCCOc1ccc(ON2CCN(c3ccc(OC)cc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2830959
39591,CCCOc1ccc(ONCCCc2ccccc2)c(SC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1548214
39592,CCCOc1ccc(OOC(C)=O)c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18419993
39593,CCCOc1ccc(OS(C)(=O)=O)c(C(O)COc2ccc3c(c2)CC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18238159
39594,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC2COc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37968844
39595,CCCOc1ccc(OS(C)(=O)=O)c(N2CCN(c3ccccc3OCC(C)C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30898345
39596,CCCOc1ccc(OS(N)(=O)=O)c(NC(=O)COc2ccc(CC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.008165688
39597,CCCOc1ccc(OS(N)(=O)=O)c(NCC2CCc3ccc(C(C)=O)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22449805
39598,CCCOc1ccc(OSC)c(N2CCN(c3cc(F)ccc3F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3711924
39599,CCCOc1ccc(OSC)c(NCCC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03159563
39600,CCCc1ccn(CCCOc2ccc(ON3CCN(c4ccccc4OC)CC3)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2843687
39601,CCNCc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69998354
39602,CCOc1cc2c(cc1OC)CCN1Cc3c(cccc3-c3ccc(OCc4ccccc4)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5513962
39603,CCOc1ccccc1C1CCCN(Oc2ccc(OCCNS(C)(=O)=O)cc2C)C1,[*]CCOc1ccc(O[*])c([*])c1,0.26872686
39604,CCOc1ccccc1N1CCN(CCN2CCC(n3c(O)nc4ccc(F)cc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77339864
39605,COC1CCN(CCN2CCN(c3ccccc3COc3ccc(-c4ncco4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6734154
39606,COCCCN1CCN(Cc2cccc(-c3coc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6059785
39607,COCc1cc2c(cc1OC)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7562235
39608,COc1cc2c(cc1-c1ccc(CO)cc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62646294
39609,COc1cc2c(cc1O)C1Cc3cccc(-c4cc(C)c5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64176184
39610,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(cccc3C(=O)OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46975738
39611,COc1ccc(Br)cc1C(=O)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46654868
39612,COc1ccc(C2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9024442
39613,COc1ccc(OCCC2CCc3ccccc3C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3385197
39614,COc1ccc(OCCN2CCCN(c3ccccc3OCC(F)(F)F)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.84580487
39615,COc1ccc(OCCN2CCN(c3ccc(Cl)cc3)CC2C)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.4285924
39616,COc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.025326636
39617,COc1ccc(OCCOC2CCNCC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.15511875
39618,COc1ccc(OCCS(C)(=O)=O)cc1CCNc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.07630365
39619,COc1ccc(OCCSC)cc1CCOc1ccccc1C,[*]CCOc1ccc(O[*])c([*])c1,0.12267042
39620,COc1ccccc1CNCc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6283588
39621,COc1ccccc1N1CCN(CCN2CCC(c3cc[nH]n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8441505
39622,COc1cccn1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.740393
39623,CS(=O)(=O)OCCOc1ccc(ON2CCC(Cc3ccc(F)cc3)CC2)c(C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25974712
39624,CSOc1ccc(OCCN2CCC(NS(=O)(=O)c3cccc(C(C)=O)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5206629
39625,CSOc1ccc(OCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.7865999
39626,Cc1cc(OCCN2CCC(c3ccc(F)cc3)CC2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.69828415
39627,Cc1cc(OCCN2CCN(Cc3cnco3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.33916867
39628,Cc1cc(OCCNCc2ccc(F)cc2)ccc1ON=S(=O)(O)O,[*]CCOc1ccc(O[*])c([*])c1,0.11928434
39629,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCC(CCc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.30778256
39630,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(S)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6011319
39631,Cc1ccccc1OC1CCC(C)N(CCOc2ccc(OS(C)(=O)=O)c(C)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.19310461
39632,Clc1cccc(CN2CCN(CCCCc3cc(-c4ccccc4)no3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7832328
39633,Oc1cc2cc(F)ccc2n1C1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7069937
39634,Brc1cccc(CN2CCN(CCCc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7573013
39635,CC(=O)c1ccc(SCC(=O)NOc2ccc(OCCF)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.010922817
39636,CC(C)c1ccccc1N1CCN(CCN2CCC(NC(=O)C#Cc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7328238
39637,CCCCCCOc1ccc(OCN2CCN(c3ccccc3OC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.65613526
39638,CCCCN1CCN(Cc2cccc(NC(=O)c3cc4ccccc4s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.29810932
39639,CCCNOc1ccc(OCCOS(C)(=O)=O)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.049992837
39640,CCCOc1ccc(OC(=O)NC)c(N2CCCC(c3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16846451
39641,CCCOc1ccc(OC)c(NS(=O)(=O)c2cc(C(N)=O)ccc2CC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.028311117
39642,CCCOc1ccc(OCOCCF)c(CCNc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11186452
39643,CCCOc1ccc(OC[N+](=O)[O-])c(N2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24786389
39644,CCCOc1ccc(ON2C=CN(C(C)=O)CC2)c(COc2ccccc2F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14040232
39645,CCCOc1ccc(ON=S(C)(=O)O)c(NC(=O)CCc2ccnc3ccccc23)c1,[*]CCOc1ccc(O[*])c([*])c1,0.008684983
39646,CCCOc1ccc(ONS(C)(=O)=O)c(NCC2CCc3ccccc3O2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38216576
39647,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3ccc(OC4CC4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2853299
39648,CCOc1ccccc1N1CCN(CCN2CCC(c3ccc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7687096
39649,CCOc1ccccc1N1CCN(CCN2CCC(c3ccn(C(C)=O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7588316
39650,COC(=O)c1cc(OCCCNC(=O)c2ccc3c(c2)CCCC3)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.11506887
39651,COC1CCN(CCN2CCN(c3ccccc3COc3ccc4ncc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.60553956
39652,COCCOc1ccc(OC)c(NCCC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.019010846
39653,CON1CCN(CCNC(=O)c2ccc(-c3ccccc3)c(O)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.41009364
39654,COc1cc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)ccc1SC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.8810604
39655,COc1cc2c(cc1N)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8743872
39656,COc1cc2c(cc1O)C1Cc3cccc(C#Cc4cccnc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77881616
39657,COc1cc2c(cc1O)C1Cc3cccc(C(C)O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7751637
39658,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(OC4CCC4)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7123896
39659,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3ccc4ccccc4c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6642234
39660,COc1cc2c(cc1O)CCN1Cc3c(cccc3[N+](=O)[O-])CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57343197
39661,COc1cc2c(cc1Oc1cccc([N+](=O)[O-])c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5081236
39662,COc1ccc(C(=O)NCCN2CCN(N)CC2)cc1-c1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3572387
39663,COc1ccc(NC(=O)c2cccc(CN3CCN(CCCF)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.28401688
39664,COc1ccc(OCCN)cc1CN1CCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8617675
39665,COc1ccc(OCCN2CCC(C(=O)c3cc(F)ccc3C)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5284843
39666,COc1ccc(OCCN2CCN(CCc3ccc(F)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4379771
39667,COc1ccc(OCCN=S(C)(=O)O)cc1CCc1ccc(C2CCNCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.1591639
39668,COc1ccc(OCCOS(C)(=O)=O)cc1CCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.08449501
39669,COc1ccc(OCCS(=O)(=O)Cc2ccc(C(C)C)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.050374784
39670,COc1cccc(-c2cccc(C3CCN(CCN4CCN(c5ccccc5C)CC4)CC3)n2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6014507
39671,COc1cccc(CN2CCN(CCCCNC(=O)C3Cc4ccccc4C3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6204522
39672,COc1ccccc1N1CCN(CCN2CCC(c3cc(O)nc4cc(O)ccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7359584
39673,CSOc1ccc(OCCC2CCN(Cc3ccc(F)cc3)CC2O)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.53581625
39674,CSc1cc(OCCN2CCCC2=O)ccc1OCSc1ccccc1C(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.14263986
39675,Cc1cc(OCCN2CCC(Cc3ccc(F)cc3)CC2)ccc1OOS,[*]CCOc1ccc(O[*])c([*])c1,0.6362484
39676,Cc1cc(OCCN2CCC(Cc3ccccc3)CC2)ccc1OF,[*]CCOc1ccc(O[*])c([*])c1,0.5539567
39677,Cc1cc(OCCN2CCN(Cc3ccccc3)CC2)ccc1OSO,[*]CCOc1ccc(O[*])c([*])c1,0.49492228
39678,Cc1cc(OCCS(C)(=O)=O)ccc1OCN1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.42502224
39679,FCCCN1CCN(Cc2cccc(-c3cc(-c4cccs4)co3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59470505
39680,O=C(NCc1cccc(Cl)c1)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39511275
39681,O=C1c2ccccc2C(=O)N1Cc1cccc(CN2CCN(CCCOCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57895803
39682,CC1CCN(CCN2CCN(c3ccccc3-c3cc4ccccc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7171437
39683,CCCN1CCC(Oc2ccc(OCCOC)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6695005
39684,CCCOc1ccc(OF)c(CC2CCN(C(C)=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09176732
39685,CCCOc1ccc(ON)c(CNC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.022779869
39686,CCCOc1ccc(ON2CCC(c3cc(F)ccc3NC(C)=O)CC2)c(NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15468189
39687,CCCOc1ccc(ON=S(C)(=O)O)c(CCOc2ccc(CCF)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05128223
39688,CCCOc1ccc(OSC)c(N2CCC(c3ccccn3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3348783
39689,CCOC(=O)Oc1ccc(OCCF)cc1CCN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6857635
39690,CCOc1ccccc1N1CCN(CCN2CCC(c3cccc(C(F)(F)F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69186246
39691,CCOc1ccccc1N1CCN(CCN2CCC(n3cccc(OC)c3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8024393
39692,CCc1cc2c(cc1Oc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.700798
39693,CNc1cc2c(cc1OC)C1Cc3cccc(Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56930816
39694,CNc1cccc(COc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58704424
39695,COCCOc1ccc(OC)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10265764
39696,CON1CCN(CCNC(=O)c2ccc(O)c(-c3ccc([N+](=O)[O-])cc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.18365563
39697,COc1cc2c(cc1Cc1cc(O)c3ccccc3c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71293604
39698,COc1cc2c(cc1Cc1cccnc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6964471
39699,COc1cc2c(cc1O)C1Cc3cccc(C(N)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64556146
39700,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc(Cl)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67840415
39701,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cccc(OCc4ccccc4)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5132241
39702,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)c3cccc4[nH]ccc34)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5942116
39703,COc1cc2c(cc1OC)C1Cc3cccc(OCc4ccc(CN(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71885836
39704,COc1ccc(NC(=O)c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5068053
39705,COc1ccc(OCCCS(C)(=O)=O)cc1N1CCC(Cc2ccc(SC)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2327201
39706,COc1ccc(OCCN2CCC(OC(C)=O)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.43493485
39707,COc1ccc(OCCS(N)(=O)=O)cc1CCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.073662326
39708,COc1cccc(CCC2CCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.63900554
39709,COc1cccc(Cc2cccc3c2CN2CCc4cc(CO)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6346625
39710,COc1cccc2c1CN1CCc3cc(-c4c[nH]c5ccccc45)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62585866
39711,COc1ccccc1-c1cc(C(=O)NCCN2CCN(CO[O-])CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29553148
39712,COc1ccccc1N1CCN(CCN2CCC(CCF)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.89155096
39713,COc1ccccc1N1CCN(COc2ccc(OCCNCc3ccsc3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.63039875
39714,CSc1cccc(CN2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61455667
39715,Cc1cc(OCCCN2CCN(c3ccccn3)CC2)ccc1OOCCF,[*]CCOc1ccc(O[*])c([*])c1,0.8763552
39716,Cc1cc(OCCF)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07703788
39717,Cc1cc(OCCN2CCC(Oc3ccc(-c4ccccc4)cc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.58649135
39718,Cc1cc(OCCN2CCCC(Cc3ccc4c(c3)CCC(=O)N4)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.46539426
39719,Cc1cc(OCCN2CCCC2Cc2ccco2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.4019426
39720,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(c2noc3cc(F)ccc23)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20539412
39721,Cc1cc(OCCNS(C)(=O)=O)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07731694
39722,Cc1cc(OCCOc2ccc(F)cc2)ccc1ON1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.41823864
39723,Cc1ccccc1N1CCN(CCN2CCC(c3nc(N)cs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6946619
39724,Clc1ccccc1N1CCN(CCN2CCC(c3csc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.795069
39725,FCCOCCCN1CCN(Cc2cccc(-c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7133987
39726,O=C(NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)c1ccsc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8658525
39727,O=C1CCN(c2ccc(-c3cc4c(cc3Cl)C3Cc5cccc(O)c5CN3CC4)cc2)CC1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47946572
39728,O=S(=O)(NCc1cccc(CN2CCN(CCCCl)CC2)c1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5218212
39729,CC(C)(C)OC(=O)NC1CCN(CCN2CCN(c3ccccc3C#N)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78189677
39730,CC1Cc2ccccc2N1c1cccc(CN2CCN(CCCO)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64095545
39731,CC1c2ccccc2CN1C(=O)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6361862
39732,CCCOc1ccc(ONCCc2ccc(F)cc2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08880804
39733,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(Oc3cc4ccccc4s3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31396288
39734,CCCOc1ccc(OOC)c(CNc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11847468
39735,CCCOc1ccc(OOS(=O)(=O)C(F)(F)F)c(NC(=O)COc2ccc(C)cc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0064966623
39736,CCCOc1ccc(OS(C)(=O)=O)c(C2CCC(CN3CCc4ccccc4C3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5314575
39737,CN(C)C(=O)Nc1cccc(-c2cccc(CN3CCN(CCCCl)CC3)c2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.33656368
39738,CN(Cc1cccc(CN2CCN(CCCF)CC2)c1)C(=O)c1cc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.50206256
39739,CN1C(=O)C(c2cccc(CN3CCN(CCCF)CC3)c2)Cc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70419633
39740,COC(=O)C1CCN(CCN2CCN(c3ccccc3Oc3ccc4c(c3)NC(=O)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76009107
39741,COC(=O)c1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1ccccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30976647
39742,COC1CCN(CCN2CCN(c3ccccc3-n3c(O)nc4ccc(O)cc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67709297
39743,COC1CCN(CCN2CCN(c3ccccc3-n3ccc(C(F)(F)F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8043262
39744,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccc(Br)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65732104
39745,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3cccc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79757154
39746,COCCCN1CCN(Cc2cccc(C=Cc3cccs3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.50914204
39747,CON=Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7228977
39748,COOc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC(=O)N4)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.45484617
39749,COc1cc2c(cc1-c1cccc3ncccc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6635244
39750,COc1cc2c(cc1C#Cc1ccccn1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.699144
39751,COc1cc2c(cc1C(=O)c1cccc(C#N)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45235613
39752,COc1cc2c(cc1C(C)(C)C)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6675958
39753,COc1cc2c(cc1CO)C1Cc3cccc(C#N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6824179
39754,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccc(Br)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7087032
39755,COc1ccc(OCCC(=O)CCc2ccccc2)cc1C(=O)Nc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.021287493
39756,COc1ccc(OCCCCCc2ccccc2)cc1S(=O)(=O)C1CCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.16855413
39757,COc1ccc(OCCN2CCC(Oc3ccccc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.7054228
39758,COc1ccc(OCCNCCc2cccc3nc(C(F)(F)F)ccc23)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08338456
39759,COc1ccc(OCCNS(C)(=O)=O)cc1OC1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.1798062
39760,COc1ccc(OCCOCc2ccccc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.15602589
39761,COc1ccc(OCCS(C)(=O)=O)cc1-c1ccc(OCC(C)C)cn1,[*]CCOc1ccc(O[*])c([*])c1,0.0676179
39762,COc1ccc(OCCS(C)(=O)=O)cc1N1C(=O)CCc2ccc(CC3CCCCC3)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.18394965
39763,COc1ccc(OCCc2ccc(C(C)=O)o2)cc1S(=O)(=O)C1CCCN(Cc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.20742694
39764,COc1cccc(CN2CCN(CCCCNc3ccc4ccccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4959645
39765,COc1cccc(COc2ccc(OCCCN3CCN(c4ccccc4OC)CC3)cc2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8752979
39766,COc1cccc(CSOc2ccc(OCCF)cc2C)c1NC=O,[*]CCOc1ccc(O[*])c([*])c1,0.09567235
39767,Cc1cc(C2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)no1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.63716334
39768,Cc1cc(OCCN2CCN(Cc3ccc(F)cc3)CC2)ccc1OS(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.35549548
39769,Cc1cc(OCCNC(=O)COc2ccc3c(c2)CCCC3)ccc1ONC=O,[*]CCOc1ccc(O[*])c([*])c1,0.023238234
39770,Cc1cc(OCCNC(=O)COc2ccc3c(c2)NC(=O)CC3)ccc1ON1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.060123123
39771,Cc1cc(OCCNC(=O)Cc2ccccc2)ccc1OCN1CCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.071919896
39772,Cc1ccc(C(=O)NCCN2CCN(c3ccccc3C)CC2)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.6962794
39773,N#Cc1ccc(C(=O)NC2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.86165744
39774,O=C(NCCCCN1CCN(Cc2cccc(Cl)c2)CC1)C1(c2ccccc2)CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59315807
39775,O=C1c2ccccc2C(=O)N1Cc1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61454356
39776,Oc1cc2c(cc1Cl)CCN1Cc3c(cccc3OC(F)(F)F)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.771946
39777,CC(=O)C(C)NC1CCC(CCCN2CCN(Cc3cccc(Cl)c3)CC2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.36345676
39778,CC(=O)N(CCCCN1CCN(Cc2cccc(Cl)c2)CC1)C1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5918543
39779,CCCOc1ccc(OCCOc2ccccc2CCF)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1632015
39780,CCCOc1ccc(OF)c(CNC(=O)c2c(NC)cccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.01833872
39781,CCCOc1ccc(ON2CCN(c3ccccc3CCC)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3499804
39782,CCCOc1ccc(ON=S(C)(=O)O)c(NCC2CCc3cc(OC)c(OCC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29092476
39783,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(c3ccc(OCC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31090713
39784,CCCOc1ccc(OOCC)c(N2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3767419
39785,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCC3CC(=O)C=CC=CC3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25676358
39786,CCCOc1ccc(OS(C)(=O)=O)c(CNCC2CCc3ccc(F)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.44826642
39787,CCOC(=O)c1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4704955
39788,CCOCCCN1CCN(Cc2cccc(-c3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60271734
39789,CCOc1cc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.86905754
39790,CCOc1cccc2c1CN1CCc3cc(Cc4ccccc4)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72831315
39791,CCc1cc(OCCOC)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.084951796
39792,CCc1cc2c(cc1O)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59070885
39793,CNc1cccc(-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.479561
39794,COC(=O)OCc1cccc(Cc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39681384
39795,COC1CCN(CCN2CCN(c3ccccc3-c3cccc4nccnc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7768187
39796,COCCOc1ccc(OC)c(NC(=O)COc2ccccc2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.011597377
39797,CON1CCN(CCNC(=O)c2ccc(Br)c(-c3ccc(C)cc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.17142092
39798,COc1cc2c(cc1Cc1ccnc3ccccc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7184746
39799,COc1cc2c(cc1OC)C1Cc3cccc(-c4cccs4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.754136
39800,COc1ccc(Br)cc1OCc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7111032
39801,COc1ccc(OCCC(C)Cc2ccccc2)cc1CS(=O)(=O)c1ccc(C=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.05422159
39802,COc1ccc(OCCCCNC(=O)c2ccc(F)cc2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.052125886
39803,COc1ccc(OCCN2CCC(Cc3ccc4ccccc4n3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6169612
39804,COc1ccc(OCCN2CCCCC(c3ccc(OC4CCCC4)cc3)C2)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.37201655
39805,COc1ccc(OCCN=C2CCc3ccccc3C2)cc1NC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.143611
39806,COc1ccc(OCCN=S(C)(=O)O)cc1NCCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.09237167
39807,COc1ccc(OCCS(C)(=O)=O)cc1C1CCC1Cc1ccc(OC2CCCCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.13840874
39808,COc1ccc(OCCSC)cc1N1CCCC(Cc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.35581535
39809,COc1ccc(OCC[SH](C)(=O)N=O)cc1NCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.05801792
39810,COc1ccc(Oc2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8738836
39811,COc1cccc(CN2CCN(CCCc3cccc4c3NC(=O)CC4)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6994093
39812,COc1cccc2c1CN1CCc3cc(CN4CCCC4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6113811
39813,COc1ccccc1C1CCN(CCOc2ccc(ON=[SH]SC)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.58812606
39814,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cnc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84686357
39815,Cc1cc(OCCC(=O)COc2ccc(C(C)C)cc2)ccc1ON(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.016361954
39816,Cc1cc(OCCC(=O)COc2ccc(CF)cc2)ccc1OCNS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.015020433
39817,Cc1cc(OCCN2CCC(CCc3ccc(F)cc3)CC2)ccc1OSO,[*]CCOc1ccc(O[*])c([*])c1,0.5749042
39818,Cc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1ccco1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.18968815
39819,Fc1cccc(CN2CCN(CCCC3COc4ccccc4N3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62154055
39820,N#CCCCN1CCN(Cc2cccc(N3CCc4ccccc4C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.73893374
39821,O=S1(=O)Cc2ccccc2N1c1cccc(CN2CCN(CCCBr)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7237222
39822,OCc1cc2c(cc1-c1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7184303
39823,Oc1cc2c(cc1-c1cc[nH]n1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7030375
39824,Oc1cccc2c1CN1CCc3cc(NC(F)(F)F)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6407275
39825,CCCOc1ccc(OC(=O)COc2ccc(C)cc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.023033116
39826,CCCOc1ccc(OOC)c(N2CCN(C(C)c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33652386
39827,CCOCCCN1CCN(Cc2cccc(CNC(=O)c3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.43212458
39828,CCOc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6389545
39829,CCOc1ccccc1N1CCN(CCN2CCC(Cc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7873436
39830,CCc1ccccc1OCOc1ccc(OCCNS(C)(=O)=O)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.120353706
39831,CNCCOc1ccc(OC)c(CN2CCN(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6348607
39832,CNS(=O)(=O)Oc1ccc(OCCNCc2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.1590162
39833,COC(=O)c1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57034
39834,COCC1=NSN(Cc2cc(OCCNC(=O)c3ccc(F)cc3)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.11198505
39835,COCCCN1CCN(Cc2cccc(Cn3c(O)cc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5949216
39836,COCCOc1ccc(OC)c(C2CCN(Cc3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.63853276
39837,COCc1cc2c(cc1O)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6636526
39838,CON1CCN(CCNC(=O)c2ccc(-c3cccc(Cl)c3Cl)c(O)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3549606
39839,COOc1ccc(OCCC(=O)COc2ccc3c(c2)N(C)C(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.16887823
39840,COc1cc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)on1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73881054
39841,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1csc2ccccc12,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31146902
39842,COc1cc2c(cc1-c1cc(CO)ccn1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5788256
39843,COc1cc2c(cc1CN(C)S(=O)(=O)c1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54815024
39844,COc1cc2c(cc1O)C1Cc3cccc(Cc4cccc(OC#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7269024
39845,COc1cc2c(cc1OC)C1Cc3cccc(-c4cc(CO)ccc4[N+](=O)[O-])c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50547737
39846,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(O)c5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65379226
39847,COc1cc2c(cc1OC)C1Cc3cccc(NC(=O)CCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.20587924
39848,COc1ccc(OCC2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.88394326
39849,COc1ccc(OCCC(C)Cc2ccccc2)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7629152
39850,COc1ccc(OCCN2CCC(c3ccc(OC4CCCC4)c(C(C)=O)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.45765197
39851,COc1ccc(OCCNC(=O)c2cccc(C)c2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.018649543
39852,COc1ccc(OCCS(C)(=O)=O)cc1OC1CCC(Cc2ccc3c(c2)NC(=O)CCC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.26373133
39853,COc1ccc(OCCc2ccc(S(=O)(=O)C3CCCCC3)c(F)c2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.17030057
39854,COc1ccc2c(c1)CCN(c1cccc(CN3CCN(CCCCl)CC3)c1)C2=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6511291
39855,COc1cccc(-c2cc(C(=O)NCCN3CCN(OC)CC3)ccc2Cl)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3171311
39856,COc1cccc(CN2CCN(CCCc3cc(OC)cc4ccccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6146125
39857,COc1cccc(CN2CCN(CCCc3ccc(SC)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.633602
39858,COc1cccc2c1CN1CCc3cc(Cc4ccnc5ccccc45)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67817223
39859,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc4c(OC)cccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84725034
39860,CS(=O)(=O)NCCOc1ccc(OF)c(CCCc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22688812
39861,Cc1cc(OCCCNCc2ccco2)ccc1ON1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.1562212
39862,Cc1cc(OCCCSc2ccc(F)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.082583874
39863,Cc1cc(OCCN2CCC(Cc3ccc4ccccc4c3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.59978485
39864,Cc1cc(OCCNCCCc2ccc(F)cc2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.22325268
39865,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(c2ccc(NS(C)(=O)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21721156
39866,Cc1cc(OCCNS(C)(=O)=O)ccc1OSCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.084957905
39867,Cc1cc(OCCS(C)(=O)=O)ccc1OC(=O)Cc1ccc(OC2CCNCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07141612
39868,Fc1ccccc1N1CCN(CCN2CCC(c3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7227741
39869,NCCOc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69634014
39870,O=c1ccccn1C1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8056074
39871,Oc1cc2c(cc1C=NOc1cccc(Cl)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60842204
39872,Oc1ccccc1CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5747359
39873,CC1(c2cccc(CN3CCN(CCCCl)CC3)c2)CC(=O)Nc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51022214
39874,CCCOc1ccc(OCN=S(C)(=O)O)c(Cc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.070946045
39875,CCCOc1ccc(ON)c(CCN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.78928113
39876,CCCOc1ccc(ON)c(N2CCN(c3ccccc3OCCF)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.45942172
39877,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(Oc3ccc(C4CC4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19459917
39878,CCCOc1ccc(ONS(C)(=O)=O)c(CCCc2ccc(C3CCCN3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16702554
39879,CCCOc1ccc(OO)c(N2CCC(CCc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37806806
39880,CCCOc1ccc(OS(C)(=N)=O)c(NCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.080263495
39881,CCOc1cc2c(cc1O)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6905172
39882,CNC(=O)c1ccc(OC2CCN(CCOc3ccc(OC)c(OC)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.39122352
39883,COC(=O)CNc1cc(OCCCC(=O)c2ccc(SC)cc2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.03445929
39884,COC(=O)c1ccc2ccccc2c1-c1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4468808
39885,COC1CCN(CCN2CCN(c3ccccc3-c3cc(C(F)(F)F)ccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7984272
39886,COOc1ccc(OCCN2CCN(c3ccccc3SC)C(=O)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.3386962
39887,COc1cc2c(cc1O)C1Cc3cccc(-c4cccc(CC#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6795118
39888,COc1cc2c(cc1O)C1Cc3cccc(C(=O)OCc4cccc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4804489
39889,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(S(N)(=O)=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5664272
39890,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccnc([N+](=O)[O-])c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4933627
39891,COc1cc2c(cc1OC)C1Cc3cccc(Cc4cccc([N+](=O)OC)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5731738
39892,COc1ccc(-c2cc(C(=O)NCCN3CCN(OC)CC3)ccc2C)c(OC)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.23035648
39893,COc1ccc(-c2cccc(CN3CCN(CCCCl)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5965342
39894,COc1ccc(OC)c(C(=O)NC2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6144346
39895,COc1ccc(OCCCCCc2ccc3c(c2)NC(=O)CC3)cc1NC(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.051630553
39896,COc1ccc(OCCCSc2ccccc2C(C)C)cc1N=[SH](C)(O)O,[*]CCOc1ccc(O[*])c([*])c1,0.080879934
39897,COc1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.62045616
39898,COc1ccc(OCCN2CCCC(OCc3ccccc3)C2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.522497
39899,COc1ccc(OCCOCCF)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07038873
39900,COc1ccc(OCCOS(C)(=O)=O)cc1N1C(=O)CCc2ccc(CC3CCCCC3)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.17314546
39901,COc1ccc(OCCS(C)(=O)=O)cc1C1CCCC(COc2ccc3c(c2C)NC(=O)C(=O)C3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.229235
39902,COc1ccc(OCCc2ccccc2)cc1S(=O)(=O)NC1CCN(C(C)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.10027874
39903,COc1cccc(CN2CCN(CCCCN3c4ccccc4C(=O)S3(=O)=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70358634
39904,COc1ccccc1N1CCN(CCN2CCC(c3cc(F)c4ccc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72720945
39905,COc1ccccc1N1CCN(CCN2CCC(c3ccc4ccc(Oc5ccccc5)cc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7539095
39906,COc1ccccc1N1CCN(CCOc2ccc(OOS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.73537415
39907,COc1ccccc1N1CCN(c2cc(OCCSC)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.33905673
39908,COc1ccccc1NCCCOc1ccc(OOS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09405276
39909,Cc1cc(OCCN2C(=O)CCc3ccc(CC4CCCCC4)cc32)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.25299093
39910,Cc1cc(OCCN2CCC(C(=O)c3ccc(Cl)cc3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.54160583
39911,Cc1cc(OCCN2CCC(NS(=O)(=O)c3ccc(F)c(F)c3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5928742
39912,Cc1cc(OCCN2CCCC(Cc3ccc(F)cc3)C2)ccc1OS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.3663968
39913,Cc1ccccc1N1CCN(CCN2CCC(c3ccc(N(C)C)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.669121
39914,O=C1N(Cc2cccc(CN3CCN(CCCF)CC3)c2)CCN1c1cccc(Cl)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64832205
39915,O=c1c2ccsc2ccn1Cc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5834166
39916,Oc1cccc2c1CN1CCc3cc(CNc4ccc5[nH]ccc5c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45099834
39917,CC(=O)c1ccccc1N1CCN(CCN2CCC(c3cccnn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6200752
39918,CC1(CCCN2CCN(Cc3cccc(Cl)c3)CC2)C(=O)NCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6906613
39919,CC1(c2ccccc2)CCN1C(=O)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5617234
39920,CCCOc1ccc(ON2CCN(C(=O)OCC)CC2)c(-c2ccc(C(F)(F)F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07152896
39921,CCCOc1ccc(ON2CCN(Cc3cccc(OC)c3)CC2)c(C(=O)OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27900305
39922,CCCOc1ccc(ONS(C)(=O)=O)c(NCC2C(=O)CCc3ccc(OCC(F)(F)F)cc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2789839
39923,CCNC(=O)NCCc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4974288
39924,CCOc1cccc(-c2cccc3c2CN2CCc4cc(C)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45881498
39925,CCc1ccccc1N1CCN(CCN2CCC(c3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76487267
39926,COC(=O)c1ccccc1CCCN1CCN(Cc2cccc(OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.40813404
39927,COC1CCN(CCN2CCN(c3ccccc3N3CCCc4ccccc4C3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72501177
39928,COCCCN1CCN(Cc2cccc(-c3cc(-c4ccc(F)cc4)cs3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5926901
39929,COCCOc1ccc(OCn2cccc2OCC2CCCC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21841727
39930,CON(C)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8117676
39931,COc1cc2c(cc1-c1ccc(CO)cc1)CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5792494
39932,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(OCc5cccc(C#N)c5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5400027
39933,COc1cc2c(cc1O)C1Cc3cccc(-c4cccc5c4ccn5C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7044407
39934,COc1cc2c(cc1O)C1Cc3cccc(COCC4CC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8042127
39935,COc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1Cl,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7635782
39936,COc1ccc(OCCN2CCCC(c3ccccc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.610921
39937,COc1ccc(OCCN2CCN(C(=O)Cc3ccccc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.20301303
39938,COc1ccc(OCCN2CCN(c3cccc(C(C)C)c3)CC2)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6581168
39939,COc1ccc(OCCSC)cc1N1CCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.32015225
39940,COc1ccc(OCCc2cccc(S(=O)(=O)C3CCCC3)c2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.15504132
39941,COc1ccc2c(Cc3cccc4c3CN3CCc5cc(O)c(OC)cc5C3C4)cccc2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8145408
39942,COc1cccc(C(=O)NCC2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7055679
39943,COc1cccc2c1CN1CCc3cc(-c4ccc(C)c5ccccc45)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.605916
39944,COc1cccc2c1CN1CCc3cc(CCc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69382083
39945,COc1ccccc1C1CCN(COc2ccc(OCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.48950672
39946,COc1ccccc1N1CCN(CCN2CCC(c3cccc(F)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85438424
39947,COc1ccccc1N1CCN(CCN2CCC(c3ccccc3-c3cccc(O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7617466
39948,COc1ccccc1N1CCN(CCN2CCC(n3cncc3-c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80777186
39949,Cc1cc(OCCCN2C=CC(=O)CC2)ccc1ONc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.18255652
39950,Cc1cc(OCCN2CCC(Cc3ccc(F)cc3)C2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4921653
39951,Cc1cc(OCCN2CCC(c3ccc(F)cn3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6822502
39952,Cc1cc(OCCN2CCC(c3ccccc3C=O)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6371388
39953,Cc1cc(OCCN2CCN(c3ccc(F)cc3)CC2)ccc1OC=O,[*]CCOc1ccc(O[*])c([*])c1,0.65359604
39954,Cc1cc(OCCNS(C)(=O)=O)ccc1ONC(=O)Cc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.050897427
39955,Cc1cc(OCCNSCc2ccc(F)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.051176786
39956,Cc1ccccc1N1CCN(CCN2CCC(Oc3ccc4c(c3)NC(=O)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.709671
39957,Fc1ccc(-c2cc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)on2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7661679
39958,Fc1ccc(C2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)c(F)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.88041186
39959,O=C(Nc1cccc(CN2CCN(CCCF)CC2)c1)c1cc2ccccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.39740032
39960,O=C(Nc1ccccc1)c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.30410618
39961,O=C1Cc2ccc(c(Cc3cccc(CN4CCN(CCCCl)CC4)c3)c2)CCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7664234
39962,OCc1cccc(-c2cc3c(cc2F)CCN2Cc4c(O)cccc4CC32)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7157023
39963,Oc1nc2c(F)cccc2n1C1CCN(CCN2CCN(c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.725897
39964,CCCOc1ccc(OC=O)c(N2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33513558
39965,CCCOc1ccc(OCN2CCC(C(=O)c3ccc(F)cc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4888862
39966,CCCOc1ccc(OF)c(CCOc2ccc3c(c2)N(C(C)=O)CCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19518095
39967,CCCOc1ccc(ONC(=O)COc2cccc(F)c2)c(C(=O)OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.034435235
39968,CCCOc1ccc(OOC)c(-c2cccs2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.106239356
39969,CCCOc1ccc(OOC)c(CN2CCCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8053349
39970,CCCOc1ccc(O[N+](=O)[O-])c(N2CCCC(Cc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11656331
39971,CCc1cc2c(cc1O)C1Cc3cccc(N4CCCCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35613182
39972,CNC(=O)CCOc1ccc(OC)c(N2CCC(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15851198
39973,CNC1CCC(O)(c2ccc(C(=O)NCCOc3ccc(OSC)c(C)c3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.05514257
39974,COC(=O)c1cc(OCCN2CCC(c3ccc(F)cc3)CC2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.57348496
39975,COC1CCN(CCN2CCN(c3ccccc3-c3cc4ccc(O)cc4nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.63444227
39976,COCCCN1CCN(Cc2cccc(C3c4ccccc4C(=O)N3C(=O)OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.41353896
39977,COCCCN1CCN(Cc2cccc(NS(=O)(=O)c3cccc(F)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.39893013
39978,COCCOc1ccc(ON2CCN(c3ccc(C)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19118424
39979,COOc1ccc(OCCN2CCOC(CCc3ccccc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.42911324
39980,COc1cc2c(cc1C)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6610466
39981,COc1cc2c(cc1Cc1cccc3ccccc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76699597
39982,COc1cc2c(cc1O)C1Cc3cccc(C(C)(C)OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75077254
39983,COc1cc2c(cc1O)C1Cc3cccc(Cc4cccc(C=O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66357225
39984,COc1cc2c(cc1OC)C1Cc3cccc(OCc4ccc([N+](N)=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6191944
39985,COc1ccc(COCc2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.706407
39986,COc1ccc(OCCC(N)=O)cc1NCCc1ccccc1F,[*]CCOc1ccc(O[*])c([*])c1,0.026917579
39987,COc1ccc(OCCCc2cccc(OCC(F)(F)F)c2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.12011444
39988,COc1ccc(OCCN2CCC(NC(=O)c3ccc(F)cc3)C2)cc1C(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.54003733
39989,COc1ccc(OCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)cc1SO,[*]CCOc1ccc(O[*])c([*])c1,0.80561864
39990,COc1ccc(OCCNC(=O)CCc2ccccc2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.028716428
39991,COc1ccc(OCCNC(=O)Cc2cccc3ccc(F)cc23)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.011079916
39992,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.34259322
39993,COc1cccc(CN2CCN(CCCCN3CCCCC3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49984324
39994,COc1cccc2c1CN1CCc3cc(-c4cccc(Oc5ccccc5)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58707637
39995,COc1ccccc1N1CCN(CCCN2CCN(Cc3cccc(Cl)c3)CC2)C1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.527793
39996,CSOc1ccc(OCCN2CCc3ccccc3C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5005283
39997,Cc1cc(OCCCCCc2ccc3c(c2)NC(=O)CC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.163547
39998,Cc1cc(OCCF)ccc1ON1CCNC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.33952525
39999,Cc1cc(OCCN2CCCC(CCc3ccc(F)cc3)C2)ccc1OS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.35851127
40000,Cc1cc(OCCN2CCCC(Cc3ccc(F)cc3)C2)ccc1OBr,[*]CCOc1ccc(O[*])c([*])c1,0.48232377
40001,Cc1cc(OCCNC(=O)C2CCNCC2)ccc1OC(=O)COc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.06359195
40002,Cc1cc(OCCOc2ccc(F)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.08058697
40003,Cc1ccc(C)c(-c2ccccc2N2CCN(CCN3CCC(C)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66208297
40004,ClCCCN1CCN(Cc2cccc(Nc3cccs3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53249395
40005,FC(F)(F)c1ccccc1N1CCN(CCN2CCC(Nc3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8454329
40006,O=C(Cc1ccccc1)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.25399965
40007,O=C(O)Cc1cc2c(cc1Cl)C1Cc3cccc(CO)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.507845
40008,O=C1C(=O)N(c2cccc(CN3CCN(CCCOC(F)(F)F)CC3)c2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65313345
40009,O=[N+]([O-])c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5274952
40010,OCc1ccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)cc1Cl,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61218464
40011,Oc1c2ccccc2cn1CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6374534
40012,CC(=O)NCCOc1ccc(ON2CCC(C(=O)c3ccc(F)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11484788
40013,CC(=O)c1ccc(C=CCCOc2ccc(ON(C)C)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.02212538
40014,CCCOc1ccc(OCc2ccc(F)cc2)c(CN2CCN(c3cccc(OC)c3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.61967224
40015,CCCOc1ccc(OF)c(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07601956
40016,CCCOc1ccc(ON)c(N2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32187948
40017,CCCOc1ccc(ON)c(N2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36359918
40018,CCCOc1ccc(ON=S(C)(=O)O)c(NC(=O)CCc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07214331
40019,CCCOc1ccc(ONS(=O)(=O)c2ccc(C(C)C)cc2)c(CC2CCCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17581084
40020,CCCOc1ccc(OOC)c(NCC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.044575606
40021,CCCOc1ccc(OS(=O)(=O)N(C)C)c(NC(C)Cc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09971384
40022,CCCOc1ccc(OS(C)(=O)=O)c(Cc2ccc(S(C)(=O)=O)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06301979
40023,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.297884
40024,COC(=O)CCCN1CCN(Cc2cccc(CNC(=O)c3cc4ccccc4s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.41721907
40025,COC(=O)Oc1cc2c(cc1C)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36258364
40026,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3cc4ccccc4s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.44484413
40027,COCCCN1CCN(Cc2cccc(Cc3ccc4ccccc4c3OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63159645
40028,COCCCN1CCN(Cc2cccc(NC(=O)c3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3765956
40029,COc1c(C(=O)c2cccc(CN3CCN(CCCCl)CC3)c2)ccc2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4960443
40030,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1Cc1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35409483
40031,COc1cc2c(cc1N(C)Cc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7397122
40032,COc1cc2c(cc1O)C1Cc3cccc(CCN(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8712414
40033,COc1cc2c(cc1O)C1Cc3cccc(Cc4cc5ccccc5cc4C#N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.755586
40034,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccccc4CO)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7714807
40035,COc1ccc(-c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c(OC)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7185518
40036,COc1ccc(OCCC(=O)COc2ccc(C)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.017701408
40037,COc1ccc(OCCCN2CCN(c3ccccc3OC)CC2)cc1CN1C=C(CCF)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.83537596
40038,COc1ccc(OCCN=S(C)(=O)O)cc1NC(=O)COc1ccc(C2CCCCN2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.0072706784
40039,COc1ccc(OCCNC(C)=O)cc1N1CCC(c2ccc(F)cn2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23050654
40040,COc1ccc(OCCSC)cc1N1CCN(c2ccccc2C(C)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.14174473
40041,COc1cccc(C2CCN(CCOc3ccc(OSC)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.72285086
40042,COc1cccc2c1CN1CCc3cc(C)c(-c4ccc(O)c5ccccc45)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6038656
40043,COc1cccc2c1CN1CCc3cc([N+]Cc4ccc(C#N)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74736136
40044,Cc1cc(OCCC(=O)Cc2ccccc2)ccc1ON1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19561736
40045,Cc1cc(OCCC(C)Cc2ccccc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08202561
40046,Cc1cc(OCCCF)ccc1ONS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.05783623
40047,Cc1cc(OCCN2CC=CC(Cc3ccc(F)cc3)C2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.33914608
40048,Cc1cc(OCCN2CCCC(Cc3ccccc3)C2)ccc1O[SH]=O,[*]CCOc1ccc(O[*])c([*])c1,0.42468506
40049,Cc1cc(OCCN2CCCC(c3ccccc3)C2)ccc1OS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.46613988
40050,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(Cc2ccc3c(c2)NC(=O)CCC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.284032
40051,Cc1cc(OCCNCc2cccnc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1473092
40052,Cc1cccc(CN2CCN(CCCCNS(=O)(=O)c3ccc4ccccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5670884
40053,Cc1ccccc1OC1CCN(CCOc2ccc(OS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.62657684
40054,Clc1cccc(CN2CCN(CCCCOc3ccccn3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6859672
40055,NC(=O)Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54269814
40056,O=C(Nc1cccc2ccccc12)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35272783
40057,O=C(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1ccc(F)nc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.46999258
40058,O=C(c1cccc(CN2CCN(CCCCl)CC2)c1)C1CCCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6407026
40059,O=C1C=CC=C2C=CC=CC12CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5964221
40060,O=C1c2ccccc2C(=O)N1CCCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.74332607
40061,Oc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.82338005
40062,CC(=O)c1cccc2c1CN1CCc3cc(N(C)C)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5026163
40063,CC1(c2cccc(CN3CCN(CCCF)CC3)c2)CC(=O)c2ccccc2C1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5706776
40064,CC1Cc2ccccc2N1C(=O)CCCCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7504141
40065,CCCCOc1ccc(ON=S(C)(=O)O)c(N2CCCCC2c2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16638103
40066,CCCCn1ccc(C(=O)NOc2ccc(OCCOC)cc2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04093312
40067,CCCOCc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75623775
40068,CCCOc1ccc(OC(N)=O)c(CN2CCN(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.48030323
40069,CCCOc1ccc(OCO)c(N2CCN(c3ccccc3Cl)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27356824
40070,CCCOc1ccc(ON)c(CN2CCN(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.74545944
40071,CCCOc1ccc(ON2CCC(C(=O)c3ccccc3OC)CC2)c(NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11092325
40072,CCCOc1ccc(ONc2ccccc2OCCC)c(CS(N)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.078162074
40073,CCCOc1ccc(OOCC)c(CNCc2cc(C)no2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.087398484
40074,CCCOc1ccc(OS(C)(=O)=O)c(NCc2ccccc2OCCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.119076215
40075,CCOC1CCN(CCN2CCN(c3ccccc3NC(=O)Nc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4111183
40076,CCON1CCN(CCNC(=O)c2ccc(C)c(-c3ccccc3OC)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33612195
40077,CCOc1cccc(CN2CCN(CCCC(=O)c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.44667044
40078,COC(=O)c1cc2c(cc1OC)CCN1Cc3c(cccc3C(=O)OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4644172
40079,COC(=O)c1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6115112
40080,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(Cl)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.813536
40081,COCCOc1ccc(OC)c(CN2CCC(Nc3cccc(C(C)=O)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21683592
40082,COCCOc1ccc(ONC2CCN(C(=O)c3ccc(F)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07401852
40083,COc1cc2c(cc1Cl)CCN1Cc3c(cccc3OC(F)(F)F)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7126636
40084,COc1cc2c(cc1O)C1Cc3cccc(COc4ccc(CO)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7835422
40085,COc1cc2c(cc1O)C1Cc3cccc(OC([O-])(F)F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7274948
40086,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc5c(OC)cccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64691746
40087,COc1cc2c(cc1[SH](C)(=O)O)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70583755
40088,COc1ccc(C(=O)NCCN2CCN(CO)CC2)cc1-c1cccc(Cl)c1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26899788
40089,COc1ccc(C(=O)Nc2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)nc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.42529982
40090,COc1ccc(OCCC(N)=O)cc1CCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.03398654
40091,COc1ccc(OCCCF)cc1NC(C)c1ccccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.14973767
40092,COc1ccc(OCCNC(C)=O)cc1CCn1cccc1OCCF,[*]CCOc1ccc(O[*])c([*])c1,0.03897252
40093,COc1ccc(OCCNCCc2ccccc2)cc1N=S(C)O,[*]CCOc1ccc(O[*])c([*])c1,0.2423287
40094,COc1ccc(OCCc2ccccc2OCC(F)(F)F)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.14101146
40095,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(OC)CC2)cc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.39291334
40096,COc1ccccc1N1CCN(CCN2CCC(N(C(=O)c3ccccc3)c3ccccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82694215
40097,COc1ccccc1N1CCN(CCN2CCC(c3cncc(-c4ccc(Cl)cc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8648432
40098,COc1ccccc1N1CCN(Oc2ccc(OCCF)cc2C)C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.22205408
40099,CSOc1ccc(OCCCN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.63729525
40100,C[N+]c1ccccc1N1CCN(CCNC(=O)c2ccc(OC)c(OC)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.75381994
40101,Cc1cc(OCCF)ccc1ON1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.35302165
40102,Cc1cc(OCCN2CCC(c3ccc(CS(C)(=O)=O)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6594139
40103,Cc1cc(OCCN2CCCC(Cc3ccc4ccccc4n3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.36175346
40104,Cc1cc(OCCN2CCN(Cc3cccc(-c4ccccc4)c3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.45059294
40105,Cc1cc(OCCc2ccccc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09759892
40106,Cc1ccc(-c2cccc3c2CN2CCc4cc(O)c(CO)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5248147
40107,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7280393
40108,O=C(NCc1cccc(CN2CCN(CCCF)CC2)c1)c1ccco1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4364174
40109,O=S(=O)(CCCN1CCN(Cc2cccc(Cl)c2)CC1)c1ccc2ccccc2n1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6370496
40110,Oc1cc2c(cc1ONCc1ccccc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65901536
40111,Oc1nccn1-c1ccccc1N1CCN(CCN2CCC(F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6863256
40112,C=Cc1cc(CC2CCN(CCOc3ccc(OC)c(S(C)(=O)=O)c3)CC2)ccc1OC1CCCC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.51942056
40113,CC#Cc1ccccc1N1CCN(CCN2CCC(c3ccccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7427124
40114,CC(=O)Oc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56979877
40115,CC(C)(C)CCCN1CCN(Cc2cccc(CNC(=O)c3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4539246
40116,CCCCCN1CCN(Cc2cccc(Cc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6220464
40117,CCCOc1ccc(OC)c(CNC(=O)c2cccc(C(=O)NC(C)C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.021886615
40118,CCCOc1ccc(OCN)c(Cc2ccc(OC3CCCCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20759714
40119,CCCOc1ccc(ON2CCN(c3ccc(F)cc3)CC2)c(OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29456252
40120,CCCOc1ccc(ONS(C)(=O)=O)c(-c2ccc3cc(OCC4CCCNC4)ccc3c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13671365
40121,CCCOc1ccc(OS(N)(=O)=O)c(N2CCCC(Cc3ccc(SC)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16890188
40122,CCCOc1ccc(OS(N)(=O)=O)c(NCCc2cccc3c2NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19250998
40123,CCCc1ccc(C(=O)NCCOc2ccc(OOC)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.027207287
40124,CCOc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cc(O)nc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71584326
40125,CCOc1ccccc1N1CCN(c2cc(OCCS(N)(=O)=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.26013
40126,CCc1cccc2c1CN1CCc3cc(C)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7117956
40127,CNC(=O)c1cc(OCCN2CCN(c3ccccc3OC)CC2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.9443943
40128,COC1CCN(CCN2CCN(c3ccccc3-c3cc(O)nc4cc(CO)ccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70009923
40129,COC1CCN(CCN2CCN(c3ccccc3-n3cc(-c4ccc(Cl)cc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.795528
40130,COC1CCN(CCN2CCN(c3ccccc3N=CC3Nc4ccccc4C(=O)N3c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70457643
40131,COCCOc1ccc(OC)c(N2CCN(c3ccc(C(C)C)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2979656
40132,COCCOc1ccc(OCCCn2cc(C)c(C)c2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1140756
40133,COCCOc1ccc(OCCOc2ccc(F)cc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.118790336
40134,COCCOc1ccc(ON2CCN(C(c3ccccc3)c3ccc(F)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24764404
40135,COc1cc2c(cc1O)C1Cc3cccc(CC4(C#N)CCCCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55502516
40136,COc1cc2c(cc1O)C1Cc3cccc(Cc4cccnc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6665843
40137,COc1cc2c(cc1OC(C)=O)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45180172
40138,COc1ccc(C(=O)NCCN2CCN(OC(C)=O)CC2)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.24629326
40139,COc1ccc(CC2CCCN(c3cc(OCCN=S(C)(=O)O)ccc3OC)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.13983314
40140,COc1ccc(OCCC(C)C)cc1N1CCC(c2ccccc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.32062575
40141,COc1ccc(OCCN2CCN(C)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.35258135
40142,COc1ccc(OCCN2CCN(Cc3ccc(F)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5267759
40143,COc1ccc(OCCNC(=O)c2cccc(S(=O)(=O)C3CCCCC3)c2)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.03534518
40144,COc1ccc(OCCNC(C)=O)cc1N1CCC(c2noc3cc(F)ccc23)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.26593304
40145,COc1ccc(OCCNCc2ccccc2F)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.18515296
40146,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(Cc2ccc3c(c2)NCC(=O)C3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.35187042
40147,COc1cccc(-c2cc3c(cc2C)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61379004
40148,COc1cccc2c1CN1CCc3cc(CCN)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79761004
40149,COc1ccccc1N1CCN(CCN2CCC(CO)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8675568
40150,Cc1cc(OCCCc2ccc(CS(C)(=O)=O)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.075393125
40151,Cc1cc(OCCN2CCOC(CCc3ccc(F)cc3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.35763055
40152,Cc1cc2c(cc1Cc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6424355
40153,Cc1cccc2c1CCN2c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6402153
40154,O=C(NCCc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2)c1ccc2[nH]ccc2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35149622
40155,O=Cc1cccc2c1CN1CCc3cc(O)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74005824
40156,O=[N+]([O-])c1ccccc1N1CCN(CCN2CCC(Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.52368414
40157,Oc1c2ccccc2cn1-c1ccccc1N1CCN(CCN2CCC(F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65411335
40158,Oc1cc2c(cc1O)C1Cc3cccc(-c4cccs4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6877482
40159,CCCCN1CCN(Cc2cccc(-n3c(=O)oc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54351217
40160,CCCOc1ccc(OC)c(CN2CCC(S(=O)(=O)c3cccc(Cl)c3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.51333326
40161,CCCOc1ccc(ON2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26181328
40162,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCN(Cc3cc(C)co3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33495256
40163,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31449574
40164,CCCOc1ccc(Oc2cccc(C(C)C)n2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09737867
40165,CCCc1cn(CCCOc2ccc(OOC)c(C)c2)nn1,[*]CCOc1ccc(O[*])c([*])c1,0.10746108
40166,CCN1CCC(c2ccc(F)cc2)CC1c1cc(OCCS(C)(=O)=O)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.29184574
40167,COC(=O)Nc1ccc(CCc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41342103
40168,COC1CCN(CCN2CCN(c3ccccc3C(F)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.742472
40169,COCCCN1CCN(Cc2cccc(CNC(=O)Cc3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.32561535
40170,COCCOc1ccc(OC)c(NS(=O)(=O)c2ccc(C(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.059796896
40171,COCCOc1ccc(OCN2CCN(c3cccc(F)c3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.53358775
40172,COOc1ccc(OCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.43492448
40173,COc1cc2c(cc1CO)CCN1Cc3c(cccc3OCc3ccc(CO)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.667913
40174,COc1cc2c(cc1N(C)C)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7776459
40175,COc1cc2c(cc1NCc1cccc(C#N)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49939835
40176,COc1cc2c(cc1O)C1Cc3cccc(C#Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8572774
40177,COc1cc2c(cc1O)C1Cc3cccc(Oc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.789993
40178,COc1cc2c(cc1OC(C)=O)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47763553
40179,COc1cc2c(cc1OC)C1Cc3cccc(NC(=O)Cc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.20709607
40180,COc1cc2c(cc1OC)C1Cc3cccc(OCc4ccc(COC(F)(F)F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73127353
40181,COc1ccc(OC)c(C(=O)c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71528435
40182,COc1ccc(OCCCC2CCN(C(=O)c3ccc(F)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1203985
40183,COc1ccc(OCCN2CCNC2=O)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.202571
40184,COc1ccc(OCCNC2CCC(O)(c3ccc(F)cc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.18104024
40185,COc1ccc(OCCS(=O)(=O)C(F)(F)F)cc1N1CCCC1Cc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.27098432
40186,COc1cccc(CN2CCN(CCCCc3ccc(C)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6314205
40187,COc1cccc(CN2CCN(CCCNC(=O)C3CCCCC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.32595634
40188,COc1cccc2c1CN1CCc3cc(C#Cc4ccc([N+](=O)[O-])cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49698958
40189,COc1cccc2c1CN1CCc3cc(COC(C)(C)C)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71442175
40190,COc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84011066
40191,COc1ccccc1N1CCN(CCN2CCC(Oc3ccc4nc(O)n(C)c4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7023231
40192,COc1ccccc1N1CCN(COc2ccc(OCCNC(=O)c3ccccc3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.66277045
40193,CSOc1ccc(OCCN2CCN(Cc3cccc(OC(C)C)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.4084533
40194,CSc1cc(OCCNCc2ccccc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.3098803
40195,CSc1cccc(C2CCN(CCCOc3ccc(ON=S(C)(=O)O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7029052
40196,Cc1cc(OCCN2CCC(Cc3ccc(F)cc3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.48462388
40197,Cc1cc(OCCN2CCC(Cc3ccc4cccc(C)c4c3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6482673
40198,Cc1cc(OCCN2CCOC(Cc3ccccc3)C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.33832014
40199,Cc1cc(OCCNC(=O)Cc2ccccc2)ccc1OCN1CCC(C)S1,[*]CCOc1ccc(O[*])c([*])c1,0.060602978
40200,Cc1cc(OCCNS(=O)(=O)CCc2ccccc2)ccc1ON1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28491986
40201,Cc1cc(OCCNS(=O)(=O)O)ccc1OCCOc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.063057974
40202,Cc1cc(OCCS(N)(=O)=O)ccc1ONCC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.2708264
40203,N#Cc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8176096
40204,O=C(NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)c1cc2ccccc2s1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85282475
40205,O=C(Nc1ccccc1N1CCN(CCN2CCC([N+](=O)[O-])CC2)CC1)c1cc(O)nc2ccccc12,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.40585515
40206,c1ccc(OCCCN2CCN(Cc3cccc(-c4cccs4)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67903584
40207,C=Cc1ccccc1OC1CCN(c2cc(OCCNS(C)(=O)=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3118821
40208,CCCCc1ccccc1-c1cc(OCCF)ccc1OOC,[*]CCOc1ccc(O[*])c([*])c1,0.15576544
40209,CCCOc1ccc(OCNc2ccccc2OC)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10142457
40210,CCCOc1ccc(ON2CCN(C(=O)c3ccco3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.052129775
40211,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(Oc3ccc(CC4CCCC4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25800505
40212,CCCOc1ccc(OOC)c(NC(=O)Cc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08151994
40213,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3cc4c(cc3C)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17742582
40214,CCCOc1ccc(OSC)c(N2CCC(CCc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4320927
40215,CCCc1ccccc1N1CCN(c2cc(OCCOC)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3282164
40216,CCNS(=O)(=O)Oc1ccc(OCCF)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.054063782
40217,CCOc1cc(OCCN2CCN(Cc3ccccc3)CC2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.64220846
40218,CCOc1ccccc1N1CCN(CCOc2ccc(OC)c(NS(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6723102
40219,CCOc1ccccc1N1CCN(Oc2ccc(OCCO)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.26528132
40220,COC(=O)c1cc2c(cc1OC)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58643824
40221,COC1CCN(CCN2CCN(c3ccccc3-c3cn(C)c4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.793931
40222,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3ccc4ccc(O)cn34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.651341
40223,COC1CCN(CCN2CCN(c3ccccc3Cc3ccc(F)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70958555
40224,COCCCN1CCN(Cc2cccc(-c3cccc(-c4cccs4)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5498841
40225,COCCCN1CCN(Cc2cccc(N3CCCc4ccccc4C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6704651
40226,COCCOc1ccc(OC)c(NCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.077140234
40227,CONCCCOc1ccc(ON2CCN(c3ccccc3OC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33188978
40228,COc1cc2c(cc1O)C1Cc3cccc(Br)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.9022629
40229,COc1cc2c(cc1O)C1Cc3cccc(C(=O)c4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57109106
40230,COc1cc2c(cc1O)C1Cc3cccc(C(C)(C)OC(C)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6125736
40231,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc5c(c4)OCO5)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63697535
40232,COc1ccc(OCCC2CCN(Cc3ccc4c(c3)NC(=O)CC4)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4871489
40233,COc1ccc(OCCCCNC(=O)c2cccc(C)c2)cc1C(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.052039817
40234,COc1ccc(OCCCc2cccc(OCCF)c2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.11966781
40235,COc1ccc(OCCN2CCCN(c3ccc(Cl)cc3)CC2)cc1OCCF,[*]CCOc1ccc(O[*])c([*])c1,0.8461001
40236,COc1ccc(OCCNC(=O)c2cccs2)cc1CN1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.33287358
40237,COc1ccc(OCCS(C)(=O)=O)cc1C1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.16176187
40238,COc1ccc(OCCS(C)(=O)=O)cc1CNc1ccc(C2CCNCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.16101563
40239,COc1ccc(Oc2cc3c(cc2OC)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8031355
40240,COc1cccc(COc2cc3c(cc2OC)CCN2Cc4c(C)cccc4CC32)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60530126
40241,COc1cccc2c1CN1CCc3cc(-c4ccccc4)c(OC(C)=O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4337045
40242,COc1ccccc1C1CCN(COc2ccc(OCCC(C)=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.33290875
40243,COc1ccccc1Nc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48911142
40244,Cc1cc(OCCF)ccc1ONCc1ccc(C(=O)N(C)S(C)(=O)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.03348053
40245,Cc1cc(OCCN2CC(Cc3ccc4ccccc4c3)CCO2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.22326739
40246,Cc1cc(OCCNCc2cccs2)ccc1OBr,[*]CCOc1ccc(O[*])c([*])c1,0.14560801
40247,Cc1cccc(CN2CCN(CCCCN3C(=O)c4ccccc4C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7126911
40248,O=C(NCc1ccccc1)C1CCN(CCN2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.54067135
40249,O=C(Nc1cccc(CN2CCN(CCCOCCF)CC2)c1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4098672
40250,O=C(c1ccc(F)nc1)C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79986066
40251,O=C1N(CCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c2ccccc2S1(=O)=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61395466
40252,O=c1c2ccccc2n(-c2cccc(CN3CCN(CCCCl)CC3)c2)c2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6243916
40253,Oc1cc(-c2ccccc2)cn1CC1CCN(CCN2CCN(c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69750077
40254,Oc1cc2c(cc1C1CCCCC1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.548774
40255,CC1CN(c2cccc(CN3CCN(CCCCl)CC3)c2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59567636
40256,CCCCCN1CCN(Cc2cccc(-c3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66107863
40257,CCCOc1ccc(OC(=O)COc2ccccc2)c(N2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16008745
40258,CCCOc1ccc(OCCOc2ccccc2)c(C(=O)Nc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.024945883
40259,CCCOc1ccc(OCCc2ccc(F)cc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11701154
40260,CCCOc1ccc(ON2CCC(c3ccn(CCC)c3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.42267907
40261,CCCOc1ccc(ONCc2ccc(F)cc2)c(C(=O)Nc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.019021373
40262,CCCOc1ccc(ONS(C)(=O)=O)c(-c2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10314309
40263,CCCOc1ccc(ONS(C)(=O)=O)c(CN2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4286867
40264,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(c3ccc(CCC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30636826
40265,CCCOc1ccc(OOC)c(CN2CCC(OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6333623
40266,CCCS(=O)(=O)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49258998
40267,CCN1C(=O)CCc2ccc(OCC(=O)CCOc3ccc(ONS(C)(=O)=O)c(C)c3)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.108576536
40268,CCOc1cccc2c1CN1CCc3cc(OC)c(CO)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63179195
40269,CCOc1ccccc1N1CCN(Oc2ccc(OCCOC)cc2C)C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.16908915
40270,CCSc1ccccc1N1CCN(CCN2CCC(c3ccncc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67071736
40271,COc1cc2c(cc1-c1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7589948
40272,COc1cc2c(cc1O)CCN1Cc3c(cccc3C3=CC=CC(=O)[N+](OC)C=C3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6262588
40273,COc1ccc(-c2cc(OCCS(C)(=O)=O)ccc2OC)cc1OCC(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.067929424
40274,COc1ccc(Br)cc1-c1cccc(C2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70107484
40275,COc1ccc(OCCC(=O)COc2ccc(F)cc2)cc1S(=O)(=O)NC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.049416956
40276,COc1ccc(OCCCS(=O)(=O)c2cc(F)ccc2F)cc1C1CCCN1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.35731423
40277,COc1ccc(OCCF)cc1CNC(=O)c1cccc(SC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.01916691
40278,COc1ccc(OCCN2CCC(C)(C(=O)c3ccc(F)cc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.4592463
40279,COc1ccc(OCCN2CCC(c3ccccc3)CCC2C)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.6036362
40280,COc1ccc(OCCN2CCCC(Cc3ccc4c(c3)NC(=O)CC4)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.51377094
40281,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.03506406
40282,COc1ccc(OCCNC(C)=O)cc1CN1CCN(c2ccccc2OC)CC1C,[*]CCOc1ccc(O[*])c([*])c1,0.25201124
40283,COc1cccc2c1CN1CCc3cc(C(=O)OCc4ccccc4)c(CO)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35247847
40284,COc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76615626
40285,COc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4cccnc4O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7596534
40286,COc1ccccc1N1CCN(COc2ccc(OCCCCCc3ccco3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.57955074
40287,CSOc1ccc(OCCNC(=O)Cc2ccc3c(c2)CC(CO)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.155816
40288,CSOc1ccc(OCCNCc2ccc(SC)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13838615
40289,CSc1cccc(CN2CCN(COc3ccc(OCCF)cc3SC=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.43167713
40290,Cc1cc(OCCCN2CCC(C(=O)c3ccc(F)cc3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.6836273
40291,Cc1cc(OCCCOc2ccccc2C(C)C)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.110302165
40292,Cc1cc(OCCN2CCC(c3ccccc3OC3CC3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.54780555
40293,Cc1cc(OCCN2CCCC(Cc3ccc4c(c3)NC(=O)CCS4)C2)ccc1ONS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.3164029
40294,Cc1cc(OCCN2CCN(Cc3cccc(OC(C)C)c3)CC2)ccc1OS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.33535254
40295,Cc1cc2c(cc1C(=O)NCc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34819967
40296,ClC1CCN(CCN2CCN(c3ccccc3-c3cc(-c4ccccc4)ccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83755654
40297,N#Cc1ccc(-c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.663678
40298,O=C(NCCN1CCN(O)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])c(O)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.36495623
40299,O=C(OCc1ccccc1)C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.677826
40300,O=C(ONc1cccc(CN2CCN(CCCF)CC2)c1)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4185223
40301,O=C1C(Nc2ccccc2)CCCN1c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49209443
40302,C=CC1Cc2ccccc2N1CCCN1CCN(Cc2cccc(OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6540204
40303,CC(=O)c1ccc(CNCCOc2ccc(ON=S(C)(=O)O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.102475226
40304,CC(C)c1ccccc1N1CCN(CCN2CCC(Cc3cc4ccccn4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6865388
40305,CCCOc1ccc(OC)c(CN2CCN(C(C)c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.44950238
40306,CCCOc1ccc(ON2CCN(CCc3ccccc3)CC2)c(N=S(C)(=O)O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.48942167
40307,CCCOc1ccc(ON2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1513608
40308,CCCOc1ccc(ON=S(C)(=O)O)c(NCCc2ccccc2OC2CCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.121240385
40309,CCCOc1ccc(ONS(C)(=O)=O)c(NCc2ccc(OCC(F)(F)F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.052188147
40310,CCCOc1ccc(ONS(C)(=O)=O)c(OC2CCC(Nc3ccc(C(C)C)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.117594555
40311,CCCOc1ccc(OS(C)(=O)=O)c(NCCCc2ccco2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.058020446
40312,CCOc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccccc4)on3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7295426
40313,CCc1ccc(N2CCN(CCOc3ccc(OC)c(OC)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.751903
40314,CCc1cccc2c1CN1CCc3cc(OCc4ccc(OC)cc4)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76325464
40315,CNCCOc1ccc(ON2CCC(O)(c3ccc(Cl)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32428017
40316,COC1CCN(CCN2CCN(c3ccccc3NC(=O)Nc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.3979604
40317,COCCCN1CCN(Cc2cccc(N3CC(C)c4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5571605
40318,COOc1cc2c(cc1OC)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7475798
40319,COOc1ccc(OCCN2CCN(c3ccc(F)cc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.8488694
40320,COc1cc2c(cc1C(C)C)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7637651
40321,COc1cc2c(cc1CC#Cc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7566327
40322,COc1cc2c(cc1OCc1ccc(C#N)cc1)C1Cc3cccc(CO)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6754076
40323,COc1ccc(COc2cc3c(cc2OC)CCN2Cc4c(cccc4Oc4ccccc4)CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6181435
40324,COc1ccc(OCCC2CCCN(CCc3ccc(F)cc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4667381
40325,COc1ccc(OCCCS(=O)(=O)Cc2ccc(F)cc2)cc1CN(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.12413659
40326,COc1ccc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1OC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6340167
40327,COc1ccc(OCCN2CCC(Cc3ccc4ccccc4c3)CC2)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.67849493
40328,COc1ccc(OCCN2CCCC(CCc3ccc(F)cc3)C2)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.35903722
40329,COc1ccc(OCCN=S(C)(=O)O)cc1C(=O)COc1ccc2c(c1)CCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.17326373
40330,COc1ccc(OCCN=S(C)(=O)O)cc1NS(=O)(=O)Cc1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06283536
40331,COc1ccc(OCCOC(C)=O)cc1NCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.032442268
40332,COc1ccc(OCCS(C)(=O)=O)cc1C(F)Cc1cccnc1,[*]CCOc1ccc(O[*])c([*])c1,0.07682577
40333,COc1ccc(OCCS(C)(=O)=O)cc1CNCC1CCc2cc(OC)c(OC)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.3266119
40334,COc1cccc(CN2CCN(CCCCc3cnc(-c4ccccc4)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67434376
40335,COc1cccc(OC)c1-c1cccc2c1CN1CCc3cc(Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6330683
40336,COc1cccc2c1CN1CCc3cc(Cc4cccc5[nH]ccc45)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7498211
40337,COc1ccccc1CC1CCN(CCOc2ccc(OS(C)(=O)=O)c(C)c2)C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.27141178
40338,CS(=O)(=O)c1ccccc1N1CCN(CCN2CCC(CNC(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68201447
40339,Cc1cc(OCCF)ccc1OCN1CCC(S(=O)(=O)c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.46438953
40340,Cc1cc(OCCN2CCN(Cc3ccc(C(C)C)cc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.36898535
40341,Cc1cc(OCCN=S(C)(=O)O)ccc1ONCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.057503317
40342,Cc1cc(OCCNS(=O)(=O)c2ccc(C(C)C)cc2)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.03228297
40343,Cc1cc(OCCNS(=O)c2ccccc2C(C)C)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07437594
40344,Cc1cc(OCCOS(C)(=O)=O)ccc1ON1CCC(OC2CCCC2)=CC=C2C=CC(CC1)C2,[*]CCOc1ccc(O[*])c([*])c1,0.26267537
40345,Cc1cccc2c1CN1CCc3cc(O)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5582222
40346,N#Cc1cccc(-c2cccc3c2CN2CCc4cc(O)c(OCc5ccccc5)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56080055
40347,O=[N+]([O-])CCCN1CCN(Cc2cccc(Cc3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57921976
40348,OC1CCN(CCN2CCN(c3ccccc3-c3cc4ccccc4[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7148964
40349,Oc1cc2c(cc1C=COc1ccccc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65503967
40350,Oc1cc2c(cc1Cc1ccn[nH]1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7777527
40351,CC(=O)Cc1ccccc1N1CCN(CCOc2ccc(ONS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.68800104
40352,CC(=O)c1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1ccccc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27917862
40353,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3ccc4ncccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73382264
40354,CCCOOc1ccc(OCCC)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8334352
40355,CCCOc1ccc(OCN=S(C)(=O)O)c(NCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07723053
40356,CCCOc1ccc(OCl)c(N2CCC(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23477398
40357,CCCOc1ccc(ONCCc2ccccc2)c(NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.024370177
40358,CCCOc1ccc(OOC)c(C=Cc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15911855
40359,CCCOc1ccc(OS(N)(=O)=O)c(CC(=O)COc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2070238
40360,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30309674
40361,CCOc1ccccc1N1CCN(CCN2CCC(C(=O)N(C)Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7083963
40362,CCc1ccccc1OC1CCCN(CCOc2ccc(ONS(C)(=O)=O)c(C)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.41595218
40363,CN1CCN(CCNC(=O)c2ccc([O-])c(-c3ccccc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27197987
40364,COC1CCN(CCN2CCN(c3ccccc3-c3cc[nH]n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7612354
40365,COC1CCN(CCN2CCN(c3ccccc3-c3cccnc3-c3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74370265
40366,COCCCN1CCN(Cc2cccc(CSc3ccc(F)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5018548
40367,COc1cc2c(cc1-c1cccc3cccc(CO)c13)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6033769
40368,COc1cc2c(cc1NC(=O)Cc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.2226488
40369,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(CON)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71636623
40370,COc1cc2c(cc1O)CCN1Cc3c(cccc3[N+](=O)c3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6841525
40371,COc1cc2c(cc1OC)C1Cc3cccc(NC(=O)OCc4ccc(C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.25874537
40372,COc1cc2c(cc1OC)C1Cc3cccc(OC4CCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8028751
40373,COc1ccc(OCCCF)cc1N1CCC(COc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.40036485
40374,COc1ccc(OCCN)cc1CN1CCN(C(C)c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4713323
40375,COc1ccc(OCCN2CCC(C(F)(F)F)CC2)cc1NS(=O)(=O)C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4188516
40376,COc1ccc(OCCNC(C)=O)cc1CCOc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.111018464
40377,COc1ccc(OCCNCCc2ccc(F)cc2)cc1OCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.21841836
40378,COc1ccc2ccc(CC3CCN(CCOc4ccc(OS(C)(=O)=O)c(C)c4)CC3)cc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.49176538
40379,COc1cccc(CCNCCOc2ccc(ON=S(C)(=O)O)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14984512
40380,COc1cccc(CN2CCN(CCCC3COc4ccccc4O3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5901604
40381,COc1cccc(Cc2cccc3c2CN2CCc4cc(OC)c(OC(C)=O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38945484
40382,COc1cccc2c1CN1CCc3cc(-c4ccc(Br)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7167245
40383,COc1cccc2c1CN1CCc3cc(C([O-])c4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6159215
40384,COc1ccccc1-c1cc(C(=O)NCCN2CCN(C)CC2)ccc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31552067
40385,COc1ccccc1N1CCN(CCN2CCC(C(=O)C#Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8525377
40386,COc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8662059
40387,COc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3cc(Br)ccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70782804
40388,COc1ccccc1N1CCN(CCN2CCC(c3cc(-c4cccs4)no3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72236955
40389,COc1ccccc1NC1CCN(Oc2ccc(OCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25292638
40390,CSc1cccc(CNC(=O)Oc2ccc(OCCF)cc2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.013886732
40391,Cc1cc(OCCN2CCN(c3ccccc3OCCF)CC2)ccc1OBr,[*]CCOc1ccc(O[*])c([*])c1,0.7836739
40392,Cc1cc(OCCNCCc2ccccc2)ccc1OCS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.22145355
40393,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(Oc2ccc(C(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2182391
40394,Cc1cc(OCCNS(C)(=O)=O)ccc1ONc1ccc(C2CCNCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.11762565
40395,Cc1cc(OCCS(=O)(=O)N(C)C)ccc1ONCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.07585071
40396,Cc1cccc2c1CN1CCc3cc(-c4cccc5cc[nH]c45)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5856498
40397,O=CN1CCN(COc2ccc(OCCF)cc2-c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3706999
40398,Oc1cc2c(cc1OCC1CC1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7024126
40399,C#Cc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.690721
40400,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3ncc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8350814
40401,CCCOc1ccc(OC)c(CN2CCN(Cc3cccc(C(=O)NC)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24057934
40402,CCCOc1ccc(OCl)c(NC(=O)COc2ccccc2N2CCNCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18474768
40403,CCCOc1ccc(ON)c(N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.73755866
40404,CCCOc1ccc(ON=S(C)(=O)O)c(CCCc2ccccc2OC2CCNC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18473199
40405,CCCOc1ccc(OS(C)(=O)=O)c(CCc2ccccc2F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1194185
40406,CCCOc1ccc(OS(N)(=O)=O)c(N2CCN(c3cccc(Cl)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34148
40407,CCCc1ccccc1S(=O)(=O)Cc1cc(OCCF)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.17905043
40408,CCOc1cccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6164154
40409,CCOc1ccccc1N1CCN(CCN2CCC(c3cnc4ccccn34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73611593
40410,CCOc1ccccc1N1CCN(CCN2CCC(n3ccnc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8126826
40411,CCc1cc2c(cc1-c1ccccc1C)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58052576
40412,COC(=O)Oc1ccc(OCCN2CCC(Cc3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.35575584
40413,COC1CCN(CCN2CCN(c3ccccc3-c3cc(O)ncc3-c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68271315
40414,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3cccc4ccc(O)cc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.42175412
40415,COCc1cc2c(cc1OC)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6739256
40416,CON1CCN(CCNC(=O)c2ccc(C)c(-c3ccccc3C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30806825
40417,COOc1ccc(OCCNC(=O)c2cccc(C3CCN(C)CC3)c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.22323485
40418,COc1cc2c(cc1-c1ccn(C)c1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73137534
40419,COc1cc2c(cc1O)C1Cc3cccc(ON(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8007604
40420,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cnc4ccccc4c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62867796
40421,COc1cc2c(cc1OCc1ccc3ccccc3c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7138174
40422,COc1ccc(COc2cc3c(cc2OC)CCN2Cc4c(cccc4C(=O)c4ccccc4)CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43855718
40423,COc1ccc(OCCCN2CCC(Cc3ccc4ccccc4n3)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.55252343
40424,COc1ccc(OCCN(C)C)cc1N1CCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3292265
40425,COc1ccc(OCCN2CCC(C)N(S(=O)(=O)c3ccc(F)cc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.66203004
40426,COc1ccc(OCCN2CCC(CCc3cccs3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.6221517
40427,COc1ccc(OCCN2CCCCC2c2ccc(F)cc2)cc1C(=O)NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.24676374
40428,COc1ccc(OCCN2CCN(C3=CC=CC=CC3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6226559
40429,COc1ccc(OCCNC(=O)Cc2ccc(OC3CCNCC3)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.04370449
40430,COc1ccc(OCCNC(=O)Cc2ccc3c(c2)CC(=O)CC3)cc1SC(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.048214816
40431,COc1ccc(OCCOCC(C)=O)cc1CNCC1CCc2cc(OC)c(OC)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.28226063
40432,COc1ccc(OCCS(C)(=O)=O)cc1CN1CCC(Oc2ccc(C)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3365877
40433,COc1ccc(OCCS(C)(=O)=O)cc1CSCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.09870054
40434,COc1ccc(OCCSC)cc1CN1CCN(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.769172
40435,COc1cccc(-c2cc(C(=O)NCCN3CCN(OC)CC3)ccc2C)c1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.19233535
40436,COc1cccc(CN2CCN(CCCCC(=O)c3ccc(F)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5911038
40437,COc1cccc(CN2CCN(CCCCCC(=O)N3CCCC3c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5512065
40438,COc1cccc(CN2CCN(CCCOc3ccc(OF)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.48899376
40439,COc1ccccc1N1CCN(CCOc2ccc(OCOCCF)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.77960885
40440,CSc1ccc(CN2CCN(Oc3ccc(OCCNC(C)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.26085663
40441,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)CC(=O)CC3)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.049837045
40442,Cc1cc(OCCNCCc2ccc3c(c2)CC(=O)CC3)ccc1OCS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1814242
40443,Cc1ccccc1N1CCN(CCN2CCC(c3ccc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6291236
40444,Cn1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75062096
40445,N#Cc1ccc2[nH]c(Cc3cccc4c3CN3CCc5cc(O)c(O)cc5C3C4)cc2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.608417
40446,Oc1cnc(C2CCN(CCN3CCN(c4ccccc4F)CC3)CC2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.61746925
40447,CCCC(=O)c1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6261047
40448,CCCC1(c2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)CCCC1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6913545
40449,CCCOc1ccc(ON2CCC(C(=O)c3cc(C)ccc3OCC)CC2)c(OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12606697
40450,CCCOc1ccc(ON2CCC(CCc3ccccc3)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3786665
40451,CCCOc1ccc(ON2CCN(C(=O)c3ccc(F)cn3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06591438
40452,CCCOc1ccc(OOC(C)=O)c(N2CCC(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1955093
40453,CCCOc1ccc(OS(C)(=O)=O)c(-c2ccc(NC(C)=O)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.02815991
40454,CCCOc1ccc(OS(C)(=O)=O)c(C2CCCN(CC)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3936277
40455,CCCOc1ccc(OS(C)(=O)=O)c(CCCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11653566
40456,CCCOc1ccc(OS(C)(=O)=O)c(NCc2ccc(OCC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.051061366
40457,CCCOc1ccc(OS(N)(=O)=O)c(CNCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13471165
40458,CCOc1cc2c(cc1OCc1ccc(OC)cc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7062979
40459,CCOc1cccc2c1CN1CCc3cc(OC)c(Oc4cccc(C)c4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6741997
40460,COCCCN1CCN(Cc2cccc(CNC(=O)C3c4ccccc4Cc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.512367
40461,COCCOc1ccc(OC)c(C2CC(c3ccc(F)cc3)CCN2CCF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.47142756
40462,COCCOc1ccc(OC)c(N2CCCC(c3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37531736
40463,COOc1ccc(OCCN2CCN(C(=O)c3cccc(F)c3F)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.21821216
40464,COOc1ccc(OCCNC(=O)C2=CC3=CC=CC=CCSC(=C3)C=C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.032776017
40465,COc1cc2c(cc1NC(=O)OCc1ccccc1)C1Cc3cccc(C#N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34155047
40466,COc1cc2c(cc1O)C1Cc3cccc(CNc4ccccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5326286
40467,COc1cc2c(cc1O)CCN1Cc3c(cccc3OC(=O)C(F)(F)F)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5475325
40468,COc1ccc(C(=O)NCCN2CCN(OS(C)(=O)=O)CC2)cc1-c1cccc(Cl)c1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.28813103
40469,COc1ccc(C(=O)NCCN2CCN([N+](=O)[O-])CC2)cc1-c1ccccc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3111267
40470,COc1ccc(OCCC(=O)CO)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6953836
40471,COc1ccc(OCCCN2C(=O)Cc3ccccc3C2=O)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.30603915
40472,COc1ccc(OCCCN=O)cc1N1CCN(c2cccc(C(F)(F)F)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.26998007
40473,COc1ccc(OCCN(C)C)cc1CNCC1CCc2c(cccc2OC)C1,[*]CCOc1ccc(O[*])c([*])c1,0.6078385
40474,COc1ccc(OCCN)cc1N1CCC(CC(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28878027
40475,COc1ccc(OCCNC(=O)Cc2ccc3c(c2)OC(=O)CC3)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09726423
40476,COc1ccc(OCCNC(=O)c2cccc(N3CCNC3)c2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.12546483
40477,COc1ccc(OCCNS(=O)(=O)c2cccc(OCC(F)(F)F)c2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.08766279
40478,COc1ccc(OCCS(C)(=O)=O)cc1-c1ccc(OCC2CCCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.11611749
40479,COc1ccc2ccc(C(=O)Nc3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)cc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4437792
40480,COc1ccc2ccc(CC3CCCN(CCOc4ccc(OSC)c(C)c4)C3)cc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.40852037
40481,COc1cccc(CCCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7167311
40482,COc1cccc(CN2CCN(CCCNc3cccc(OC)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.38971704
40483,COc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccc(Cl)cc4)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8658841
40484,Cc1cc(OCCS(=O)(=O)N(C)C)ccc1ON1CCN(CCc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4480543
40485,O=C(NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)c1cccnn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80041873
40486,O=C(NCC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)c1cc2ccccc2o1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7216166
40487,O=C(Nc1c(Cl)cccc1Cl)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4562601
40488,O=C(c1cccc(CN2CCN(CCCF)CC2)c1)c1cc2ccccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58772236
40489,Oc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(cccc3-c3cccc(C(F)(F)F)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53355414
40490,Oc1cccc2c1CN1CCc3cc(NCc4cccc(F)c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5869181
40491,Oc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccc(F)cc4)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74039227
40492,C#Cc1cccc2c1CN1CCc3cc(Cl)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6880728
40493,CC(C)c1ccccc1N1CCN(CCN2CCC(c3cccc(O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7735336
40494,CC(O)c1ccccc1N1CCN(CCN2CCC(n3c(O)nc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6270912
40495,CCCOc1ccc(ON2CCC(C(=O)O)CC2)c(N2CCC(Oc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20210816
40496,CCCOc1ccc(OOC)c(CCN2CC=C(c3ccccc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.56214374
40497,CCCOc1ccc(OOC)c(N2CCN(Cc3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8451948
40498,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCN(c3ccc(OC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2131198
40499,CCCOc1ccc(OSC)c(C2CCC(COc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3257931
40500,CCN(CCOc1ccc(OC)c(S(C)(=O)=O)c1)CCC1CCC1Cc1cc2ccccc2s1,[*]CCOc1ccc(O[*])c([*])c1,0.24315865
40501,CCOc1ccccc1C1CCN(c2cc(OCCCN=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2150552
40502,CCOc1ccccc1CCOc1ccc(OOC)c(CCCF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19387065
40503,CN1CCN(CCNC(=O)c2ccc(F)c(-c3ccccn3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.34684175
40504,COC1CCN(CCN2CCN(c3ccccc3OC(F)(F)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81995773
40505,COc1cc2c(cc1C(=O)NCc1cccc(CO)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4327549
40506,COc1cc2c(cc1N=S(O)(O)=CCF)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7151322
40507,COc1cc2c(cc1O)C1Cc3cccc(-c4c[nH]c5cc(C#N)ccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.656367
40508,COc1cc2c(cc1O)C1Cc3cccc(C(O)(F)F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8006677
40509,COc1cc2c(cc1O)CCN1Cc3c(CCNC(=O)c4ccc5ccccc5c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5071508
40510,COc1cc2c(cc1OC)C1Cc3cccc(-c4cccc(COc5ccccc5)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58822685
40511,COc1cc2c(cc1OC)C1Cc3cccc(-c4cccc(N=S(C)(=O)O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5784243
40512,COc1ccc(OCCC(=O)CCc2ccccc2)cc1CN=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.03561981
40513,COc1ccc(OCCCCCc2ccc(F)cc2)cc1CS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.07863978
40514,COc1ccc(OCCCCCc2ccc3c(c2)NC(=O)CCC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.25102937
40515,COc1ccc(OCCN2CCC(Cc3ccc(F)cc3)C2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5073587
40516,COc1ccc(OCCNC(=O)Cc2cccnc2)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.54074025
40517,COc1ccc(OCCSC)cc1N1CCC(c2cccc(C(C)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19810522
40518,COc1cccc(CN2CCN(CCCCc3csc(-c4ccccc4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68574584
40519,COc1cccc(CN2CCN(CCCN3Cc4ccccc4S3(=O)=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6717178
40520,COc1cccc2c1CN1CCc3cc(N=C[N+](O)=CO)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6835336
40521,COc1cccc2c1CN1CCc3cc(OC(=O)Nc4cccc5ccccc45)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3543612
40522,COc1ccccc1-c1cc(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.24733071
40523,COc1ccccc1N1CCN(CCN2CCC(N3C(=O)CCc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8305467
40524,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cccc(Cl)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.89180005
40525,COc1ccccc1N1CCN(CCN2CCC(c3cc4ccccc4[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79286176
40526,COc1ccccc1NC(=O)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38018608
40527,CSOc1ccc(OCCCN2CCC(c3ccc(SC)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.7336706
40528,Cc1cc(OCCCS(C)(=O)=O)ccc1OCCOc1ccc(C(F)(F)F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.09456273
40529,Cc1cc(OCCNC(=O)c2ccc(F)c(F)c2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.011877995
40530,Cc1cc(OCCc2ccc(F)cc2)ccc1OCN1CCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5015193
40531,Cc1cccc2c1CN1CCc3cc(-c4c[nH]c5ccccc45)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.630819
40532,Cc1cccc2c1CN1CCc3cc(O)c(-c4cccc(CO)c4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5351808
40533,Cc1cccc2c1CN1CCc3cc(O)c(S(C)(=O)=O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5708329
40534,Nc1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)n1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6092571
40535,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)C1Cc2ccccc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6800791
40536,O=S(=O)(Nc1cccc(CN2CCN(CCCCl)CC2)c1)c1cc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51084894
40537,OCc1cc2c(cc1O)CCN1Cc3c(CO)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67089856
40538,Oc1cc2c(cc1-c1cc3ccccc3[nH]1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6948733
40539,Oc1cc2c(cc1-c1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7508663
40540,CCCNC(=O)Nc1cc2c(cc1O)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32862502
40541,CCCOc1ccc(OC(=O)OC)c(N2CCCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13415438
40542,CCCOc1ccc(OCCCc2ccncc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10491304
40543,CCCOc1ccc(OS(=O)(=O)O)c(N2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20551427
40544,CCNC(=O)c1ccc(S(=O)(=O)Nc2cc(OCCF)ccc2OC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.014452457
40545,CCOc1ccccc1N1CCN(COc2ccc(OCCOC(C)=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.47468677
40546,CCc1ccc(S(=O)(=O)NCCOc2ccc(OC)c(NS(C)(=O)=O)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.047186345
40547,CNCCc1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74045306
40548,CNc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63606554
40549,COCCCN1CCN(Cc2cccc(CN3c4ccccc4CC3C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.670681
40550,COCCCN1CCN(Cc2cccc(CNC(=O)c3cc4ccccc4cc3O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4148147
40551,COCCOc1ccc(OC)c(N2CCN(c3ccc(F)cc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31097227
40552,COOc1ccc(OCCc2ccc(F)cc2)cc1CCN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8526791
40553,COc1cc2c(cc1-c1ccc(O)c3ccccc13)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6916332
40554,COc1cc2c(cc1O)CCN1Cc3c(cccc3OC(=O)c3ccc4[nH]ccc4c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49272898
40555,COc1cc2c(cc1OC)C1Cc3cccc(C4CCOCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7060912
40556,COc1cc2c(cc1OC)C1Cc3cccc(C=Cc4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7520024
40557,COc1cc2c(cc1OC)C1Cc3cccc(C[N+](=O)Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71173704
40558,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(cccc3[N+]C(C)=O)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5175752
40559,COc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1cccc(C)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.21264648
40560,COc1ccc(Cc2cccc3c2CN2CCc4cc(OC)c(CO)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60110307
40561,COc1ccc(NC(=O)c2cc3c(cc2OC)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34012735
40562,COc1ccc(OCCC(N)=O)cc1CCOc1cccc2ccc(F)cc12,[*]CCOc1ccc(O[*])c([*])c1,0.032585382
40563,COc1ccc(OCCN2CCC(Oc3ccc4c(c3)CNC(=O)CC4)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6127434
40564,COc1ccc(OCCN2CCN(Cc3cccc(Cl)c3)CC2)cc1S(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.45833609
40565,COc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1CN1CCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.098393485
40566,COc1ccc(OCCSC)cc1N1CCC(C(=O)c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18644263
40567,COc1ccc2c(c1)NC(c1ccccc1N1CCN(CCN3CCC(OC)CC3)CC1)CC2,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7182082
40568,COc1cccc(COc2ccc(OCCN3CCN(c4ccccc4OC)CC3)cc2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8256269
40569,COc1cccc2c1CN1CCc3cc(C)c(-c4cccn4C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6690321
40570,COc1ccccc1C1CCN(CCOc2ccc(OOS)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.69838905
40571,COc1ccccc1N1CCN(CCN2CCC(NC(=O)C3CCCCC3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75844085
40572,CS(=O)(=O)NCc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.458577
40573,CSc1ccccc1N1CCN(CCN2CCC(NC(=O)Nc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5912274
40574,Cc1cc(OCCF)ccc1OCNCC1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2988038
40575,Cc1cc(OCCN2CCN(CCc3cccc(F)c3)C2=O)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3096637
40576,Cc1cc(OCCS(C)(=O)=O)ccc1OC(=O)COc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.025805464
40577,Cc1ccc(-c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)[nH]1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63515145
40578,Cc1cccc(CC(=O)NCCOc2ccc(ON(C)C)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.015663862
40579,Cc1ccccc1N1CCN(CCN2CCC(n3ccc(-c4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6811496
40580,Cc1ccccc1N1CCN(CCN2CCC(n3nccc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6294802
40581,NC(=O)c1cc2c(CCCN3CCN(Cc4cccc(Cl)c4)CC3)cccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5233711
40582,NOc1cccc2c1CN1CCc3cc(OCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.733703
40583,O=C(NCCN1CCN(Cl)CC1)c1ccc(Cl)c(-c2ccccn2)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.4214142
40584,O=S1(=O)c2ccccc2-c2c(-c3cccc(CN4CCN(CCCCl)CC4)c3)cccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.625137
40585,Oc1cccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69832945
40586,c1ccc(-c2ccccc2N2CCN(CCN3CCC(c4ncccn4)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8260794
40587,C=Cc1ccccc1OC1CCN(CCOc2ccc(OC)c(NS(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5760555
40588,CC(=O)c1ccc(CCCOc2ccc(ON3CCN(C)CC3)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.14677764
40589,CC(C)c1ccccc1N1CCN(CCN2CCC(C(=O)Nc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5170293
40590,CC1CCc2ccccc2N1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7409499
40591,CCCCn1cc(CCOc2ccc(OC)c(N=S(C)(=O)O)c2)nn1,[*]CCOc1ccc(O[*])c([*])c1,0.05985941
40592,CCCOc1ccc(OC(N)=O)c(CNCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09313108
40593,CCCOc1ccc(OCCCc2ccccc2)c(NS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.111667946
40594,CCCOc1ccc(ON)c(CNC(=O)c2ccc(CCC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03570374
40595,CCCOc1ccc(ONC(C)=O)c(N2CCC(c3ccc(F)cc3)CC2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16685551
40596,CCCOc1ccc(ONC)c(NCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12609644
40597,CCCOc1ccc(ONS(C)(=O)=O)c(C(C)COc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06411296
40598,CCc1cc2c(cc1OCc1cccc(OC)c1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60814786
40599,CCc1cccc2c1CN1CCc3cc(OCc4ccc(CO)cc4)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69891727
40600,CCc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78986996
40601,CNC(=O)c1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5714837
40602,COC(=O)Cc1ccc(C2CCN(Oc3ccc(OCCNS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.113468066
40603,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccn(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.41007566
40604,COCCOc1ccc(OC)c(N2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3300233
40605,COc1cc2c(cc1Cc1cccc(C=O)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69407225
40606,COc1cc2c(cc1O)C1Cc3cccc(-c4ccccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6732562
40607,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(CC=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6462392
40608,COc1ccc(OCCC(C)Cc2ccccc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10539028
40609,COc1ccc(OCCCN2CCN(Cc3cccc(SC)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6337956
40610,COc1ccc(OCCN2CC(c3ccc(Cl)cc3)CS(=O)(=O)C2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.31088728
40611,COc1ccc(OCCN2CCC(Cc3ccc4ccccc4c3)CC2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5733856
40612,COc1ccc(OCCN2CCN(c3ccccc3OC)CC2)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.8895472
40613,COc1ccc(OCCS(C)(=O)=O)cc1CCCc1ccc2c(c1)NC(=O)CCC2,[*]CCOc1ccc(O[*])c([*])c1,0.23303784
40614,COc1ccc(OCC[O-])cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7454107
40615,COc1ccc2nc(O)nc(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)c2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72507584
40616,COc1cccc(CN2CCN(CCCc3cc4ccccc4n(C)c3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56062454
40617,COc1cccc(CN2CCN(CCCc3ccc(-c4cccc(N)c4)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64401627
40618,COc1cccc(NCc2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7862214
40619,COc1cccc(OC2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81963855
40620,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cccs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8996725
40621,COc1ccccc1N1CCN(CCN2CCC(Oc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.90466493
40622,COc1ccccc1N1CCN(CCN2CCC(c3ccco3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85175806
40623,COc1ccccc1N1CCN(CCN2CCC(c3coc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7873027
40624,COc1ccccc1N1CCN(Oc2ccc(OCCCOc3ccc(F)cc3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28400576
40625,COc1ccccc1N1CCN(c2cc(OCCC=NO)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31779608
40626,CSc1ccc(C2CCN(Oc3ccc(OCCOS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.19528696
40627,Cc1cc(OCCNS(C)(=O)=O)ccc1OCCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.116189174
40628,Cc1ccc(OC2CCN(Oc3ccc(OCCCS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.21209249
40629,ClCCCN1CCN(Cc2cccc(Cc3nccs3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6664414
40630,FCCCN1CCN(Cc2cccc(Cc3cc4ccccc4s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63942987
40631,N#CC(=O)Nc1cccc(Cc2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36928686
40632,O=c1cc(-c2ccccc2)on1Cc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6241927
40633,Oc1cc2c(cc1-c1c[nH]c3ccccc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7432038
40634,Oc1cccc2c1CN1CCc3cc(ON=CC4CCCCN4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.635427
40635,CCCOc1ccc(ON2CCC(c3ccccc3F)CC2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3108004
40636,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(CCc3cc(SC)c4ccccc4c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26607037
40637,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3ccc(OC(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26127353
40638,CCCOc1ccc(OS(C)(=O)=O)c(NS(=O)(=O)Cc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07088993
40639,CCN(C(=O)Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2)c1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36649176
40640,CCOC1CCN(CCN2CCN(c3ccccc3-n3cc(-c4ccccc4)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7581521
40641,CCOc1cccc(-c2cccc3c2CN2CCc4cc(O)c(C)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42266217
40642,CNC(=O)c1cc(OCCCC(=O)c2ccc(SC)cc2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.04946306
40643,COC1CCN(CCN2CCN(c3ccccc3-n3c(-c4ccc(O)cc4)cnc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6802973
40644,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccc(C)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.39190298
40645,COOc1ccc(OCCCCSc2ccc(C(C)=O)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.04810534
40646,COc1cc2c(cc1C(=O)OCc1ccccc1)C1Cc3cccc(C(=O)O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44958645
40647,COc1ccc(C(F)(F)F)c(-c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63367075
40648,COc1ccc(OCCC2CCC(c3ccccc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.17180821
40649,COc1ccc(OCCCN2CCC(O)(c3ccc(C)cc3)CC2)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.5419078
40650,COc1ccc(OCCCNC(=O)c2ccc(CCCF)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.039267585
40651,COc1ccc(OCCN2CCC(O)(c3ccc(F)c(F)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.49990553
40652,COc1ccc(OCCN2CCCCC2)cc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.22239718
40653,COc1ccc(OCCN2CCCN(c3ccc(Cl)cc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.86373645
40654,COc1ccc(OCCN2CCN(c3ccccc3OC(C)C)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6975602
40655,COc1ccc(OCCNCCc2cccc3c2CCCC3)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.19797218
40656,COc1ccc(OCCNS(C)(=O)=O)cc1CNCC1CCCC(C(=O)O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.061801814
40657,COc1ccc(OCCO)cc1CC(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.04324816
40658,COc1ccc(OCC[SH](C)C)cc1C(C)COc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.11900444
40659,COc1cccc(CN2CCN(CCCc3csc(=O)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5746283
40660,COc1cccc(CNCc2cc3c(cc2OC)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5160638
40661,COc1cccc2c1CN1CCc3cc(-c4cccc([N+](=O)O)c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5838575
40662,COc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccccc4)c(N)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77586573
40663,COc1ccccc1N1CCN(CCN2CCC(c3ncc(-c4ccccc4)[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8584495
40664,COc1ccccc1NC(=O)Nc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32502976
40665,CSOc1ccc(OCCN2CCC(NS(=O)(=O)c3ccc(Cl)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.55512184
40666,CSS(=O)(=O)Oc1ccc(OCCNCc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.26684204
40667,CSc1cccc(CN2CCN(CCCN3C(=O)S(=O)(=O)c4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6857567
40668,Cc1cc(OCCF)ccc1OCN1CCN(c2cccc(Cl)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.522227
40669,Cc1cc(OCCN)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.054397654
40670,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)NC(=O)CC3)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.04413354
40671,Cc1cc2c(cc1C)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6874095
40672,Cc1ccccc1N1CCN(CCN2CCC(n3c(O)nc4ccc(F)cc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6738571
40673,ClC1CCN(CCN2CCN(c3ccccc3Cc3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74600816
40674,FC(F)(F)c1ccccc1N1CCN(CCN2CCC(NCc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83502865
40675,FCCCN1CCN(Cc2cccc(-n3ccc(-c4ccccc4)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6714916
40676,O=C(NCc1cccc(F)c1)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45545733
40677,O=C(c1cccs1)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49569023
40678,O=Cc1ccc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)nc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76525813
40679,O=S(=O)(NCc1cccc(CN2CCN(CCCF)CC2)c1)c1cc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61465085
40680,OC1(CCCN2CCN(Cc3cccc(Cl)c3)CC2)CCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7332627
40681,OCc1cc2c(cc1O)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67089856
40682,Oc1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)n1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5974455
40683,Oc1cccc2c1CN1CCc3cc(OCc4ccccc4)c(Br)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7763089
40684,C=CC1Cc2ccccc2N1C(=O)c1cccc(CN2CCN(CCCC)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62637645
40685,CC(C)c1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73320556
40686,CCCOc1ccc(OCN2CCN(CCC)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.44200096
40687,CCCOc1ccc(ON=S(C)(=O)O)c(NCCc2ccc3c(c2)CCCC(=O)O3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1235729
40688,CCCOc1ccc(OS(C)(=O)=O)c(C2CC(c3ccc(F)cc3)CCN2CCF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.45547312
40689,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(O)(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21437116
40690,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3ccc(CC(C)=O)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15408882
40691,CCCOc1ccc(OS(C)(=O)=O)c(NS(=O)(=O)c2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08986338
40692,CCCOc1ccc(Oc2ccc(OCC(F)(F)F)cc2)c(NC(=O)OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.014017295
40693,COC1CCN(CCN2CCN(c3ccccc3-n3cc(-c4ccc(Br)cc4)c(O)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6299364
40694,COC1CCN(CCN2CCN(c3ccccc3-n3cc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68650675
40695,COC1CCN(CCN2CCN(c3ccccc3C(O)c3ccc4c(c3)OCO4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6173044
40696,COC1CCN(CCN2CCN(c3ccccc3OC(=O)c3cnc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65172607
40697,COCCCN1CCN(Cc2cccc(N3CCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60728323
40698,COCc1cccc(CN2CCN(CCCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6981122
40699,COc1cc2c(cc1C#N)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7348913
40700,COc1cc2c(cc1O)C1Cc3cccc(C(=O)OCc4ccc([N+](=O)[O-])cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42046124
40701,COc1cc2c(cc1OC)C1Cc3cccc(Cc4c[nH]c5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7306347
40702,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc(NC=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5129148
40703,COc1ccc(Br)c(C(=O)NC2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)c1OC,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72869897
40704,COc1ccc(C(=O)NC2CCN(CCN3CCN(c4ccccc4[N+](=O)[O-])CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.569317
40705,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.28355128
40706,COc1ccc(OCCCN2CCC(c3cccc(C(F)(F)F)c3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.7257984
40707,COc1ccc(OCCN2CCCC(Cc3ccc(Cl)cc3)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.47338253
40708,COc1ccc(OCCNS(=O)(=O)c2cccc(C(C)C)c2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.087203436
40709,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(Cc2ccc3c(c2)NC(=O)CC(=O)C3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.32176986
40710,COc1ccc2c(c1)CC(CNOc1ccc(OCCNS(C)(=O)=O)cc1C)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.34704873
40711,COc1cccc(CN2CCN(CCCC3Cc4ccccc4N(C)S3(=O)=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72324854
40712,COc1cccc(CN2CCN(CCCN3CC(C)c4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69615084
40713,COc1cccc2c1CN1CCc3cc(C)c(OCc4ccncc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6354762
40714,COc1ccccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1C(F)(F)F,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.37356314
40715,COc1ccccc1C1=CCN(CCOc2ccc(ON)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5227219
40716,COc1ccccc1CCc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.82055885
40717,COc1ccccc1CNCc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5674032
40718,COc1ccccc1N1CCN(CCN2CCC(COc3cc(O)nc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7810201
40719,CSOc1ccc(OCCNCCc2ccc3c(c2)NC(=O)CO3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.14746861
40720,Cc1cc(OCCCN2CCCC(c3ccccc3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.51485234
40721,Cc1cc(OCCOS(C)(=O)=O)ccc1ON1CCC(Cc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.30529177
40722,Cc1ccccc1N1CCN(CCN2CCC(COc3ccc4ccc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6142527
40723,N#Cc1ccc(OCC(=O)c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49966645
40724,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)c1cnc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60322684
40725,O=C(c1cccc(CN2CCN(CCCOCCF)CC2)c1)c1cc2ccccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53830934
40726,O=S(=O)(CCCN1CCN(Cc2cccc(F)c2)CC1)c1cccs1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58554417
40727,O=[N+]([O-])C1CCN(CCN2CCN(c3ccccc3NCC3CCc4ccc(O)cc4O3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.46960726
40728,OC1CCN(CCN2CCN(c3ccccc3OC(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80762386
40729,OCc1ccccc1N1CCN(CCN2CCC(Nc3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7849918
40730,Oc1cccc2c1CN1CCc3cc(C4CCC4O)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.755528
40731,CC(=O)c1ccccc1C1CCN(CCOc2ccc(OS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5379695
40732,CCCOc1ccc(OC)c(CC2CCN(CCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6937301
40733,CCCOc1ccc(OCN2CCC(C(=O)O)(c3ccc(Cl)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24595815
40734,CCCOc1ccc(ON)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.756303
40735,CCCOc1ccc(OOC)c(N2CCN(c3ccccc3OCCF)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4725796
40736,CCOc1cccc2c1CN1CCc3cc(OCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67856264
40737,CN(c1ccccc1)c1cc2c(cc1O)C1Cc3cccc(Br)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8193626
40738,CN1CCN(CCNC(=O)c2ccc(N)c(-c3ccccc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.40102968
40739,CNC(=O)NCc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5303156
40740,COC1CCN(CCN2CCN(c3ccccc3-n3c(O)nc4cc(O)ccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70811397
40741,COCCOc1ccc(OC)c(N2CCCC(CCc3ccccc3O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2684876
40742,COCCOc1ccc(OCF)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08451567
40743,COCCOc1ccc(OCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4990927
40744,COc1cc2c(cc1Cl)C1Cc3cccc(C=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7511586
40745,COc1cc2c(cc1O)C1Cc3cccc(NC(C)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40054518
40746,COc1cc2c(cc1OC)C1Cc3cccc(N(C)S(C)(=O)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74913645
40747,COc1cc2c(cc1OCc1ccc(CO)cc1)C1Cc3cccc(Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5996415
40748,COc1cc2c(cc1OCc1cccc(NC(C)=O)c1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.2527913
40749,COc1ccc(-c2cc3c(cc2CO)CCN2Cc4c(cccc4OC)CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6892827
40750,COc1ccc(-c2ccccc2N2CCN(CCN3CCC(c4ccccc4)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7833381
40751,COc1ccc(OC)c(C(=O)c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54294395
40752,COc1ccc(OCCC2CCN(S(=O)(=O)c3ccccc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.16822119
40753,COc1ccc(OCCCN2CCCC2)cc1-c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.53575116
40754,COc1ccc(OCCN(C)C)cc1N1CCN(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3631046
40755,COc1ccc(OCCN2CCC(C(F)(F)F)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5780809
40756,COc1ccc(OCCN2CCCC(c3ccc(F)cc3)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5781539
40757,COc1ccc(OCCNC2CCC(c3ccccc3C(F)(F)F)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.24472246
40758,COc1ccc(OCCNS(=O)(=O)c2cccc(F)c2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.101246156
40759,COc1ccc(OCCNS(C)(=O)=O)cc1NCc1ccsc1,[*]CCOc1ccc(O[*])c([*])c1,0.053010236
40760,COc1ccc(OCCS(C)(=O)=O)cc1C=CCc1ccccc1OC1CCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.20028792
40761,COc1ccc(OCCS(N)(=O)=O)cc1N1CCC(C(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20506433
40762,COc1cccc(CN2CCN(CCCCc3ccc4sccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7044706
40763,COc1cccc2c1CN1CCc3cc(CNOCc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64532036
40764,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(OC)CC2)cc1O[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32628593
40765,COc1ccccc1N1CCN(CCN2CCC(C3(C)C(=O)Nc4cc(F)ccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8382492
40766,COc1ccccc1N1CCN(CCN2CCC(c3ccc4ncc(Cl)cc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73319066
40767,COc1ccccc1N1CCN(CCN2CCC(c3ccsc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83980155
40768,COc1ccccc1N1CCN(CCN2CCC(c3cncc4ccc(F)cc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81388724
40769,Cc1cc(OCCN2CCN(c3ccc(CCC(F)F)cc3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.56280875
40770,Cc1cc(OCCN2CCNC(CCc3ccccc3)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3899057
40771,Cc1cc(OCCN=S(C)(=O)O)ccc1OC(F)Cc1ccc(OC2CCCCN2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.0882204
40772,Cc1cc(OCCNCc2ccccc2)ccc1ON1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.41876823
40773,Clc1cccc(CN2CCN(CCCC3OCOc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.551548
40774,FC(F)(F)Oc1ccccc1N1CCN(CCN2CCC(c3cc4ccccc4o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81300837
40775,Fc1ccc(CNC2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8219518
40776,Fc1ccc(F)c(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8402662
40777,O=C(CCCN1CCN(Cc2cccc(F)c2)CC1)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6508165
40778,Oc1cccc2c1CN1CCc3cc(N=[SH]c4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63154966
40779,CCCN(C)c1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7912208
40780,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCCC(c3ccc(Cl)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21003166
40781,CCCOc1ccc(OOC)c(N2CCC(F)(S(=O)(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15909187
40782,CCCOc1ccc(OS(C)(=O)=O)c(CCCc2ccc(C3CCCNC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1975433
40783,CCCOc1ccc(OS(C)(=O)=O)c(CN2CCC(Oc3ccc(CC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.41292143
40784,CNC(=O)c1ccc(C(=O)NCC2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7551893
40785,CNC(=O)c1cccc(Cc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4035101
40786,COC(=O)C1=CCN(Cc2cc(OCCCc3ccc(F)cc3)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2891518
40787,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccc(-c4ccc(O)nc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.46248794
40788,COCCCN1CCN(Cc2cccc(C3=CC(=O)CC3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5557582
40789,COCCCN1CCN(Cc2cccc(C3CCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6856711
40790,CON1CCN(CCNC(=O)c2ccc([O-])c(-c3cccc(C)c3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26699933
40791,CON=Cc1cccc2c1CN1CCc3cc(C)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6180285
40792,COOc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCCS4)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5247308
40793,COOc1ccc(OCCN2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6277059
40794,COOc1ccc(OCCc2ccc(F)cc2)cc1C(C)Cc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.15203157
40795,COc1cc2c(cc1-c1c(C)cccc1C)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73258334
40796,COc1cc2c(cc1-c1cc[nH]n1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63534176
40797,COc1cc2c(cc1CNCCc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6572845
40798,COc1cc2c(cc1Cc1ccc(N)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6939086
40799,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)OCc3ccc(Oc4ccccc4)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4409429
40800,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)c4c[nH]c5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5044252
40801,COc1ccc(OCCCN2CCC(c3ccccc3)CC2)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.75303954
40802,COc1ccc(OCCCS(N)(=O)=O)cc1NC(=O)Cc1ccc2c(c1)CC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.07448713
40803,COc1ccc(OCCN2CCC(c3ccccc3OC)CC2)cc1Br,[*]CCOc1ccc(O[*])c([*])c1,0.7973615
40804,COc1ccc(OCCN2CCOC(CCc3ccc(F)cc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.38991514
40805,COc1ccc(OCCOCc2ccccc2)cc1S(=O)(=O)N(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.12933028
40806,COc1ccc(OCCSC)cc1N1CCC(CC(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24698101
40807,COc1cccc(CN2CCN(CCCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72291994
40808,COc1cccc(CN2CCN(CCCc3ncc(-c4ccccc4)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5690603
40809,COc1cccc2c1CN1CCc3cc(Cc4ccc(C=O)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.589719
40810,COc1ccccc1-c1cc(C(=O)NCCN2CCN(C)CC2)ccc1Br,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33173546
40811,COc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3ccccc3C#N)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8520041
40812,CSOc1ccc(OCCN2CCC(Oc3ccc(C(N)=O)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.437191
40813,Cc1cc(OCCN2CCC(c3ccc(Cl)cc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5850748
40814,Cc1cc(OCCN2CCCC(Cc3ccc4ccccc4c3)C2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.32678598
40815,Cc1cc(OCCNCCc2ccc3c(c2)OC(=O)CC3)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.19770196
40816,Cc1cc(OCCNCc2ccc(F)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.140587
40817,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCC(COc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19103439
40818,Cc1cn(-c2cccc(CN3CCN(CCCC(F)(F)F)CC3)c2)c(=O)oc1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.548371
40819,FC(F)(F)CCCN1CCN(Cc2cccc(-c3c[nH]c4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59644806
40820,O=C(CCCN1CCN(Cc2cccc(F)c2)CC1)N1CCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51115304
40821,O=C1NCC=C1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6841447
40822,OC(=S)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65061015
40823,Oc1cc2c(cc1O)C1Cc3cccc(OC(F)(F)F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.82702655
40824,Oc1cccc2c1CN1CCc3cc(C=N[N+](O)c4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60117507
40825,CC(=O)NC1CCC(CCOc2ccc(ONS(C)(=O)=O)c(C)c2)c2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.06420337
40826,CCCOc1ccc(OF)c(N2CCC(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21612471
40827,CCCOc1ccc(ON=S(C)(=O)O)c(Cc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.060275137
40828,CCCOc1ccc(OOC)c(N2CCCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34487212
40829,CCCOc1ccc(OOC)c(N2CCN(c3ccc(F)cc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36251596
40830,CCCOc1ccc(OS(C)(=O)=O)c(CCc2ccc(F)cc2F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09960958
40831,CCCOc1ccc(OS(C)(=O)=O)c(CNC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.022056473
40832,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Oc3ccc(C(C)C)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.272368
40833,COC(=O)NCc1cc2c(cc1OC)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3546698
40834,COC(=O)Nc1cccc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6066596
40835,COC1CCN(CCN2CCN(c3ccccc3-c3cc4ccc(O)cc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6928538
40836,COCCCN1CCN(Cc2cccc(N3C(=O)CS(=O)(=O)c4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5976212
40837,COc1cc2c(cc1Cl)CCN1Cc3c(cccc3OCc3cccc(C#N)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58750033
40838,COc1cc2c(cc1O)C1Cc3cccc(OC(C)c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6921823
40839,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(CO)cc4[N+](=O)[O-])c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43921465
40840,COc1ccc(OCCCN2CCN(c3ccccc3OC(C)C)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.9513556
40841,COc1ccc(OCCN2CCC(c3ccc(S(C)(=O)=O)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5608506
40842,COc1ccc(OCCNC(=O)c2ccc(F)c(Cl)c2)cc1C(=O)C=Cc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.047340088
40843,COc1ccc(OCCNC(=O)c2cccc(C3CCCN3)c2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.07891466
40844,COc1ccc(OCCNCC2CCc3ccccc3C2)cc1S(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.2876006
40845,COc1ccc2[nH]cc(C(=O)Nc3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)c2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.34940156
40846,COc1cccc(CN2CCN(CCCC(O)c3ccc4ccccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61333424
40847,COc1cccc(CN2CCN(CCCC3=CCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6956006
40848,COc1cccc(CN2CCN(CCCCc3csc4ccccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.694587
40849,COc1cccc(CN2CCN(CCCc3cc4cccccc-4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7100624
40850,COc1cccc2c1CN1CCc3cc(C)c(C(=O)NCc4ccc(C)cc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3813831
40851,COc1ccccc1N1CCN(CCN2CCC(c3cccc(-c4cnco4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.89597476
40852,COc1ccccc1N1CCN(CCN2CCC(c3cnc4cccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82624847
40853,COc1ccccc1N1CCNCC1COc1ccc(OCCF)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.3289023
40854,CS(=O)(=O)NOc1ccc(OCCF)cc1N1CCC(Nc2ccc(CC3(O)CCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2393152
40855,CSc1ccc(S(=O)(=O)NOc2ccc(OCCCCSc3ccc(F)cc3)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07798646
40856,CSc1cccc2c1CN1CCc3cc(CN)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6282036
40857,CSc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccccn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74043787
40858,Cc1cc(OCCN2CCC(Cc3ccc(F)cc3)C2)ccc1ONS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.48134744
40859,Cc1cc(OCCN2CCC(c3ccc(F)cc3)CC2)ccc1OC(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5814527
40860,Cc1cc(OCCN2CCCC(Cc3ccccc3)C2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.368336
40861,Cc1cc(OCCNC(=O)COc2ccc3c(c2)NCCC3)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.051043037
40862,Cc1cc(OCCOS(C)(=O)=O)ccc1ON1CCCC(CCc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20989564
40863,Cc1cc2c(cc1C)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6850986
40864,Cc1cccc2c1CN1CCc3cc(C=NOc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5570471
40865,Cc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccncc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7228806
40866,FC(F)(F)c1cccc(CN2CCN(CCCc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.76067424
40867,N#Cc1ccc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c2ccccc12,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74904394
40868,O=C(CCCN1CCN(Cc2cccc(F)c2)CC1)Nc1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.32562962
40869,O=[N+]([O-])c1ccccc1N1CCN(CCN2CCC(c3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5164737
40870,C#Cc1ccccc1N1CCN(CCN2CCC(F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8130975
40871,CC(=O)C1Cc2ccccc2N1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5767907
40872,CC(=O)NOc1ccc(OCCN2CCN(CCc3ccc4c(c3)NC(=O)CC4)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.3083702
40873,CCCCN1CCN(Cc2cccc(N3CCCc4ccccc4C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66406405
40874,CCCOc1ccc(OC=O)c(N2CCC(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26546142
40875,CCCOc1ccc(ON2CCN(c3cccc(CC(F)(F)F)n3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30788225
40876,CCN(C(=O)CCCN1CCN(Cc2cccc(Cl)c2)CC1)C1CCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5606188
40877,CCOc1ccccc1N1CCN(CCN2CCC(Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78752613
40878,CN=S(=O)(O)CCOc1ccc(ON2CCC(Cc3ccc(F)cc3)C2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16392273
40879,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3cc4ccc3C=CC=C4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.35698673
40880,COCCOc1ccc(OC)c(N2CCC(c3noc4cc(F)ccc34)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38348132
40881,COCc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8247963
40882,COc1cc2c(cc1C#Cc1cccc(C(C)=O)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45923305
40883,COc1cc2c(cc1CO)C1Cc3cccc(-c4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5057349
40884,COc1cc2c(cc1NS(=O)(=O)c1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52748287
40885,COc1cc2c(cc1O)C1Cc3cccc([N+](=O)[O-])c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59244466
40886,COc1cc2c(cc1O)CCN1Cc3c(C=NOc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7687586
40887,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccccc4C=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6654291
40888,COc1cc2c(cc1OC)C1Cc3cccc(-c4ncccc4C#N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58775496
40889,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccco4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72383463
40890,COc1ccc(C(=O)NCCN2CCN(S(=O)(=O)O)CC2)cc1-c1ccccc1[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2680348
40891,COc1ccc(CC2CCN(Oc3ccc(OCCNS(C)(=O)=O)cc3C)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.21733688
40892,COc1ccc(NC(=O)c2cc3c(cc2OC)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.37265942
40893,COc1ccc(OCCCN2CCN(c3ccccc3)CC2)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.86426455
40894,COc1ccc(OCCF)cc1CNS(=O)(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.105071075
40895,COc1ccc(OCCNS(=O)(=O)c2ccc(F)cc2)cc1CC1CCCCN1,[*]CCOc1ccc(O[*])c([*])c1,0.10986005
40896,COc1ccc(OCCOCC(C)C)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.062223047
40897,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(C(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21601646
40898,COc1ccc2c(c1)CC(NCCOc1ccc(ONS(C)(=O)=O)c(C)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.4596841
40899,COc1cccc(CN2CCN(CCCC3CCCCN3C(=O)c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4408927
40900,COc1cccc(CN2CCN(CCCCc3ccccc3OC)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.76533085
40901,COc1cccc(CN2CCN(CCCS(=O)c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5594914
40902,COc1cccc2c1CN1CCc3cc(Cc4cccc(CO)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7255364
40903,COc1ccccc1N1CCN(CCN2CCC(c3cnc4ccc(Cl)cc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78634775
40904,COc1ccccc1N1CCN(CCN2CCC(c3nc(O)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.86439335
40905,CSc1ccc(COCOc2ccc(OCCF)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.101253785
40906,CSc1cccc2c1CN1CCc3cc(OCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67374176
40907,Cc1cc(OCCNS(=O)(=O)c2cc(F)ccc2F)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.044797838
40908,Cc1cc(OCCN[SH](C)(=O)c2ccccc2C=O)ccc1OF,[*]CCOc1ccc(O[*])c([*])c1,0.10405583
40909,ClC1CCN(CCN2CCN(c3ccccc3-c3ncnc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74322885
40910,Fc1cccc(CN2CCN(CCCCSc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62433964
40911,N#Cc1ccc(-c2cccc3c2CN2CCc4cc(O)c(CO)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5480102
40912,O=C(NCc1cccc(CN2CCN(CCCF)CC2)c1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.556759
40913,O=C(Nc1ccccc1N1CCN(CCN2CCC(O)CC2)CC1)c1ccncc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.43625462
40914,OC(F)(F)CCCN1CCN(Cc2cccc(-c3nc4ccccc4s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57992804
40915,OCc1cccc2c1CN1CCc3cc(C=NOCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7123981
40916,Oc1cc(-c2c[nH]c3ccccc23)c(O)n1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75264364
40917,Oc1nccn1C1CCN(CCN2CCN(c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6609807
40918,Oc1nn(Cc2cccc(CN3CCN(CCCCl)CC3)c2)cc1-c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5858685
40919,CC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccnc4ccc(O)cc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.56366426
40920,CCCCN1CCN(Cc2cccc(C#N)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62758046
40921,CCCCc1ccnc(CCOc2ccc(ON3CCN(C)CC3)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27775672
40922,CCCOc1ccc(ON2CCN(C)CC2)c(Cc2cccc(OCC)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.42348897
40923,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCCC(Oc3ccc(CCC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18370317
40924,CCCOc1ccc(OOC)c(CNC(=O)c2ccc3c(c2)CC(C)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4148355
40925,CCCOc1ccc(OS(C)(=O)=NO)c(N2CCC(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2405967
40926,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(CC3CCC3)=CC=C3C=CC(CC2)O3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.244034
40927,CCCOc1ccc(OSC)c(CC2CCc3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4399508
40928,CCOC(C)c1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7905223
40929,CCSc1ccccc1N1CCN(CCN2CCC(n3c(O)nc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64443296
40930,CN1CCN(COc2ccc(OCCF)cc2S(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.341636
40931,CNC(C)c1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.692437
40932,COC1=CC=C2C=C(CCN1)C(CCCNCCOc1ccc(OSC)c(C)c1)C2,[*]CCOc1ccc(O[*])c([*])c1,0.22253199
40933,COC1CCN(CCN2CCN(c3ccccc3-c3cccc(F)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8573117
40934,COCCCN1CCN(Cc2cccc(-c3cc4ccccc4oc3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62995356
40935,COCCCN1CCN(Cc2cccc(-c3ccc4ccc(S)nc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51657265
40936,COCCCN1CCN(Cc2cccc(Cc3ccc4occc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5738827
40937,COCCOc1ccc(OC)c(N2CCC(CCc3ccc(F)cc3)C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2910718
40938,COCc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6483989
40939,CON1CCN(CCNC(=O)c2ccc(-c3ccccc3Cl)c(O)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.40898937
40940,COc1cc2c(cc1Cc1cccc(C(F)(F)F)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7548968
40941,COc1cc2c(cc1O)CCN1Cc3c(cccc3ONCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.636139
40942,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(C=O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6855577
40943,COc1ccc(OCCN2CCC(Cc3ccc4ccccc4c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5754662
40944,COc1ccc(OCCN2CCCC(CCc3ccccc3)C2)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.37104934
40945,COc1ccc(OCCNCCc2ccc(F)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16874185
40946,COc1ccc(OCCS(C)(=O)=O)cc1NCc1ccccn1,[*]CCOc1ccc(O[*])c([*])c1,0.05433369
40947,COc1cccc(CN2CCN(CCCCOc3ccc4cc(C(N)=O)ccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5408679
40948,COc1cccc(CN2CCN(CCCn3cnc(-c4ccccc4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55874455
40949,COc1cccc(CN2CCN(CCOc3ccc(OC)c(S(C)(=O)=O)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4780191
40950,COc1cccc2c1CCC(NCCCCN1CCN(Cc3cccc(F)c3)CC1)C2,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63053304
40951,COc1cccc2c1CN1CCc3cc(C)c(C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7155029
40952,COc1ccccc1-c1cc(C(=O)NCCN2CCN(Cl)CC2)ccc1[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33217362
40953,COc1ccccc1N1CCN(CCN2CCC(c3cc(Br)ccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74766725
40954,COc1ccccc1N1CCN(CCN2CCC(c3ccc4c(c3)OCC(=O)N4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81842756
40955,COc1ccccc1N1CCN(CCN2CCC(n3c(O)cc4ccc(F)cc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.853139
40956,CSc1ccc(-c2cccc(CN3CCN(CCCF)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6466643
40957,Cc1cc(OCCNCCc2ccccc2)ccc1ON=S(C)O,[*]CCOc1ccc(O[*])c([*])c1,0.19603434
40958,Cc1cc(OCCNCc2ccccc2)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.30041233
40959,Cc1cccc(OCC(=O)NCCOc2ccc(ON3CCCC3)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.054483008
40960,Cc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccccc4)ncn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.595811
40961,ClCCCN1CCN(Cc2cccc(N3CCCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60514706
40962,Clc1cccc(CN2CCN(CCCc3ncc(-c4ccccc4)s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5994439
40963,Fc1cccc(CN2CCN(CCCc3ccc4sccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6532516
40964,O=C(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1cc(O)nc2ccccc12,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.39572316
40965,O=C(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1ccco1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.41885278
40966,O=Cc1cccc2c1CN1CCc3cc(O)c(CO)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5661756
40967,CC(=O)N=S(=O)(O)CCOc1ccc(ON2CCC(Oc3ccccc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10186472
40968,CC(=O)c1ccc(SCCCCOc2ccc(OS(N)(=O)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.041717835
40969,CCCOc1ccc(OC)c(CN2CCCC(NS(=O)(=O)c3ccc(Cl)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32528475
40970,CCCOc1ccc(OC)c(CSNC(=O)c2ccc(C)s2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.013121912
40971,CCCOc1ccc(OC)c(N2CCN(C(C)=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08253768
40972,CCCOc1ccc(OCl)c(NCCC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.030409059
40973,CCCOc1ccc(ON2CCCN(c3ccc(CC)cc3)CC2)c(C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22981288
40974,CCCOc1ccc(ON2CCN(C(=O)c3cccc(C(C)=O)c3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.065920666
40975,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(c3ccc(CCCF)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25735816
40976,CCCOc1ccc(OOC)c(NC(=O)c2cccc(N3CCNC3)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09711847
40977,CCOC(=O)Oc1ccc(OCCN2CCN(c3ccccc3OC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6072694
40978,CCOc1ccccc1N1CCN(CCOc2ccc(OC)c(OC)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.88427895
40979,CNC(=O)c1cccc(CN2CCN(Oc3ccc(OCCOC)cc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20115054
40980,CNS(=O)(=O)Oc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.014483982
40981,CNc1ccc(Cc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49737152
40982,COC1CCN(CCN2CCN(c3ccccc3C3OCCc4cc(C(N)=O)ccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7583027
40983,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3cccc4ccc(O)nc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.44559914
40984,COCCCN1CCN(Cc2cccc(N3C(=O)C(C)c4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57672054
40985,COCCOc1ccc(ON2CCN(c3cncc(C(F)(F)F)c3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26029822
40986,COc1cc2c(cc1O)C1Cc3cccc(-c4cccnc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63259643
40987,COc1cc2c(cc1O)C1Cc3cccc(O[N+](=O)C(C)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46514037
40988,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cccc4ccc(CO)cc34)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6654429
40989,COc1cc2c(cc1OCc1ccc(N(C)C)cc1)C1Cc3cccc(Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6826131
40990,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(CCO)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7746909
40991,COc1ccc(C2CCN(CCOc3ccc(OC)c(CS(C)(=O)=O)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.7121034
40992,COc1ccc(OCCCN)cc1N1CCC(C(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28175485
40993,COc1ccc(OCCCOc2ccc(C(C)C)cc2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.084517464
40994,COc1ccc(OCCN2CCC(C(=O)c3ccc(Cl)cc3F)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.52587056
40995,COc1ccc(OCCN2CCC(CC(=O)c3ccc(F)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5401285
40996,COc1ccc(OCCN2CCCCC2c2ccccc2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.47034973
40997,COc1ccc(OCCN=S(C)(=O)O)cc1NCC1CCc2ccc(cc2)CCC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.095310904
40998,COc1ccc(OCCSC)cc1N1CCN(c2cccc(OCC(F)(F)F)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3274401
40999,COc1cccc(CN2CCN(CCCCNC3Cc4ccccc4C3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.602956
41000,COc1ccccc1N1CCN(CCN2CCC(Cn3cc(-c4ccccc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8469568
41001,COc1ccccc1N1CCN(COc2ccc(OCCBr)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6954714
41002,CSc1ccccc1N1CCN(CCN2CCC(Oc3ccc4ccc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70397407
41003,CSc1ccccc1N1CCN(CCN2CCC(c3ccc(C#N)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74255526
41004,Cc1cc(OCCN2CCCC(Cc3ccc(F)cc3)C2)ccc1OO[SH](=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4204507
41005,Cc1cc(OCCN2CCNC2=O)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.19478147
41006,Cc1cc(OCCN=O)ccc1ON1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25313988
41007,Cc1cc(OCCNC2CCC(Oc3ccc(CC4CCCCC4)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.12165595
41008,Cn1cnnc1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74000365
41009,Oc1cc2c(cc1O)C1Cc3cccc(CSc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5901261
41010,Oc1cc2c(cc1O)C1Cc3cccc(OCc4ccc5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6664895
41011,Oc1cccc2c1CN1CCc3cc(OCc4cc[nH]c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7485576
41012,Oc1cccc2c1CN1CCc3cc(OCc4ccccn4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67093134
41013,CC(=O)OCCCN1CCN(Cc2cccc(N3C(=O)C(=O)c4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.45126867
41014,CCCOc1ccc(OC(C)=O)c(N2CCC(c3cc(F)ccn3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15163969
41015,CCCOc1ccc(ON2CCN(C(C)c3ccccc3)CC2)c(OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19294246
41016,CCCOc1ccc(ON=S(C)(=O)O)c(C=Cc2ccc(C(C)=O)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.052846342
41017,CCCOc1ccc(OS(C)(=O)=O)c(CN)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0966988
41018,CCCOc1ccc(OS(C)(=O)=O)c(CNCC2CCc3c(cccc3OC)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5384115
41019,CCCOc1ccc(OS(N)(=O)=O)c(NCC(C)c2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09268416
41020,CCOc1cc2c(cc1OC)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7062885
41021,CCOc1cccc(Oc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6579916
41022,CCOc1ccccc1C1=CCN(Oc2ccc(OCCNS(C)(=O)=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23303752
41023,CCc1cccc(C2CCN(CCOc3ccc(OC)c(OC)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.77903265
41024,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3cnn4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.408572
41025,COCCOc1ccc(Oc2ccccc2OC)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14686932
41026,CON=Cc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63343847
41027,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccccc1Cc1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29674166
41028,COc1cc2c(cc1Cc1cccc(C(F)(F)F)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78803235
41029,COc1cc2c(cc1Cc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5601212
41030,COc1ccc(Br)cc1OC1CCN(CCN2CCN(c3ccccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8125598
41031,COc1ccc(OCCCF)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.0770109
41032,COc1ccc(OCCCN2CCN(C)CC2)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.6408215
41033,COc1ccc(OCCCSc2ccc(C(C)C)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.056532357
41034,COc1ccc(OCCCc2ccccc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.098193996
41035,COc1ccc(OCCN2CCCC(CCc3ccccc3)C2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.38665807
41036,COc1ccc(OCCNC(=O)C=O)cc1N1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19137844
41037,COc1ccc(OCCNC(=O)c2ccc(F)c(F)c2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.026361594
41038,COc1ccc(OCCNC(=O)c2ccc(SC)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.027749985
41039,COc1ccc(OCCNC(C)=O)cc1NC(=O)Cc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.011890556
41040,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCCC(COc2ccccc2C)C1,[*]CCOc1ccc(O[*])c([*])c1,0.17373909
41041,COc1ccc(OCCS(C)(=O)=O)cc1C(C)CCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.08954241
41042,COc1ccc(OCCS(C)(=O)=O)cc1C1CC2CCC(C1)C2Cc1ccc2c(c1)NC(=O)CCS2,[*]CCOc1ccc(O[*])c([*])c1,0.167637
41043,COc1ccc(OCCSC)cc1NCCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.09465938
41044,COc1ccc(OCCc2ccc(C(C)=O)cc2)cc1N1CCC(O)(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23900507
41045,COc1cccc2c1CN1CCc3cc(C#N)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7451153
41046,COc1cccc2c1CN1CCc3cc(O)c(C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6858167
41047,COc1ccccc1-c1cc(C(=O)NCCN2CCN(F)CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33265206
41048,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(-c4cncnc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.86071384
41049,COc1ccccc1N1CCN(CCNC(=O)c2ccc([O-])c(C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.8218459
41050,COc1ccccc1NC(=O)c1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.30255178
41051,Cc1cc(OCCF)ccc1ONCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.15467381
41052,Cc1cc(OCCN2CCC(Cc3ccc(F)cc3)C2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.50791615
41053,Cc1cc(OCCN2CCC(O)(c3ccc(Cl)cc3)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.43150532
41054,Cc1cc(OCCN2CCCC(Cc3ccc(OC4CCCCC4)cc3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.32612604
41055,Cc1cc(OCCNOCCc2ccc3c(c2)NC(=O)CC3)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.18502326
41056,Clc1cccc(CN2CCN(CCCCCc3nc4ccccc4s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.78061944
41057,N#Cc1ccccc1N1CCN(CCN2CCC(c3cccc(O)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8268585
41058,O=C(CCCN1CCN(Cc2cccc(F)c2)CC1)NC1CCCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5623548
41059,O=S(=O)(c1ccc(OC(F)(F)F)cc1)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.54549885
41060,O=c1cccc2cccc(-c3cccc(CN4CCN(CCCCl)CC4)c3)n12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7293057
41061,Oc1cccc2c1CN1CCc3cc(-c4ccn[nH]4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65802705
41062,CC(=O)NCCOc1ccc(ONC(=O)C2(C)CCN(Cc3ccccc3)C2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2549445
41063,CC(=O)c1cc2c(cc1O)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49781463
41064,CC(C)C(=O)Nc1cccc(CCCN2CCN(Cc3cccc(F)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.29297298
41065,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3cn4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8217213
41066,CC(C)c1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6065865
41067,CCCOc1ccc(OC)c(N2CCC(CCc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.43793687
41068,CCCOc1ccc(OF)c(N2CCN(CC(=O)N3C(=O)CCc4ccc(OC)cc43)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27751553
41069,CCCOc1ccc(ON2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)c(N)c1,[*]CCOc1ccc(O[*])c([*])c1,0.43812543
41070,CCCOc1ccc(OOC)c(OC(=O)CCc2ccc3ccccc3c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07597957
41071,CCCOc1ccc(OS(C)(=O)=O)c(C(C)COc2ccc(C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.032115463
41072,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(Cc3ccc(OC4CCCCC4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16165473
41073,CCCOc1ccc(OS(C)(=O)=O)c(NC2CCc3ccc(OCC4CCC(=O)C4)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.47305396
41074,CCCOc1ccc(Oc2ccccc2OCC)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.795482
41075,CCOc1ccccc1N1CCCN(CCOc2ccc(OC)c(OC)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.83765864
41076,CN(C)[N+](=O)c1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57879317
41077,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccc4c(c3)OCO4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5999604
41078,COCCCN1CCN(Cc2cccc(CNC(=O)c3ccccc3OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.418841
41079,COCCOc1ccc(OC)c(-c2ccccc2C(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.154581
41080,COCCc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8299714
41081,COc1cc(C(=O)NCCN2CCN(C=O)CC2)ccc1-c1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.34233576
41082,COc1cc2c(cc1NC(=O)OCc1ccccc1)C1Cc3cccc(-c4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.284057
41083,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cc(C#N)ccc3CO)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6642526
41084,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cc4c(N(C)C)ccccc-4c3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6777685
41085,COc1cc2c(cc1O)CCN1Cc3c(cccc3O[N+](=O)c3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73162335
41086,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)Nc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.33034888
41087,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc(NC(C)=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.31764704
41088,COc1cc2c(cc1OS(=O)(=O)C(F)(F)F)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6843553
41089,COc1ccc(OCCC(C)=O)cc1N1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2241384
41090,COc1ccc(OCCC(C)Cc2cccs2)cc1S(=O)(=O)C1CCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.17744105
41091,COc1ccc(OCCCC(=O)c2ccc(SC)cc2)cc1CN1CCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.2229758
41092,COc1ccc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.6288898
41093,COc1ccc(OCCN2CCC(C(=O)c3cccs3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5557022
41094,COc1ccc(OCCN2CCCC(Cc3ccccc3F)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.33596244
41095,COc1ccc(OCCNC(=O)c2cccs2)cc1CN1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31629062
41096,COc1ccc(OCCS(C)(=O)=O)cc1C(C)Cc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.0775287
41097,COc1ccc(OCCS(C)(=O)=O)cc1CN(C)CCc1ccc(C(F)(F)F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.14122804
41098,COc1ccc(OCCSC)cc1NC(=O)CCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.0067764227
41099,COc1cccc(CN2CCN(CCCCC(=O)NC=Cc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46393856
41100,COc1cccc(CN2CCN(CCCc3cccc4cc(C(N)=O)ccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49159402
41101,COc1cccc(OC)c1Oc1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8211397
41102,COc1cccc2c1CN1CCc3cc(OCC=Cc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6750368
41103,COc1ccccc1N1CCN(CCN2CCC(COCc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9102228
41104,COc1ccccc1N1CCN(CCN2CCC(c3cn4cc(F)ccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8004329
41105,Cc1cc(OCCN2CCC(Cc3ccc(F)cc3)CC2)ccc1ON=S(C)(=O)SO,[*]CCOc1ccc(O[*])c([*])c1,0.5169976
41106,Cc1cc(OCCN2CCCC(Cc3ccccc3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.6052932
41107,Cc1cc(OCCN2CCN(CCc3ccccc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.4040682
41108,Cc1cc2c(cc1OCc1ccc(CO)cc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69345224
41109,C=COc1ccc(OCCN2CCN(c3ccccc3OCCC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.7960103
41110,CC(=O)c1ccccc1N1CCN(CCN2CCC(n3cccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6156023
41111,CCC(=O)c1cccc2c1CN1CCc3cc(OC)c(C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4693016
41112,CCCOc1ccc(OC2CCN(CCC)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.71557695
41113,CCCOc1ccc(OF)c(CN2CCN(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7635517
41114,CCCOc1ccc(ON2CCC(c3cccc(SC)c3)CC2)c(NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13348925
41115,CCCOc1ccc(ON2CCC(c3ccccc3OC)CC2)c(NS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36533138
41116,CCCOc1ccc(ON2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06651425
41117,CCCOc1ccc(ON=S(C)(=O)O)c(C2CCc3ccc(CC4CCCCC4)cc3C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20614898
41118,CCCOc1ccc(ON=[SH](C)(O)O)c(N2CCC(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19610164
41119,CCCOc1ccc(ONC=O)c(N2CCCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22836751
41120,CCCOc1ccc(OOC)c(CN2CCN(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.110417634
41121,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(CC(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27169532
41122,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCCC2CCc2cccc3c2CC(=O)NC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34463063
41123,CCCOc1ccc(OS(N)(=O)=O)c(NCC2CCc3cc(OC)c(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40671086
41124,CCOCCCOc1ccc(ON2CCN(c3ccccc3OC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2601216
41125,CCOc1cccc(CN2CCN(CCCC(=O)N3c4ccccc4CC3C)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57450163
41126,CCOc1cccc(CN2CCN(CCCc3csc4ccccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53986114
41127,CNS(=O)(=O)c1cc(OCCN2CCC(Oc3ccccc3C)CC2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.5400204
41128,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3cc4ccccn4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.39489412
41129,COCCCN1CCN(Cc2cccc(CC3Cc4ccccc4N3C(C)=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56147355
41130,COCCCN1CCN(Cc2cccc(N3CCc4ccccc4C3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7227083
41131,COCCOc1ccc(OC)c(CNc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08281227
41132,COCCOc1ccc(OC)c(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2407546
41133,COCCOc1ccc(ON2CCN(c3cccc(CCF)c3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34820125
41134,COc1cc(C#N)cc(-c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7099302
41135,COc1cc2c(cc1C(C)(C)O)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5402867
41136,COc1cc2c(cc1O)C1Cc3cccc([N+](=O)C(F)(F)F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70303833
41137,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccccc3C#N)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.684069
41138,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccc(O)c(Cl)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2786412
41139,COc1ccc(OCCC(F)COc2ccc3c(c2)NC(=O)CC3)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.19155385
41140,COc1ccc(OCCCCSc2ccc(F)cc2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.11633296
41141,COc1ccc(OCCF)cc1CN1CCN(C(C)c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4641468
41142,COc1ccc(OCCN2CCCCC2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.30263364
41143,COc1ccc(OCCN2CCN(c3ccccc3OC)CC2)cc1OC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.8628263
41144,COc1ccc(OCCN2CCSC(Cc3ccccc3)C2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4943393
41145,COc1ccc(OCCNC(C)=O)cc1CCC(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.03759907
41146,COc1ccc(OCCNCc2ccccn2)cc1CNS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1718809
41147,COc1ccc(OCCSC)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8067386
41148,COc1cccc(CN2CCN(CCCC3=C(c4ccccc4)CCC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5929644
41149,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(Cl)CC2)cc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3440503
41150,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(OC)CC2)cc1O[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3568452
41151,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cc4ccccn4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.866912
41152,COc1ccccc1N1CCN(CCN2CCC(c3ccc4ncccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78682536
41153,CSOc1ccc(OCCCC2CCc3ccccc3C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.35385835
41154,Cc1cc(OCCNCCCc2ccc3c(c2)NC(=O)CC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.21624471
41155,Cc1cc(OCCOC(O)CCc2ccc3c(c2)NC(=O)CC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.15535975
41156,Cc1ccc(Cc2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6288953
41157,Cc1cccc(CN2CCN(CCCC(=O)c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5431651
41158,ON=Cc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6702105
41159,C#Cc1cc2c(cc1C)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63678557
41160,C=S(=O)(O)NCCOc1ccc(OC)c(N2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2633639
41161,CC(=O)c1ccc(CNCCOc2ccc(ON)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07215028
41162,CC(=O)c1ccc(Oc2ccc(OCCN3CCN(C)CC3)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.23372613
41163,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3cccnn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82342744
41164,CC(C)Oc1ccccc1N1CCN(CCN2CCC(n3cc(Br)ccc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7637889
41165,CCCOc1ccc(OCCOc2ccccc2C(C)=O)c([N+](=O)[O-])c1,[*]CCOc1ccc(O[*])c([*])c1,0.0452688
41166,CCCOc1ccc(OF)c(N2CCN(CC(=O)c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31484082
41167,CCCOc1ccc(ONS(C)(=O)=O)c(CCCc2ccc(C3CCN(C)CC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.41173017
41168,CCCOc1ccc(OOC)c(CCNC(=O)c2cccc(F)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.022746028
41169,CCCOc1ccc(OS(N)(=O)=O)c(NCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08712229
41170,CCCOc1ccc(OSC)c(N=S(C)(=O)O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05672241
41171,CCN1C(=O)CCc2ccc(OCC(=O)CCOc3ccc(OC)c(OC)c3)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.15466881
41172,CCc1cc2c(cc1F)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74819034
41173,CN(Cc1ccccc1)Cc1cccc2c1CN1CCc3cc(O)c(CO)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6380618
41174,COC(=O)Nc1cccc(-c2cc3c(cc2OC)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.28324023
41175,COCCCN1CCN(Cc2cccc(C3C(=O)NCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6863924
41176,COCCOc1ccc(OC)c(Cc2ccc(C(=O)OC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.023074074
41177,COCCOc1ccc(OC2CCN(C(=O)c3ccc(F)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.085325755
41178,COCCOc1ccc(ONC(=O)c2ccc(F)c(N3CCN(C)CC3)c2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27717862
41179,COOc1ccc(OCCF)cc1CN1CCCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7810986
41180,CO[N+](=O)c1cccc(Cc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5822906
41181,COc1cc2c(cc1-c1cccc([N+](=O)O)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5496028
41182,COc1cc2c(cc1C(=O)c1cccc(C)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5302761
41183,COc1cc2c(cc1C1(C)CCCC1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79139644
41184,COc1cc2c(cc1OCCCCOc1ccc(OS(N)(=O)=O)c(C)c1)CCN(C(C)=O)C2,[*]CCOc1ccc(O[*])c([*])c1,0.14577965
41185,COc1ccc(OCCC(=O)COc2ccc3c(c2)NC(=O)CC3)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.18009558
41186,COc1ccc(OCCC2CCCCN2C)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2835304
41187,COc1ccc(OCCN(C)C)cc1N1CCC(C(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2299142
41188,COc1ccc(OCCN2CCC(c3ccc(F)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.7123175
41189,COc1ccc(OCCN2CCC(c3ccccc3C(C)=O)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5762898
41190,COc1ccc(OCCNCC(=O)c2ccc(F)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.08578486
41191,COc1ccc(OCCS(C)(=O)=O)cc1CCCc1noc2cc(F)ccc12,[*]CCOc1ccc(O[*])c([*])c1,0.08647051
41192,COc1cccc(CN2CCN(CCCC3CC=C(C)CC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6599162
41193,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc4nc(O)ccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81021196
41194,COc1ccccc1NCCOc1ccc(OC)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.052386448
41195,CSOc1ccc(OCCN2CCC(OCc3ccc4c(c3)NC(=O)CCC4)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.510838
41196,CSOc1ccc(OCCNCC2CCc3ccc(C)c(c3)NC(=O)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.109397285
41197,Cc1cc(OCCCF)ccc1OCN1CCCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.48913494
41198,Cc1cc(OCCF)ccc1ON1CCCC(CNS(=O)(=O)c2cccc(F)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.15354174
41199,Cc1cc(OCCN2CCC(Cc3ccc4ccccc4c3)CC2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.5485005
41200,Cc1cc(OCCN2CCC(Cc3ccc4ccccc4n3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.535335
41201,Cc1ccc(NCc2cccc3c2CN2CCc4cc(C)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36345467
41202,FC(F)(F)c1ccccc1N1CCN(CCN2CCC(c3ccccc3-c3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7994923
41203,NOc1ccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73343885
41204,O=C(NCCCCN1CCN(Cc2cccc(F)c2)CC1)c1ccc(-c2ccccc2)o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5602645
41205,C=CCc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7884036
41206,CC(=O)OOc1ccc(OCCN2CCC(C(=O)OCc3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.3859086
41207,CC(=O)c1cccc(NC(=O)C2CCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22196816
41208,CC1CCN(CCN2CCN(c3ccccc3-n3cc4ccccc4c3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6684355
41209,CCCCC1=CC=C(c2cc(OCCN=S(C)(=O)O)ccc2OC)CCC12CCNC2,[*]CCOc1ccc(O[*])c([*])c1,0.15345915
41210,CCCN1CCCC(c2cc(OCCNC(=O)c3ccc(F)cc3)ccc2OC)C1,[*]CCOc1ccc(O[*])c([*])c1,0.4035953
41211,CCCOc1ccc(OCCN2CCN(c3ccccc3OC)CC2)c(CNC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8477097
41212,CCCOc1ccc(ON2CCN(Cc3ccccc3)CC2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4350616
41213,CCCOc1ccc(ONS(C)(=O)=O)c(NC(=O)COc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.006239911
41214,CCCOc1ccc(OOC)c(N2CCN(CCc3cccc(F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8158532
41215,CCCOc1ccc(OOC)c(NC(=O)c2ccc(CC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.034631353
41216,CCSc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.638294
41217,CCc1ccccc1C1CCN(Oc2ccc(OCCS(=O)(=O)O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20261534
41218,CN(C)Oc1ccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6932383
41219,COC(=O)Nc1ccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3416836
41220,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccsc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79939985
41221,COC1CCN(CCN2CCN(c3ccccc3COC(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6735177
41222,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4ccc(C)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7889864
41223,COCCCN1CCN(Cc2cccc(Cn3cccc3O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4836901
41224,COCCOc1ccc(OC)c(-c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10178288
41225,COOc1ccc(OCCNC(=O)Cc2ccccc2OC)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.023341948
41226,COc1cc2c(cc1O)C1Cc3cccc(-c4cccc([N+](=O)[O-])c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4965295
41227,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(OCc5cccc(F)c5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56805533
41228,COc1cc2c(cc1OC)C1Cc3cccc(C=CCNC(C)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4129841
41229,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72300696
41230,COc1ccc(CC(=O)c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59517175
41231,COc1ccc(OCCCC(C)=O)cc1CN1CCC(C(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5160123
41232,COc1ccc(OCCN)cc1CCNC(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.03526469
41233,COc1ccc(OCCN2CCC(Cc3ccc4ccc(F)cc4n3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.62339383
41234,COc1ccc(OCCNC(=O)c2ccccc2)cc1CN1CCC(C(=O)c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.37301207
41235,COc1ccc(OCCS(C)(=O)=O)cc1OC1CCN(Cc2ccc(SC)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.47437677
41236,COc1ccc2ccc(C(=O)c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)cc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.62950885
41237,COc1cccc2c1CN1CCc3cc(C)c(CO[O-])cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6212797
41238,COc1cccc2c1CN1CCc3cc(CN4CCCC4=O)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39708596
41239,COc1cccc2c1CN1CCc3cc([N+](C(=O)O)c4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50742835
41240,COc1ccccc1CCCCN1CCN(Cc2cccc(C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.707395
41241,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3cccnc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7656288
41242,COc1ccccc1N1CCN(CCN2CCC(Cc3cc(-c4ccccc4)no3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7807511
41243,COc1ccccc1N1CCN(COc2ccc(OCCNC(=O)COc3ccccc3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.46958363
41244,Cc1cc(OCCN2CCC(c3ccc(S(C)(=O)=O)cc3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.6108559
41245,Cc1cc(OCCNCc2cccs2)ccc1OCN,[*]CCOc1ccc(O[*])c([*])c1,0.15098059
41246,Cc1cc(OCCNS(=O)(=O)Cc2ccc(C(C)C)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06136132
41247,Cc1cc(OCCNS(C)(=O)=O)ccc1ONCC1Cc2ccccc2CO1,[*]CCOc1ccc(O[*])c([*])c1,0.1987706
41248,Cc1cccc(CN2CCN(CCCCNC(=O)c3cc4ccccc4s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6584366
41249,O=C(NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)c1ccc(F)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.89137
41250,O=C(NCCCCN1CCN(Cc2cccc(Cl)c2)CC1)C1(c2ccccc2)CCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6295435
41251,O=C1c2ccccc2C(=O)N1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68438303
41252,O=S(=O)(NCCCCN1CCN(Cc2cccc(F)c2)CC1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5560728
41253,Oc1cccc(CN2CCN(CCCCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7553116
41254,Oc1ccccc1CCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7086757
41255,CC(=O)c1ccc(C2CCN(Oc3ccc(OCCNS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.1304371
41256,CCCCOc1ccc(OC)c(CCNc2ccccn2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.082148105
41257,CCCOc1ccc(OC(=O)COc2ccccc2)c(C(=O)Nc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.015181781
41258,CCCOc1ccc(OCN2CCN(c3ccccc3OCC)CC2)c(NC=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5582204
41259,CCCOc1ccc(OS(C)(=O)=O)c(-c2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24863729
41260,CCOc1ccc(CNC(=O)c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4962383
41261,CCOc1cccc2c1CN1CCc3cc(Cc4cccc(C#N)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6575618
41262,COCCCN1CCN(Cc2cccc(-c3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64529186
41263,COCCCN1CCN(Cc2cccc(-c3ncc(-c4ccccc4)s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53210825
41264,COCCCN1CCN(Cc2cccc(C(=O)c3cccs3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46492782
41265,COCCCN1CCN(Cc2cccc(CNC(=O)C3(c4ccccc4)CCCCC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.40224245
41266,COOc1ccc(OCCN2CCC(Oc3ccc(CC4CCCCC4)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.51015455
41267,COOc1ccc(OCCNCc2ccsc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.17599401
41268,COc1cc2c(cc1Cl)CCN1Cc3c(cccc3C3CCCCC3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5020853
41269,COc1cc2c(cc1O)C1Cc3cccc(C(=O)Nc4cc(F)ccc4F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3749423
41270,COc1cc2c(cc1OC)C1Cc3cccc(CCN4CCCCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5788106
41271,COc1cc2c(cc1OC)C1Cc3cccc(N(C)Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77522254
41272,COc1cc2c(cc1OCc1ccc(CO)cc1)CCN1Cc3c(cccc3SC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6494498
41273,COc1cc2c(cc1OCc1cccc3c(OC)cccc13)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6299386
41274,COc1ccc(-c2cc3c(cc2OC)C2Cc4cccc(C=O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6482586
41275,COc1ccc(OCCF)cc1CS(=O)(=O)c1ccccc1C=O,[*]CCOc1ccc(O[*])c([*])c1,0.13911907
41276,COc1ccc(OCCN2CCCCC2)cc1S(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.25366226
41277,COc1ccc(OCCNC(=O)Cc2ccc3ccccc3c2)cc1N1CCN(C)CS1,[*]CCOc1ccc(O[*])c([*])c1,0.14368829
41278,COc1ccc(OCCNS(=O)(=O)c2cc(F)ccc2OC)cc1N1CCC(CSC)CS1,[*]CCOc1ccc(O[*])c([*])c1,0.2258219
41279,COc1ccc(OCCNS(C)(=O)=O)cc1NC(=O)CSc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.023300447
41280,COc1ccc(OCCOC(C)=O)cc1-c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.042468853
41281,COc1ccc2cccc(C(=O)NCc3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)c2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7589099
41282,COc1cccc(CN2CCN(CCCOc3ccc4c(c3)NC(=O)CC4C)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5697018
41283,COc1cccc(CN2CCN(CCCc3ccco3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56947964
41284,COc1cccc(CN2CCN(CCCc3coc(-c4ccccc4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.637171
41285,COc1cccc(NCc2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54929173
41286,COc1ccccc1N1CCN(CCN2CCC(c3cc(F)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8395181
41287,COc1ccccc1NC(=O)Nc1ccccc1N1CCN(CCN2CCC(C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.40788728
41288,CSOc1ccc(OCCCOCc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.1527621
41289,Cc1cc(OCCCc2ccco2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.05492615
41290,Cc1cc(OCCF)ccc1ONCC(C)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.10863916
41291,Cc1cc(OCCN2CCCC(Cc3ccc4ccccc4c3)C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.35952467
41292,Cc1cc(OCCNC(=O)C2CCc3ccccc32)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.15587999
41293,Cc1cc(OCCNCCc2ccc(F)cc2)ccc1ON(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.15393747
41294,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCCC(CCc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28316456
41295,Cc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1cccc(Oc2ccccc2)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3009856
41296,Cc1cccc(CCCCN2CCN(Cc3cccc(Cl)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7221052
41297,Cc1cccc2c1CN1CCc3cc(-c4cccnc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5140459
41298,Cc1ccccc1N1CCN(CCN2CCC(Nc3ccc(-c4ccccc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6757893
41299,FCCCN1CCN(Cc2cccc(C=Nc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66351277
41300,O=C(Nc1cccc2ccccc12)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.31514287
41301,O=c1ccn(Cc2cccc(CN3CCN(CCCCl)CC3)c2)o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6969197
41302,Oc1cccc2c1CN1CCc3cc(-n4cccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70042753
41303,CC(=O)c1ccc(N2CCN(CCOc3ccc(ON=S(C)(=O)O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.42927378
41304,CCC1CCCN(c2cc(OCCN=S(C)(=O)O)ccc2OC)C1,[*]CCOc1ccc(O[*])c([*])c1,0.16950081
41305,CCCOc1ccc(OC(C)COc2ccccc2)c(CNC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.028754111
41306,CCCOc1ccc(OCN2CCN(Cc3cccc(OC)c3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.47300965
41307,CCCOc1ccc(OCNS(C)(=O)=O)c(CN2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4040073
41308,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(Oc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23355825
41309,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(c3cccc4ccc(F)cc34)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39391044
41310,CCCOc1ccc(OOC)c(COc2ccccc2C(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12918591
41311,CN(C)S(=O)(=O)Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60196304
41312,CNCCOc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6745908
41313,CNOc1ccc(OCCN2CCCC(O)(c3ccc(SC)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.30731538
41314,COC(=O)N(C)c1ccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4523822
41315,COC(=O)c1cc(OCCNC(=O)Cc2ccc(F)cc2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.017909039
41316,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3cc4ccc3CCc3ccc(cc3)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70492804
41317,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccc(F)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69007665
41318,COCCCN1CCN(Cc2cccc(CCC(=O)NC3CCCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5493323
41319,COCCOc1ccc(ON2CCN(c3ccc(F)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2770062
41320,COCc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7907927
41321,CON1CCN(CCNC(=O)c2ccc(C)c(C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.22592126
41322,COc1cc2c(cc1-c1ccccc1C#N)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69861203
41323,COc1cc2c(cc1-c1cccs1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8216608
41324,COc1cc2c(cc1O)C1Cc3cccc(CCc4cccc(Cl)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7782909
41325,COc1cc2c(cc1O)CCN1Cc3c(CCc4ccc(CO)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8297974
41326,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)[N+](C)(C)C)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62774605
41327,COc1cc2c(cc1O)CCN1Cc3c(cccc3NC(=O)c3c[nH]c4ccccc34)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.30717283
41328,COc1ccc(OCCC(=O)CCCc2ccc(F)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.05122698
41329,COc1ccc(OCCF)cc1N=S(C)(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.069161594
41330,COc1ccc(OCCN2CCC(c3ccc(F)cc3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.70973915
41331,COc1cccc(CCCN2CCN(Cc3cccc(OC(F)(F)F)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53330076
41332,COc1cccc2c1CN1CCc3cc(-c4cc5ccccc5cc4C#N)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.765613
41333,COc1cccc2c1CN1CCc3cc(-c4ccccc4OCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61524427
41334,COc1cccc2c1CN1CCc3cc(C4CCc5ccccc5C4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6462985
41335,COc1cccc2c1CN1CCc3cc(Cc4ccc([N+](=O)[O-])cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4838552
41336,COc1ccccc1C1CCCN(CCCOc2ccc(ON)c(C)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.5742184
41337,COc1ccccc1N1CCN(CCN2CCC(COc3cccc(-c4cccnc4O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7277533
41338,COc1ccccc1N1CCN(CCN2CCC(n3ccc4cc(O)ccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87923026
41339,Cc1cc(OCCCCSc2ccc(F)cc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08916287
41340,Cc1cc(OCCN2CCC(c3cccc(C(F)(F)F)c3)CC2)ccc1OSO,[*]CCOc1ccc(O[*])c([*])c1,0.5883213
41341,Cc1cc(OCCNCC2CCC(O)(c3ccc(Cl)cc3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.22139502
41342,Cc1cc(OCCNCc2ccsc2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.14327991
41343,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCCC(Cc2ccc(OC3CCC(=O)NC3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.23713978
41344,Cc1ccccc1N1CCN(CCN2CCC(N3C(=O)Cc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72214216
41345,Cc1ccccc1N1CCN(CCN2CCC(Nc3ccc(-c4ccccc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6292609
41346,Cc1ccccc1N1CCN(CCN2CCC(c3cccc(O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7146783
41347,Fc1ccc(-c2ccn(C3CCN(CCN4CCN(c5ccccc5Cl)CC4)CC3)c2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8078486
41348,O=C(Oc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)c1cccc(OC(F)(F)F)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47109273
41349,O=CN1CCN(CCNC(=O)c2ccc(O)c(-c3ccccc3[N+](=O)[O-])c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.38635784
41350,CC(=O)NOc1ccc(OCCNCc2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.057976596
41351,CC(CN1CCC(Cc2ccc(F)cc2)CC1)c1cc(OCCF)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.39112622
41352,CC1=CC=CC=C[N+]1Oc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6030482
41353,CCCOc1ccc(OC(N)=O)c(CN2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6469483
41354,CCCOc1ccc(OCl)c(N2CCCC(CCc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33685175
41355,CCCOc1ccc(ON2CCC(CCc3ccc(F)cc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39059892
41356,CCCOc1ccc(ON2CCC(c3cccc(C)n3)CC2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18784814
41357,CCCOc1ccc(ON2CCC(c3ccccc3)CC2)c(C(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18541078
41358,CCCOc1ccc(ON=S(C)(=O)O)c(-c2ccc(C3CCNCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13403204
41359,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCc3ccc(S(C)(=O)=O)cc3CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18916877
41360,CCCOc1ccc(ONS(C)(=O)=O)c(N2C(=O)CCc3c(CC4CCCCC4)cccc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2369509
41361,CCCOc1ccc(OOC)c(N2CCN(C3CCc4ccc(F)cc43)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5990434
41362,CCCOc1ccc(OS(C)(=O)=O)c(N2CCN(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.62962866
41363,CCOc1ccccc1N1CCN(CCN2CCC(C(O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7935524
41364,CN1CCN(CCNC(=O)c2ccc(O)c(-c3ccc([N+](=O)[O-])cc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.18416479
41365,CNc1cccc(CCCCN2CCN(Cc3cccc(F)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49100286
41366,COC1CCN(CCN2CCN(c3ccccc3-n3cnc(-c4ccc(F)cc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8030328
41367,COC1CCN(CCN2CCN(c3ccccc3CCc3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76237214
41368,COCCCN1CCN(Cc2cccc(CNC(=O)c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.44544303
41369,COCCOc1ccc(OC)c(C2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34124562
41370,COOc1ccc(OCCc2ccc(F)cc2)cc1CCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.1876161
41371,COc1cc(C(=O)NCCN2CCN(C(=O)c3ccccc3)CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.19238046
41372,COc1cc2c(cc1NC(C)c1ccccc1)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4807574
41373,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc([N+]O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7536384
41374,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3c(OC)cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69028544
41375,COc1ccc(CC(F)CCOc2ccc(ON=S(C)(=O)O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.031479396
41376,COc1ccc(OCCCCOc2ccc3c(c2)NC(=O)CC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.28268126
41377,COc1ccc(OCCCNC(=O)Cc2ccc3c(c2)CCCC3)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.068001024
41378,COc1ccc(OCCCOCCc2ccc3c(c2)NC(=O)CC3)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.2565957
41379,COc1ccc(OCCN2CCC(Oc3ccc(F)cc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.744699
41380,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(C(=O)c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21141109
41381,COc1ccc2cc(C(=O)NCc3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)[nH]c2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.61484164
41382,Cc1cc(OCCCN2CCC(Cc3ccccc3)CC2)ccc1ONS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.6284776
41383,Cc1cc(OCCN2CCC(NS(=O)(=O)c3cc(F)ccc3F)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6526171
41384,Cc1cc(OCCN2CCN(c3cc(F)ccc3OC(C)C)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.62513345
41385,Cc1cc(OCCNCCCC2CNC(=O)c3ccccc3C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2891089
41386,Cc1cc(OCCNCCOc2ccc(C(F)(F)F)cc2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.18172841
41387,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCN(CCc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.38809344
41388,Cc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc4ccc(O)cc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.55495554
41389,Cc1ccccc1NC(=O)Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3035474
41390,ClC1CCN(CCN2CCN(c3ccccc3COc3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7204447
41391,ClCCCN1CCN(Cc2cccc(C3Cc4ccccc4C3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7266481
41392,Clc1cccc(CN2CCN(CCCCc3cc(C=Cc4ccccc4)no3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7587321
41393,O=C(NCC1CCN(CCN2CCN(c3ccccc3O)CC2)CC1)Nc1ccccc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5099282
41394,O=C(NCCCCN1CCN(Cc2cccc(Cl)c2)CC1)c1ccc2c(c1)-c1ccccc1C2,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6890265
41395,O=C1c2ccccc2CCCN1CCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.74604577
41396,Oc1cc2c(cc1Cc1c[nH]c3ccccc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7500467
41397,C#CCN(c1ccccc1N1CCN(CCN2CCC(O)CC2)CC1)C1CCc2ccc(O)cc2C1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7686643
41398,CC(=O)N1CCC(CNOc2ccc(OCCNS(=O)(=O)c3cccs3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.094771646
41399,CC1(C(=O)NCCCCN2CCN(Cc3cccc(Cl)c3)CC2)Cc2ccccc2C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6402841
41400,CCCCOc1ccc(OCN2CCN(c3ccccc3OC)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7901464
41401,CCCNc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.564453
41402,CCCOc1ccc(OF)c(N2CCN(Cc3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.73245096
41403,CCCOc1ccc(ON2CCN(c3ccc(F)cc3OC)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3519925
41404,CCCOc1ccc(ONS(C)(=O)=O)c(N2CC=C(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.368178
41405,CCCOc1ccc(OOC)c(CCNC(=O)c2ccccc2N2CCN(C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3951838
41406,CCCOc1ccc(OOC)c(N(C)CCc2ccco2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1416113
41407,CCCOc1ccc(OS(C)(=O)=O)c(CN2CCC(O)(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.55340135
41408,CCCOc1ccc(OS(C)(=O)=O)c(CN2CCC(c3ccc(C)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.49204147
41409,CNC(=O)c1ccc(COc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5012242
41410,CNOc1ccc(OCCN2CCC(Oc3ccccc3C=O)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5143877
41411,COCCCN1CCN(Cc2cccc(-c3cc4c(C)cccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4636245
41412,COCCOc1ccc(OC)c(NCC(=O)c2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.046588883
41413,COCCOc1ccc(ON2CCC(c3ccc(F)cn3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31961575
41414,COc1cc(C)ccc1OCC1CCN(CCN2CCN(c3ccccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76613545
41415,COc1cc2c(cc1Cc1ccc(C#N)c3ccccc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7527393
41416,COc1cc2c(cc1Cc1ccc(O)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77271914
41417,COc1cc2c(cc1OC)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7835915
41418,COc1ccc(OCCC(F)COc2ccccc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.04768806
41419,COc1ccc(OCCN=S(C)(=O)O)cc1-c1ccc(OCc2ccccc2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.05075115
41420,COc1ccc(OCCNCC2CCc3sccc3C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.24180917
41421,COc1ccc(OCCNS(=O)(=O)O)cc1N1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27641824
41422,COc1ccc(OCCNS(C)(=O)=O)cc1Cn1cc(C)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.064369805
41423,COc1ccc2cc(O)nc(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)c2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71286565
41424,COc1ccc2ccc(C(=O)NCc3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)cc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70686626
41425,COc1ccc2ccc(CC3CCN(CCOc4ccc(ON)c(C)c4)CC3)cc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.4891247
41426,COc1cccc(COc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6301609
41427,COc1cccc(Cc2cc3c(cc2Oc2ccccc2)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6634796
41428,COc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccccc4)on3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8252722
41429,COc1ccccc1N1CCN(CCN2CCC(c3cc(O)ccc3Br)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84506303
41430,COc1ccccc1N1CCN(CCN2CCC(n3cc(Br)nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.828058
41431,COc1ccccc1N1CCN(CCNC(=O)c2ccc(F)c(O)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.9101343
41432,CSOc1ccc(OCCOC(=O)CCc2ccc3c(c2)CC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.05292699
41433,Cc1cc(OCCCN2CCC(Cc3ccc4ccccc4n3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.55199087
41434,Cc1cc(OCCF)ccc1ON1CCC(S(=O)(=O)c2cccc(C(C)C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23406993
41435,Cc1cc(OCCN2CCC(Cc3ccc(F)cc3)CC2)ccc1OOS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.5931956
41436,Cc1cccc2c1CN1CCc3cc(C(C)N)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59966886
41437,Nc1c[nH]c2ccc(-c3cc4c(cc3Cl)C3Cc5cccc(O)c5CN3CC4)cc12,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6419794
41438,O=C1CC(c2cccc(CN3CCN(CCCCl)CC3)c2)Nc2cc(F)ccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6060833
41439,Oc1cc2c(cc1C1CCC1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.657345
41440,Oc1cccc2cc(-c3cccc(CN4CCN(CCCF)CC4)c3)ccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6623824
41441,Oc1nc2ccccc2n1Cc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5475931
41442,CC1CCN(CCN2CCN(c3ccccc3Cc3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7120003
41443,CC1c2ccccc2CCN1C(=O)CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6915793
41444,CCCOc1ccc(OC(O)Cc2ccccc2)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6848064
41445,CCCOc1ccc(ON2CCN(C(=O)c3ccccc3OCC)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.070783176
41446,CCCOc1ccc(ONS(=O)(=O)c2ccc(F)cc2)c(NC2CCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13135152
41447,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22948807
41448,CCCOc1ccc(OOC)c(CC2c3cc(C(N)=O)ccc3CCN2CCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40583074
41449,CCCOc1ccc(OOS(C)(=O)=O)c(NCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.051246066
41450,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(Cc3ccc4c(c3)NC(=O)CCC4)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28961608
41451,CCONc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62027603
41452,CCOc1ccccc1C(=O)NCCc1cc(OCCOC)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.033520345
41453,CCc1ccccc1N1CCN(CCN2CCC(c3ccc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7521431
41454,CN1CCN(CCNC(=O)c2ccc(Br)c(-c3cccc([N+](=O)[O-])c3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2187451
41455,COC1CCN(CCN2CCN(c3ccccc3-c3cnc(O)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79675776
41456,COCCOc1ccc(OC)c(CN2CCN(c3ccccc3OC(C)C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8009174
41457,CONOc1ccc(OCCCOc2ccc(F)cc2)cc1Cc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.16636825
41458,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(CNC(C)(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5894524
41459,COc1cc2c(cc1O)C1Cc3cccc(C(=O)OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5589618
41460,COc1cc2c(cc1O)CCN1Cc3c(COc4cccc5cccc(OC)c45)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7068789
41461,COc1cc2c(cc1OC)C1Cc3cccc(-c4cc(C#N)ccc4F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6955373
41462,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)c4ccc5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51915044
41463,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc(OCc5cccc(C#N)c5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.545728
41464,COc1cc2c(cc1OC)C1Cc3cccc(Cc4cccc([N+](=O)[O-])c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4691776
41465,COc1cc2c(cc1OC)C1Cc3cccc(OCc4ccc(Br)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73283416
41466,COc1ccc(C(=O)N2CCN(COc3ccc(OCCF)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06865341
41467,COc1ccc(COCc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8329582
41468,COc1ccc(OCCC(N)=O)cc1-c1cccn1CCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.08541115
41469,COc1ccc(OCCCN2CCC(Oc3ccc(C)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5750913
41470,COc1ccc(OCCF)cc1NS(=O)(=O)Cc1cccc(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08698402
41471,COc1ccc(OCCN2CCC(c3ccc(F)cc3)CC2)cc1OC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6145693
41472,COc1ccc(OCCNC(C)=O)cc1NS(=O)(=O)c1ccc(C(C)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.013897132
41473,COc1ccc(OCCOC2CCN(Cc3ccc(F)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4440663
41474,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(Cc2ccc3c(c2)N(C)C(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3137266
41475,COc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3cc(O)nc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7790574
41476,COc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3ccc(Br)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7403224
41477,Cc1cc(OCCN2CCC(Oc3ccccc3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.6650901
41478,Cc1cc(OCCN2CCCC(Cc3ccc(F)cc3)C2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4284903
41479,Cc1cc(OCCN2CCN(CCc3ccc(F)cc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.43011796
41480,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(Cc2ccc(C3CCCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.17444855
41481,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCOCC1,[*]CCOc1ccc(O[*])c([*])c1,0.10736916
41482,O=C(C=Cc1ccccc1)Nc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.39734998
41483,O=C(NC1CCN(CCN2CCN(c3ccccc3S(=O)(=O)O)CC2)CC1)c1ccc(F)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7453401
41484,O=C1C=CN(CCCN2CCN(Cc3cccc(F)c3)CC2)C1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59175503
41485,O=[SH](O)=CC1Cc2ccccc2N1c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6176937
41486,OCc1cc2c(cc1O)C1Cc3cccc(CO)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.800858
41487,OCc1ccc(COc2cc3c(cc2O)CCN2Cc4c(O)cccc4CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71288484
41488,CC(=O)NCCOc1ccc(ON2CCC(Cc3ccc4ccccc4n3)CC2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09862304
41489,CC(C)c1ccccc1N1CCN(CCN2CCC(NC(=O)NCc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.758052
41490,CCCOc1ccc(OC(=O)OCC)c(N2CCC(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14359978
41491,CCCOc1ccc(OC(=O)OCC)c(N2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1250845
41492,CCCOc1ccc(ON2CCC(c3ccccc3C3CCNCC3)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.45755222
41493,CCCOc1ccc(ON=S(C)(=O)O)c(NC2CCc3ccccc3CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.348925
41494,CCCOc1ccc(OOC)c(CCOc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19184132
41495,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCC(Oc3ccc4c(c3)NC(=O)CCC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.50438315
41496,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3ccc(OCCF)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31346712
41497,CCCOc1ccc(Oc2ccccc2OCCF)c(NC=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09102061
41498,CCNc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51651657
41499,CCOC(=O)C1CCN(CCN2CCN(c3ccccc3-c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5767764
41500,CCc1ccc(OC2CCN(c3cc(OCCS(N)(=O)=O)ccc3OC)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.24780771
41501,COC(=O)c1cc2c(cc1OCc1ccccc1)CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3672433
41502,COC1CCN(CCN2CCN(c3ccccc3-n3c(O)nc4ccc(C#N)cc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7163221
41503,COC1CCN(CCN2CCN(c3ccccc3C(=O)N=CC3Nc4ccccc4C(=O)N3c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6990965
41504,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3csc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6400105
41505,COC1CCN(CCN2CCN(c3ccccc3S(=O)(=O)c3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6586276
41506,COOc1ccc(OCCN2CCN(c3ccc(C(F)(F)F)c(C=O)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.47335353
41507,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc(Oc5ccccc5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6568501
41508,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1cccc([N+](=O)[O-])c1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.20440304
41509,COc1ccc(C(=O)c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65097636
41510,COc1ccc(C(=O)c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)cc1OC,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.728159
41511,COc1ccc(OCCC(C)=O)cc1N1CCC(C(=O)N2CCc3ccc(SC)cc32)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28171206
41512,COc1ccc(OCCCS(N)(=O)=O)cc1N1CCCC(Cc2ccc(OC3CCCC3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.1735118
41513,COc1ccc(OCCN2CCC(Cc3ccc(F)cc3)CC2)cc1C(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5422125
41514,COc1ccc(OCCN2CCC(NC(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.47823915
41515,COc1ccc(OCCNC(=O)Cc2ccc3c(c2)NC(=O)CC3)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.049910307
41516,COc1ccc(OCCNC(=O)Cc2ccc3c(c2)NC(=O)CC3)cc1SC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.068240196
41517,COc1ccc2c(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)nccc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70371306
41518,COc1cccc(C2CCN(COc3ccc(OCCCF)cc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5521421
41519,COc1cccc(CN2CCN(CCCc3cc(-c4ccc(F)cc4)co3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6381357
41520,COc1cccc2c1CN1CCc3cc(CCNOCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6747864
41521,COc1cccc2c1CN1CCc3cc(OCc4ccccc4)c(C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6492246
41522,COc1ccccc1N1CCN(CCN2CCC(c3cc(O)ncc3-c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6724505
41523,Cc1cc(OCCNC(=O)COc2ccc3c(c2)NCC3)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.061458275
41524,Cc1cc(OCCOC(=O)Cc2ccc(F)cc2)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.032717533
41525,Cc1ccccc1-c1cc(C(=O)NCCN2CCN(C)CC2)ccc1S(C)(=O)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30576214
41526,FC(F)(F)c1ccccc1N1CCN(CCN2CCC(c3cnc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8443248
41527,Fc1cc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)ccn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7999353
41528,O=C(NC1CCN(CCN2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1)c1ccccc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6182803
41529,O=C(NCc1cccc(CN2CCN(CCCN3CCCCC3)CC2)c1)c1cccs1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.37692723
41530,O=C(NOCc1ccccc1)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41945133
41531,Oc1cccc2c1CN1CCc3cc(C#Cc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7440338
41532,CC(=O)NOc1ccc(OCCN2CCc3ccccc3C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.36904195
41533,CC(F)c1ccccc1N1CCN(CCN2CCC(F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6646376
41534,CCCCN1CCN(Cc2cccc(N3C(=O)c4ccccc4C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5771801
41535,CCCCNCCOc1ccc(OC)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18985441
41536,CCCOc1ccc(OC(N)=O)c(N2CCC(c3ccccc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12384673
41537,CCCOc1ccc(OCN2CCC(c3ccccc3OC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.49463537
41538,CCCOc1ccc(ON2CCC(NC(=O)c3ccc(C(F)(F)F)cn3)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16277497
41539,CCCOc1ccc(ON2CCN(C(C)=O)CC2)c(Cc2ccc(Cl)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08999265
41540,CCCOc1ccc(ON=S(C)(=O)O)c(OC2CCc3cccc4c3C(CCCS4)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27679932
41541,CCCOc1ccc(ONS(=O)(=O)c2cc(C)ccc2OC)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.053946167
41542,CCCOc1ccc(OOC)c(N2CCC(Cc3cccc(OC)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.42734578
41543,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)COc2ccccc2OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0070373677
41544,CCOc1ccccc1NCc1cc(OCCOC)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.08166957
41545,CN(Cc1ccccc1)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75347453
41546,COC1CCN(CCN2CCN(c3ccccc3-c3cn(Cc4ccc(F)cc4)c(O)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80223817
41547,COCCCN1CCN(Cc2cccc(C3C=C(Nc4ccccc4)CCO3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46359402
41548,COCCOc1ccc(ON2CCC3=CC=CC=CC(CC3)N(C)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38346946
41549,CONc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5880573
41550,COc1cc2c(cc1C=O)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6895508
41551,COc1cc2c(cc1CO)C1Cc3cccc(COc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63638395
41552,COc1cc2c(cc1O)C1Cc3cccc(COC(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.80905527
41553,COc1cc2c(cc1O)C1Cc3cccc(OC(=O)NCCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43041596
41554,COc1cc2c(cc1O)C1Cc3cccc(OC4CCCCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7475158
41555,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)OCc3ccc([N+](=O)C#N)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4657799
41556,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(C=Cc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7677095
41557,COc1ccc(C(C)C)c(N2CCN(CCOc3ccc(ONC(C)=O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.550258
41558,COc1ccc(COc2cc3c(cc2OC)C2Cc4cccc(OC)c4CN2CC3)cc1OC,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6816377
41559,COc1ccc(OCCCF)cc1CN1CCN(S(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.26522717
41560,COc1ccc(OCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.8778262
41561,COc1ccc(OCCN2CCCCC2)cc1CS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.23413335
41562,COc1ccc(OCCNC(C)=O)cc1CCN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8735531
41563,COc1ccc(OCCSCCCc2ccc3c(c2)NC(=O)CC3)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.20050646
41564,COc1cccc2c1CN1CCc3cc(-c4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69201064
41565,COc1ccccc1N1CCN(CCN2CCC(Oc3ccc(Br)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74778104
41566,COc1ccccc1N1CCN(CCN2CCC(c3cccc4cnc(CO)cc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7876185
41567,Cc1cc(OCCCCOc2ccc3c(c2)NC(=O)CC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.21314621
41568,Cc1cc(OCCN2C(=O)CC3(CCCCC3)CC2=O)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.17026252
41569,Cc1cc(OCCN2CCC(c3ccc(F)cc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.7052802
41570,Cc1cc(OCCN2CCN(Cc3cccc(OC(F)(F)F)c3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.30584955
41571,Cc1cc(OCCN=S(C)(=O)O)ccc1ONC(=O)Cc1ccc2c(c1)CC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.053865336
41572,Cc1cc(OCCNC(=O)COc2ccc3c(c2)NCCC3)ccc1ONC=O,[*]CCOc1ccc(O[*])c([*])c1,0.04622894
41573,Cc1cc(OCCNS(=O)(=O)c2ccccc2C)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.06168851
41574,Cc1ccc(-c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1C#N,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5991505
41575,O=C(NCCN1CCN(O)CC1)c1ccc(-c2ccc([N+](=O)[O-])cc2)c(CO)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.18882796
41576,O=C1c2ccccc2S(=O)(=O)N1CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7068873
41577,OCc1cc2c(cc1O)CCN1Cc3c(CCc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6397687
41578,Oc1cc2c(cc1Cl)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71032083
41579,C#Cc1cc2c(cc1OC)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6780816
41580,CC(=O)CCCN1CCN(Cc2cccc(Cc3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57629323
41581,CC(C)c1cccc(CN2CCN(CCCCN3C(=O)c4ccccc4S3(=O)=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6587496
41582,CCCOc1ccc(OC(=O)NC)c(NCC2CCc3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2218417
41583,CCCOc1ccc(OC(O)COc2ccc3c(c2)NC(=O)CC3)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21514255
41584,CCCOc1ccc(OC)c(CN2CCC(S(=O)(=O)c3ccccc3C=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4966724
41585,CCCOc1ccc(ON(C)S(C)(=O)=O)c(CCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09714791
41586,CCCOc1ccc(ON=S(C)(=O)O)c(NCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07829983
41587,CCCOc1ccc(OS(=O)(=O)NC(C)=O)c(NCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.038398974
41588,CCCOc1ccc(OS(C)(=O)=O)c(-c2ccc3c(c2)C(c2ccccc2C)CCN(CC)C3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.44818684
41589,CCCc1ccccc1N1CCN(CCN2CCC(n3cc(F)cnc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7439349
41590,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccccc1C=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30852643
41591,COc1cc2c(cc1-c1cnc3ccccc3c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6406313
41592,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66717005
41593,COc1cc2c(cc1OC(=O)NCc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39640716
41594,COc1cc2c(cc1OC)C1Cc3cccc(C(C)Oc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7442783
41595,COc1cc2c(cc1OCc1cccc3ccccc13)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.680275
41596,COc1ccc(OCCCN2CCN(C)CC2)cc1CF,[*]CCOc1ccc(O[*])c([*])c1,0.6007738
41597,COc1ccc(OCCCc2ccc(C(C)C)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07005168
41598,COc1ccc(OCCF)cc1CN1CCCN(c2cccc(Cl)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6583534
41599,COc1ccc(OCCN2CCC(C(=O)OCc3ccc(F)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4236961
41600,COc1ccc(OCCN2CCC(c3ccc(F)cc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.8341098
41601,COc1ccc(OCCN2c3ccccc3CC2CF)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.28183872
41602,COc1ccc(OCCN=S(C)(=O)O)cc1C(F)CCc1ccccn1,[*]CCOc1ccc(O[*])c([*])c1,0.0721038
41603,COc1ccc(OCCNC(=O)COc2ccccc2)cc1CSc1ccccc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.013779605
41604,COc1ccc(OCCNC(=O)Cc2cccnc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.041489493
41605,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1CNCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.07561221
41606,COc1ccc(OCCNCc2ccccc2)cc1S(=O)(=O)N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.28885797
41607,COc1ccc(OCCNCc2cccs2)cc1NS(=O)(=O)c1cccc(Cl)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13743329
41608,COc1ccc(OCCS(C)=O)cc1Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.086430594
41609,COc1ccc2c(c1)OC(c1ccccc1N1CCN(CCN3CCC(OC)CC3)CC1)CC2,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7792145
41610,COc1ccc2cccc(Cc3cccc4c3CN3CCc5cc(OC)c(O)cc5C3C4)c2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8328002
41611,COc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6696045
41612,COc1ccccc1-c1cc(C(=O)NCCN2CCN(F)CC2)ccc1C(C)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3745293
41613,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc4ccnn4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73621327
41614,CSc1ccc(C2(CNOc3ccc(OCCNS(C)(=O)=O)cc3C)CCNCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.11434465
41615,Cc1cc(OCCF)ccc1OC(=O)C1CCN(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4606284
41616,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCCC(CCc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.19644329
41617,Cc1ccc2cc1NC(=O)CC(CCNCCOc1ccc(ON=S(C)(=O)O)c(C)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.10795917
41618,N#Cc1cc2c(cc1O)C1Cc3cccc([O-])c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6267217
41619,O=C(C#Cc1ccccc1)NC1CCN(CCN2CCN(c3ccccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74382335
41620,O=C(c1ccc(O)o1)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65893346
41621,O=C1C=C(CCCN2CCN(Cc3cccc(Cl)c3)CC2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58118576
41622,O=C1Cc2ccccc2N1CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7436011
41623,O=S1(=O)C(O)c2ccccc2N1c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6725803
41624,O=c1c2ccccc2on1-c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58890593
41625,OC1c2ccccc2CCC1c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.75828403
41626,Oc1cccc2c1CN1CCc3cc(OC=Nc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6769275
41627,CC(=O)NCCOc1ccc(OCN2CCC(Oc3ccc4c(c3)NC(=O)CCS4)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.265434
41628,CC(=O)NOc1ccc(OCCNC(=O)CSc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.030002965
41629,CC(=O)c1ccccc1N1CCN(CCN2CCC(n3c(O)cc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.52356136
41630,CC1Cc2ccccc2N(C(=O)CCCN2CCN(Cc3cccc(Cl)c3)CC2)C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6993311
41631,CCCOc1ccc(OF)c(CN2CCC(COc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5861892
41632,CCCOc1ccc(ON2CCCCC2COc2ccccc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40519747
41633,CCCOc1ccc(ON2CCN(CCc3ccccc3OC)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7302698
41634,CCCOc1ccc(OOC)c(CC(=O)Nc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0069126226
41635,CCCOc1ccc(OOC)c(CNC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.025420947
41636,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3ccc(CCC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2595519
41637,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(c3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27550566
41638,CCCc1ccc(CCOc2ccc(OC)c(OC)c2)cc1C(=O)N1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.049223997
41639,CCNC(=O)Oc1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41961798
41640,CNC(=O)Cc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4026505
41641,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccc(-c4ccc(O)cc4)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.45902398
41642,COCCCN1CCN(Cc2cccc(Cc3ccc(OC)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5602576
41643,COCCOc1ccc(OC)c(CN2CCC(Nc3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.43872
41644,COCCOc1ccc(OC)c(CN2CCN(Cc3ccco3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.427017
41645,COCCOc1ccc(OCOc2ccc(F)cc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12199147
41646,COCc1cccc2c1CN1CCc3cc(O)c(-c4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66924185
41647,COOc1ccc(OCCC(C)Cc2cccc(S(C)(=O)=O)c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.09896143
41648,COc1cc2c(cc1O)C1Cc3cccc(Oc4ccccc4C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7128959
41649,COc1cc2c(cc1O)CCN1Cc3c(CCN4CCCCC4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6230966
41650,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cccc(F)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7182127
41651,COc1cc2c(cc1OC)C1Cc3cccc(COc4cccc(COc5ccccc5)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69341356
41652,COc1cc2c(cc1OC)C1Cc3cccc(N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.810389
41653,COc1ccc(OCCN2CCC(NC(=O)c3ccc(SC)cc3)C2)cc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.50321734
41654,COc1ccc(OCCS(C)(=O)=O)cc1C1CCC(Cc2ccccc2OC2CC2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.17091043
41655,COc1ccc(OCCS(C)(=O)=O)cc1CC(C)Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07645264
41656,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(Cc2ccc3c(c2)NC(=O)CC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.34714708
41657,COc1cccc(CN2CCN(CCCN3c4ccccc4CCC3(C)C)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.617473
41658,COc1cccc2c1CN1CCc3cc(C(N)=O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50980777
41659,COc1ccccc1C=Nc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7027234
41660,COc1cnc(Cc2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7454449
41661,CS(=O)(=O)NOc1ccc(OCCF)cc1CN1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.23872606
41662,Cc1cc(OCCCNCc2ccco2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.08481067
41663,Cc1cc(OCCN(C)S(C)(=O)=O)ccc1ON1CCCC(Cc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.30211398
41664,Cc1cc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)ccc1OS(=N)O,[*]CCOc1ccc(O[*])c([*])c1,0.5655624
41665,Cc1cc(OCCN2CCC(NC(=O)Cc3ccc(F)cc3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.28883472
41666,Cc1cc(OCCNc2ccccc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.035040915
41667,Cc1cc(OCCOS(C)(=N)=O)ccc1ONC(=O)Cc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.073099546
41668,Cc1ccccc1N1CCN(CCN2CCC(Cc3nc4ccccc4s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5829193
41669,Cc1ccccc1N1CCN(CCN2CCC(NCc3ccncc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6842458
41670,NC(=O)c1ccccc1N1CCN(CCN2CCC(F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6700715
41671,O=C(NCCCCN1CCN(Cc2cccc(Cl)c2)CC1)c1ccccc1C1CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6687465
41672,Oc1cc2c(cc1-c1cccc(F)c1)CCN1Cc3c(Br)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70074207
41673,Oc1ncc(C2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)o1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72977024
41674,CC(=O)Oc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1ccc([N+](=O)[O-])cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.123940356
41675,CC(C)Oc1ccccc1N1CCN(CCN2CCC(n3cccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83469677
41676,CC=S(O)(O)=NCCCCN1CCN(Cc2cccc(OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6621603
41677,CCC(=O)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5730117
41678,CCCCNOc1ccc(OCCC)cc1C=O,[*]CCOc1ccc(O[*])c([*])c1,0.11981736
41679,CCCOc1ccc(OC)c(CN2CCCC(C(=O)c3ccc(S(C)(=O)=O)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1120202
41680,CCCOc1ccc(OCONC)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10917264
41681,CCCOc1ccc(OS(C)(=O)=O)c(C=Cc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12626235
41682,CCCOc1ccc(OS(C)(=O)=O)c(NCCC2CCc3cc(OC)c(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39287227
41683,CCCc1ccccc1OC1CCN(CCOc2ccc(ON)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.71786577
41684,CCNc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6216062
41685,CN=CCCOc1ccc(OC)c(N2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36971208
41686,COC(=O)NCCCc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5308703
41687,COC(=O)c1ccc(Cc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4321629
41688,COC1CCN(CCN2CCN(c3ccccc3N3C=C(c4ccc(F)cc4)c4cc(O)nc3c4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6845129
41689,COCCCN1CCN(Cc2cccc(Nc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48755157
41690,COCCOc1ccc(OCN2CCCN(c3ccc(C(F)(F)F)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4673053
41691,COc1cc2c(cc1-c1ccc3ccccc3n1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66486937
41692,COc1cc2c(cc1C(=O)Nc1c(Cl)cccc1Cl)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3941129
41693,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(C=N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62372816
41694,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccc(OCc5ccccc5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68989694
41695,COc1cc2c(cc1O)CCN1Cc3c(C=O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7744131
41696,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)OCc3cccc([N+](=O)F)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5239934
41697,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccnc5cccc(N)c45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64787185
41698,COc1cc2c(cc1OCc1ccco1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6329279
41699,COc1ccc(CO)cc1-c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61425215
41700,COc1ccc(OCCC2CCN(C(=O)c3ccc(F)cc3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.074403614
41701,COc1ccc(OCCN2CCC(C(=O)c3ccc(C)s3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3661029
41702,COc1ccc(OCCN2CCN(c3cccc(Cl)c3)CC2=O)cc1[SH](C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.26519713
41703,COc1ccc(OCCNCC2CCC(O)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08103982
41704,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(c2ccccc2)C(=O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.27994007
41705,COc1ccc(OCCS(N)(=O)=O)cc1C(=O)COc1ccc2c(c1)N(C)C(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.23924129
41706,COc1cccc(CN2CCN(CCCc3cccc4occc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6695208
41707,COc1cccc2c1CN1CCc3cc(C[O-])c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.690882
41708,COc1cccc2cccc(Cc3cc4c(cc3O)C3Cc5cccc(O)c5CN3CC4)c12,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7349238
41709,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(C)s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8568451
41710,COc1ccccc1N1CCN(CCN2CCC(Nc3cc(-c4ccccc4)ccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8902822
41711,Cc1cc(OCCF)ccc1ON1CCN(C(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.077537015
41712,Cc1cc(OCCN(C)S(C)(=O)=O)ccc1ON1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.28161088
41713,Cc1cc(OCCOCc2ccc3c(c2)NC(=O)CC3)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.25111598
41714,Cc1ccc(OCC(=O)NOc2ccc(OCCS(N)(=O)=O)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.009864724
41715,Cc1cccc(CCCCN2CCN(Cc3cccc(C)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7242177
41716,Clc1cccc(CN2CCN(CCCc3csc(-c4ccccc4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7174562
41717,Clc1ccccc1N1CCN(CCN2CCC(Nc3nccc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77640605
41718,O=C(NCc1cccc(CN2CCN(CCCOc3ccccc3)CC2)c1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5128101
41719,O=C(c1cccc(CN2CCN(CCCF)CC2)c1)C1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5723535
41720,O=C(c1cccc(CN2CCN(CCCO)CC2)c1)N1CCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5487663
41721,Oc1cc2c(cc1Br)CCN1Cc3c(Br)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79681575
41722,CC1CCN(CCN2CCN(c3ccccc3C(=O)c3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66394866
41723,CCCOc1ccc(ON2CCN(c3ccccc3OCC)CC2)c(NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37430522
41724,CCCOc1ccc(ONC(C)=O)c(N2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20248836
41725,CCCOc1ccc(OS(C)(=O)=O)c(NCC(C)c2ccc(Cl)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.056180034
41726,CCOc1cc2c(cc1OC)CCN1Cc3c(cccc3OCc3ccc(C#N)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6760195
41727,CCOc1ccccc1-c1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61279666
41728,CCOc1ccccc1N1CCCN(CCOc2ccc(OC)c(C(C)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.73193246
41729,COC(=O)c1ccc2ccccc2c1-c1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4536962
41730,COC1CCN(CCN2CCN(c3ccccc3-n3cc(-c4ccc(Br)cc4)nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7095689
41731,COC1CCN(CCN2CCN(c3ccccc3-n3ccc(Cl)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7899547
41732,COC1CCN(CCN2CCN(c3ccccc3CN3CCc4cc(C#N)ccc4C3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75869197
41733,COCCC1CCCN(c2cc(OCCS(C)(=O)=O)ccc2OC)C1,[*]CCOc1ccc(O[*])c([*])c1,0.26783848
41734,COCCOc1ccc(OCNC(=O)c2ccccn2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.028103728
41735,COCc1cc2c(cc1OC)C1Cc3cccc(OCc4ccc(OC)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.729997
41736,COOc1ccc(OCCNCS(=O)(=O)c2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.08311083
41737,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1cccc(N)c1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.24100254
41738,COc1cc(OCCCNc2ccccc2OCCF)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.12249388
41739,COc1cc(S(C)(=O)=O)ccc1NC(=O)Oc1ccc(OCCF)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.027838252
41740,COc1cc2c(cc1-c1cc(C)ccc1C)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68554246
41741,COc1cc2c(cc1O)C1Cc3cccc(C(=O)Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.572449
41742,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7049247
41743,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)NCc4ccc5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4764789
41744,COc1ccc(OCCCN2CCC(c3ccccn3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.8344256
41745,COc1ccc(OCCN2CCC(C(=O)c3cc(F)ccc3C)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.49654263
41746,COc1ccc(OCCN=S(C)(=O)O)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.04560508
41747,COc1ccc(OCCNC(=O)Cc2cccc(N3CCNC3)c2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09878814
41748,COc1ccc2c(c1)OC(CNc1ccccc1N1CCN(CCN3CCC(OC)CC3)CC1)CC2,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4568799
41749,COc1ccc2cccc(NC(=O)c3cccc4c3CN3CCc5cc(OC)c(OC)cc5C3C4)c2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.29111248
41750,COc1cccc2c1CN1CCc3cc(-c4c(CO)ccc5ccccc45)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6996846
41751,COc1cccc2c1CN1CCc3cc(-c4cccc(N(C)C)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70415854
41752,COc1cccc2c1CN1CCc3cc(C(=O)N(C)C)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.535139
41753,COc1ccccc1CC1CCCN(CCOc2ccc(OC)c(OC)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.56084573
41754,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cccnn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8656467
41755,COc1ccccc1N1CCN(CCN2CCC(c3cc4cccnc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6839025
41756,CSc1cc(OCCN2CCCCC2)ccc1OCS(=O)(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.31701785
41757,Cc1cc(OCCNCCc2ccc(F)cc2)ccc1ON1CCNC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.17854899
41758,Cc1cccc2c1CN1CCc3cc(Cc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60488486
41759,Clc1cccc(CN2CCN(CCCCNc3nccc4ccccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7459518
41760,O=C(NCC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)c1ccc2ccccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79723275
41761,O=C(O)c1cc2c(cc1-c1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5285034
41762,O=C(c1cccc(CN2CCN(CCCCc3ccccc3)CC2)c1)N1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5069018
41763,O=C(c1cnc2ccccc2n1)C1CCN(CCN2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4938263
41764,O=S(=O)(NCCCCN1CCN(Cc2cccc(F)c2)CC1)c1cccs1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58399636
41765,Oc1cc2c(cc1C=NCc1ccc(Cl)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6030015
41766,Oc1cc2c(cc1O)C1Cc3cccc(Cc4ccccn4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61946684
41767,Oc1cccc2c1CN1CCc3cc(Oc4cccc(C(F)(F)F)c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7348331
41768,CC(C)(C)c1cccc2c1CN1CCc3cc(Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7411608
41769,CCCOc1cc2c(cc1O)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69554746
41770,CCCOc1ccc(OCN2CCN(c3ccccc3OC)CC2)c(C(=O)OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5077525
41771,CCCOc1ccc(ON2C=C(C(=O)O)CCC2)c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18872294
41772,CCCOc1ccc(ON2CCN(C(C)c3ccc(F)cc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27680826
41773,CCCOc1ccc(ON2CCN(c3ccccc3OCC)CC2)c(COC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35783938
41774,CCCOc1ccc(OOC)c(CN2CCN(c3ccccc3OCCF)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.89673054
41775,CCCOc1ccc(OOC)c(CNC(=O)c2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.02568142
41776,CCOC(=O)c1cccc(N2CCN(CCOc3ccc(OC)c(SC)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.54713047
41777,CCc1ccc(OC2CCCN(c3cc(OCCNS(C)(=O)=O)ccc3OC)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.2120507
41778,COC1CCN(CCN2CCN(c3ccccc3-c3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76235205
41779,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccc4c(c3)NC(=O)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6716921
41780,COCCCN1CCN(Cc2cccc(-c3cccc(NC(=O)C4CCCCC4)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.26422423
41781,COCCCN1CCN(Cc2cccc(CNC(=O)c3cccc(C)c3C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.33042955
41782,COCc1cc2c(cc1Oc1cccc(OC)c1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75238746
41783,COOc1ccc(OCCCN2CCN(Cc3ccccc3OC)CC2)cc1C=O,[*]CCOc1ccc(O[*])c([*])c1,0.47102723
41784,COOc1ccc(OCCF)cc1CCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.19020158
41785,COOc1ccc(OCCc2ccc(C(C)C)cc2)cc1C(=O)Nc1ccccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.025802353
41786,COc1cc2c(cc1-c1ccsc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7233683
41787,COc1cc2c(cc1O)C1Cc3cccc(CCc4ccc[nH]4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.84748405
41788,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3c[nH]c4ccccc34)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75200635
41789,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(CON(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6165071
41790,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccccc1[S+][O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.34921712
41791,COc1ccc(C)cc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.19741903
41792,COc1ccc(OCCC(=O)Cc2ccc3c(c2)NC(=O)CC3)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.15645343
41793,COc1ccc(OCCCN2CCC(C)OC2C)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.3808948
41794,COc1ccc(OCCN)cc1CN1CCC(c2ccccc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6509199
41795,COc1ccc(OCCN2CCCC(c3cccc(C(F)(F)F)c3)C2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.5840661
41796,COc1ccc(OCCNC(=O)COc2ccccc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.04149887
41797,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1N1CCN(CC(N)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31694737
41798,COc1ccc(OCCNS(C)(=O)=O)cc1C1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19428681
41799,COc1ccc(OCCNS(C)(=O)=O)cc1CN1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.39783803
41800,COc1ccc(OCCS(C)(=O)=O)cc1CCCc1ccc2c(c1)CCC(C)O2,[*]CCOc1ccc(O[*])c([*])c1,0.28858188
41801,COc1cccc2c1CN1CCc3cc(C(=O)OCc4ccc(OC(F)(F)F)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50137836
41802,COc1ccccc1-c1cc(C(=O)NCCN2CCN(C)CC2)ccc1NC(C)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.22023244
41803,COc1ccccc1N1CCN(CCN2CCC(n3nc(-c4ccccc4)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7832581
41804,COc1ccccc1Nc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5347936
41805,CSc1cccc(CN2CCN(CCCC3Cc4ccccc4NC3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5638612
41806,Cc1cc(OCCN2CC=C(c3ccc(F)cc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4135051
41807,Cc1cc(OCCN2CCC(c3ccc(F)c(SC=O)c3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6062261
41808,Cc1cc(OCCN2CCCC(c3ccccc3C)C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.37845847
41809,Cc1cc(OCCN2Cc3ccc(C(N)=O)cc3CC(C)C2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.24430834
41810,Cc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6435521
41811,N#Cc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85377
41812,O=c1ccc2ccccc2cc1-c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64774305
41813,OCc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c2cc[nH]c12,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7152779
41814,Oc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(Oc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6535319
41815,C#CCOc1ccccc1N1CCN(CCN2CCC(Oc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83295256
41816,CCCOc1ccc(OCN2CCN(C)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33528018
41817,CCCOc1ccc(OCNS(C)(=O)=O)c(N2CCC(CC(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26509818
41818,CCCOc1ccc(ON=S(C)(=O)O)c(NCCc2ccc3c(c2)OC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1698846
41819,CCCOc1ccc(ONCCCc2ccco2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0649411
41820,CCCOc1ccc(OOC)c(N2CCN(c3ccccc3C(C)=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18147233
41821,CCCOc1ccc(Oc2ccc(F)cc2)c(NS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09869342
41822,CCOC(=O)c1cc(OCCCCCc2ccc3c(c2)NC(=O)CC3)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.10444828
41823,CCOc1ccccc1N1CCN(CCOc2ccc(OOC)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7409418
41824,COC(=O)Nc1ccc(COC(=O)c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.37062946
41825,COC1CCN(CCN2CCN(c3ccccc3-c3ccc4nc(O)n(C)c4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.61624914
41826,COC1CCN(CCN2CCN(c3ccccc3-c3cnc4cc(O)ccn34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65277785
41827,COC1CCN(CCN2CCN(c3ccccc3-n3cnc(C)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74551344
41828,COOc1ccc(OCCNC(=O)COc2cccc(F)c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.010645296
41829,COc1cc2c(cc1O)C1Cc3cccc(Cc4cccc5cccc(C#N)c45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6921148
41830,COc1cc2c(cc1O)CCN1Cc3c(COCc4ccc5ccccc5c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71404225
41831,COc1cc2c(cc1OC)CC(CNCCOc1ccc(OSC)c(C)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.26095232
41832,COc1ccc(Cc2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c2ccccc12,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7900752
41833,COc1ccc(OCCC2CCCCC2Cc2ccc(F)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.18809934
41834,COc1ccc(OCCCN2CCN(c3ccccn3)CC2)cc1C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.90531355
41835,COc1ccc(OCCF)cc1CN1CCC(S(=O)(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.41768092
41836,COc1ccc(OCCN2CCC(S(=O)(=O)c3cc(F)ccc3F)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.72580475
41837,COc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1NC(=O)Cc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.009833161
41838,COc1ccc(OCCNC=O)cc1N1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.24240787
41839,COc1ccc(OCCNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.015864765
41840,COc1ccc(OCCS(C)(=O)=O)cc1C(C)Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06945334
41841,COc1ccc(OCCS(C)(=O)=O)cc1CC(=O)Cc1ccc2c(c1)NC(=O)CCC2,[*]CCOc1ccc(O[*])c([*])c1,0.13531093
41842,COc1ccc(OCCS(C)(=O)=O)cc1N1C(=O)CCc2cccc(CC3CCC3)c21,[*]CCOc1ccc(O[*])c([*])c1,0.23849471
41843,COc1ccc(OCCS(C)(=O)=O)cc1NC(=O)COc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.009385684
41844,COc1cccc(CN2CCN(CCCNC(=O)c3sc4ccccc4c3OC)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.2998957
41845,COc1cccc2c1CN1CCc3cc(OCc4cc5ccccc5cn4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66456944
41846,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc(C#N)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7930212
41847,COc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3ccncc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8411395
41848,CSOc1ccc(OCCN2CCC(=O)C=C2c2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.2604394
41849,CSc1ccccc1N1CCN(CCN2CCC(n3ccc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70952857
41850,Cc1cc(OCCF)ccc1ON1CCN(Cc2cccc(S(N)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.34697136
41851,Cc1cc(OCCNC(=O)COc2ccc3c(c2)CCCC3)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.039111294
41852,Cc1cc(OCCNS(=O)(=O)c2ccc(F)cc2)ccc1OOCC1CCNC1,[*]CCOc1ccc(O[*])c([*])c1,0.15707669
41853,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCC(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24968368
41854,Cc1cccc(-c2cc3c(cc2Br)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66507846
41855,Cc1cccc2c1CN1CCc3cc(Br)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6910251
41856,Cn1c(O)c2ccccc2c1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7294136
41857,N#Cc1ccccc1-c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6317756
41858,O=C(CC1CCCC1)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.28464684
41859,O=C(Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)c1ccco1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.380059
41860,O=C1CCN(CCN2CCN(c3ccccc3-n3c(O)nc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6709654
41861,O=[N+]([O-])c1cc2c(cc1Cc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.509332
41862,O=c1ccc2cc(Oc3cccc(CN4CCN(CCCF)CC4)c3)ccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65595156
41863,CC(=O)NOc1ccc(OCCNCc2ccc(Cl)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.06887098
41864,CC(C)(C)OC(=O)NCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4111019
41865,CCCCN1C=C(Oc2ccc(OCCCN3CCN(c4ccccc4OC)CC3)cc2C)CCN1,[*]CCOc1ccc(O[*])c([*])c1,0.8366285
41866,CCCCOc1ccc(OOC)c(N2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36314988
41867,CCCOc1ccc(OC)c(CC2CCN(S(C)(=O)=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16480722
41868,CCCOc1ccc(OCN2CCCN(c3ccc(F)cc3)CC2)c(OC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33405793
41869,CCCOc1ccc(OS(C)(=O)=O)c(-c2cc3c(cc2CC2CCCCC2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2723186
41870,CCCOc1ccc(OS(C)(=O)=O)c(NS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07496386
41871,CCOc1ccccc1N1CCN(CCN2CCC(c3ccc(O)c(O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7369951
41872,CCS(=O)(O)=Nc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67900795
41873,CNC(=O)c1cc(OCCN2CCN(Cc3cccs3)CC2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.33808434
41874,COC(=O)c1cccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2C)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.20274611
41875,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(Oc4ccccc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.781703
41876,COC1CCN(CCN2CCN(c3ccccc3-c3ccc4[nH]c(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7152441
41877,COC1CCN(CCN2CCN(c3ccccc3-n3cccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68062675
41878,COC1CCN(CCN2CCN(c3ccccc3Oc3cc4c(cc3O)NC(=O)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7659601
41879,COCCOc1ccc(OC)c(NC(=O)COc2ccc(C(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.007211766
41880,COc1cc2c(cc1CNCc1cccc(C)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5741244
41881,COc1cc2c(cc1O)C1Cc3cccc(C(=O)Nc4ccc5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43953434
41882,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)c3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5540408
41883,COc1cc2c(cc1OC)C1Cc3cccc(C(F)(F)OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6997429
41884,COc1cc2c(cc1OCC1CC1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7619684
41885,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc([N+](=O)C(C)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43095207
41886,COc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(NC(=O)OCc5ccccc5)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.31122303
41887,COc1ccc(C(=O)c2ccccc2N2CCN(CCN3CCC(C)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6055922
41888,COc1ccc(OCCC2CNCCC2F)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.18373175
41889,COc1ccc(OCCN2CCCC(Oc3ccc(C)cc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.29556197
41890,COc1ccc(OCCN=S(C)(=O)O)cc1CCN1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5962596
41891,COc1ccc(OCCOC(C)=O)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.018056355
41892,COc1ccc(OCCS(C)(=O)=O)cc1NCC1CCc2ccc(OC3CCCC3)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.31824237
41893,COc1cccc(CN2CCN(CCCCNC(=O)c3cc4ccc(OC)cc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5851781
41894,COc1cccc(CN2CCN(CCCCNC3(c4ccccc4)CCCC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65220296
41895,COc1ccccc1N1CCN(CCN2CCC(COc3ccc(Br)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80537564
41896,Cc1cc(OCCC=S(O)c2ccc(F)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.06914655
41897,Cc1cc(OCCF)ccc1ON1CCC(S(=O)(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23527293
41898,Cc1cc(OCCF)ccc1ONC(=O)C1CCCN1,[*]CCOc1ccc(O[*])c([*])c1,0.09500593
41899,Cc1cc(OCCF)ccc1ONC(=O)CCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.06545096
41900,Cc1cc(OCCF)ccc1ONCc1ccccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06671982
41901,Cc1cc(OCCN2CCC(Oc3ccc(CC4CCCCC4)cc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.47180602
41902,Cc1cc(OCCN2CCN(C)CC2)ccc1OS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.3015732
41903,Cc1cc(OCCN2CCN(C3CCCCC3)CC2)ccc1ONS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.33516935
41904,Cc1ccccc1N1CCN(CCN2CCC(Oc3ccc4cc(O)ccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6257209
41905,Clc1ccccc1N1CCN(CCN2CCC(OCC#Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7435932
41906,O=C(NCCN1CCN([N+](=O)[O-])CC1)c1ccc(O)c(-c2ccccc2)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3417266
41907,O=c1c(-c2cccc(CN3CCN(CCCCl)CC3)c2)csc2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6402427
41908,Oc1cc2ccc(F)cc2n1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77261835
41909,Oc1nccc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7324659
41910,CCC#Cc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74766505
41911,CCCOc1ccc(OC)c(N2CCCN(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27489433
41912,CCCOc1ccc(ON=S(C)(=O)O)c(CCc2ccc(OC3CCNC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20434535
41913,CCCOc1ccc(OOC)c(CCOc2cccc(F)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14848477
41914,CCN(CC)C(=O)c1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61167926
41915,CCOCc1cccc2c1CN1CCc3cc(OCc4ccc(OC)cc4)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73197085
41916,CCc1ccccc1OCC(=O)NCCOc1ccc(OSC)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.033947065
41917,CN(CCCCN1CCN(Cc2cccc(Cl)c2)CC1)S(=O)(=O)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6035712
41918,COCCCN1CCN(Cc2cccc(-c3ccc4cc(OC)ccc4n3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54203635
41919,COCc1cc2c(cc1OC)CCN1Cc3c(cccc3-c3cccc(C#N)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53365505
41920,CON=Cc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65602666
41921,CON=Cc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7274253
41922,COOc1ccc(OCCC2CCN(c3ccccc3OC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.3463645
41923,COS(=O)(=O)NOc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.013738529
41924,COc1cc(C(=O)NCCN2CCN(O)CC2)ccc1-c1ccccc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32941687
41925,COc1cc2c(cc1O)C1Cc3cccc(-c4cccc(Oc5ccccc5)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5107858
41926,COc1cc2c(cc1O)C1Cc3cccc(-c4cccc([N+](=O)c5ccccc5)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6264106
41927,COc1cc2c(cc1O)C1Cc3cccc(C(=O)Nc4cccc(Cl)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35877788
41928,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccccc4F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7756621
41929,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(C(C)(C)C)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7341647
41930,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cccs3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.757937
41931,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)OCc3ccc(F)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5507551
41932,COc1cc2c(cc1O)CCN1Cc3c(cccc3Oc3ccc4ccccc4c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76860636
41933,COc1cc2c(cc1OC)C1Cc3cccc(-c4cccc(CON(C)C)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5115126
41934,COc1cc2c(cc1OC)C1Cc3cccc(-n4ccc(COC(C)=O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42449996
41935,COc1cc2c(cc1OC)C1Cc3cccc(C=[N+](O)C(F)(F)F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7517041
41936,COc1ccc(-c2cccc(CN3CCN(CCCF)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6025205
41937,COc1ccc(COc2cc3c(cc2OC)CCN2Cc4c(cccc4C(C)=O)CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4417292
41938,COc1ccc(OCCCc2cccc(C(C)=O)c2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.040475145
41939,COc1ccc(OCCN2CCC(CCc3ccccc3)CC2)cc1CCO,[*]CCOc1ccc(O[*])c([*])c1,0.6725452
41940,COc1ccc(OCCNCC2CC(=O)C=C(C)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.104924984
41941,COc1ccc(OCCO)cc1N1CCCC(c2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.3307843
41942,COc1ccc(OCCOS(C)(=O)=O)cc1NCCCC1CCC2=CCCCC1CC2,[*]CCOc1ccc(O[*])c([*])c1,0.1487636
41943,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC2CCc3ccc(c(c3)CC1)C(=O)CCC2=O,[*]CCOc1ccc(O[*])c([*])c1,0.26652429
41944,COc1ccc2nc(O)cc(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)c2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6930075
41945,COc1cccc(CN2CCN(CCCCc3ccccc3OC(C)=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54708385
41946,COc1cccc(Cc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6739869
41947,COc1ccccc1N1CCN(CCN2CCC(c3ccc4nc(O)ccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81356454
41948,COc1ccccc1N1CCN(CCN2CCC(c3cccc(F)ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87784743
41949,COc1ccccc1N1CCN(CCN2CCC(c3ccn[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79339296
41950,Cc1cc(O)n(C2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6723704
41951,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC(=O)C4)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5624138
41952,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1C(=O)CCc2ccc(CC3CCC3)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.21096367
41953,Cc1cc(OCCNCc2ccc(S(C)(=O)=O)cc2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.12835306
41954,Cc1ccccc1N1CCN(CCN2CCC(Cc3ccc(O)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6120088
41955,O=C(NCCCN1CCN(Cc2cccc(Cl)c2)CC1)c1ccccc1-c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.42008722
41956,O=C(Nc1ccccc1O)Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35822344
41957,Oc1cc2c(cc1N=COc1ccccc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5505807
41958,CC(=O)NOc1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.47736698
41959,CC(=O)Nc1ccc(F)c(CCOc2ccc(ON3CCN(C)CC3)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1581826
41960,CC(=O)c1ccc(NC2CCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4245734
41961,CC(C)OC1CCN(CCN2CCN(c3ccccc3C(=O)NCc3ccc(C#N)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.62763983
41962,CCCCN1CCN(Cc2cccc(-c3cccc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53004014
41963,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCCC(Oc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18063264
41964,CCCOc1ccc(OOC)c(C2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3035665
41965,CCCOc1ccc(OS(C)(=O)=O)c(CC(=O)Cc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04897384
41966,CCCOc1ccc(OS(C)(=O)=O)c(OC(C)COc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09377661
41967,CCOCc1cc2c(cc1O)C1Cc3cccc(Oc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6214083
41968,CCc1cccc2c1CN1CCc3cc(OCc4ccccc4)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77667326
41969,COC1CCN(CCN2CCN(c3ccccc3NC(O)C=Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4604039
41970,COCCCN1CCN(Cc2cccc(-c3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63675773
41971,COCCOc1ccc(OC2CCN(CCc3ccccc3OC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6758658
41972,COOc1ccc(OCCCN2CCN(c3ccccc3C(C)C)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.77353513
41973,COc1cc2c(cc1O)C1Cc3cccc(C4CCN(OCc5ccccc5)CC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72805476
41974,COc1cc2c(cc1O)C1Cc3cccc(O[N+](=O)c4ccc(C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65263915
41975,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3cccc(CO)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7221863
41976,COc1cc2c(cc1OC)C1Cc3cccc(-c4cccc(C)c4C#N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6504693
41977,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)OCc4cccc(C(F)(F)F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47074547
41978,COc1ccc(OCCC(C)Cc2ccccc2)cc1CN1CCC(S(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5374544
41979,COc1ccc(OCCCc2ccc(C(C)=O)cc2)cc1CN(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.0454655
41980,COc1ccc(OCCNC(=O)CCc2ccccc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.024749393
41981,COc1ccc(OCCOS(C)(=O)=O)cc1C(C)COc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.1781349
41982,COc1ccc(OCCS(C)(=O)=O)cc1C1CC(c2ccc(F)cc2)CCN1CF,[*]CCOc1ccc(O[*])c([*])c1,0.32393876
41983,COc1ccc(OCCS(N)(=O)=O)cc1N1CCC(CC2CCCC(=O)C2)=CC=C2C=CC(CC1)O2,[*]CCOc1ccc(O[*])c([*])c1,0.15354311
41984,COc1cccc(CN2CCN(CCCCn3c(=O)oc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6593208
41985,COc1cccc2c1CN1CCc3cc(-c4cccc(F)c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64958316
41986,COc1cccc2c1CN1CCc3cc(C)c(-c4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6578203
41987,COc1cccc2c1CN1CCc3cc(O)c(OS(=O)(=O)C(F)(F)F)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73996043
41988,Cc1cc(OCCF)ccc1ON=CC1Cc2ccccc2C(=O)N1C,[*]CCOc1ccc(O[*])c([*])c1,0.30686498
41989,Cc1cc(OCCN2CCCC(Cc3ccc(F)cc3F)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.43549734
41990,Cc1cc(OCCN2CCCC(c3ccc(F)cc3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4999482
41991,Cc1cc(OCCN=S(C)(=O)O)ccc1ONC(=O)Cc1ccc(OC2CCNCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.02908301
41992,Cc1cc(OCCNS(C)(=O)=O)ccc1OCc1ccc(OCC(F)(F)F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.0705388
41993,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCCC(c2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.23835982
41994,Cc1cc(OCCS(C)(=O)=O)ccc1ONCC1CCN(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3782546
41995,Cc1cccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2O)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2976857
41996,Cc1ccnc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5895786
41997,ClC1CCN(CCN2CCN(c3ccccc3-n3cnc(-c4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7977292
41998,ClCCCN1CCN(Cc2cccc(Oc3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6646123
41999,Clc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7265105
42000,FCCOC1CCN(CCN2CCN(c3ccccc3-c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8231621
42001,Oc1cc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c(-c2ccccc2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7402267
42002,Oc1nc2cc(Cl)ccc2n1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7481663
42003,Sc1ccccc1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70323026
42004,CC(C)c1ccccc1N1CCN(CCN2CCC(c3ccc(-c4cccnc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7313299
42005,CCC(=O)Nc1cccc2c1CN1CCc3cc(C)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.19860184
42006,CCC(=O)c1cccc2c1CN1CCc3cc(O)c(C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45154965
42007,CCCOc1ccc(OC(=O)Nc2ccc(F)cc2)c(N(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.024374805
42008,CCCOc1ccc(ON2CCN(C(c3ccccc3)c3ccccc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2913891
42009,CCCOc1ccc(ON2CCN(C)CC2)c(C2CCCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.41079968
42010,CCN(Cc1ccccc1)C(=O)c1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50601536
42011,CCOCCCN1CCN(Cc2cccc(Oc3ccc4c(c3)NC(=O)CC4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6529308
42012,CCc1ccc(OCCOc2ccc(OCCOS(C)(=O)=O)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06500936
42013,CNC(=O)N(c1ccccc1)C1CCN(CCN2CCN(c3ccccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85788274
42014,CNCc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5892443
42015,COC1CCN(CCN2CCN(c3ccccc3C3CCc4cc(F)ccc4C3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76364535
42016,COCCCN1CCN(Cc2cccc(C3=CS(=O)(=O)c4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5616299
42017,COCCCN1CCN(Cc2cccc(N3C(=O)CC(C)(C)c4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55997056
42018,COCCOc1ccc(OCN2CCC(c3ccccc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4801881
42019,COOc1ccc(OCCF)cc1CN1CCN(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8133931
42020,COc1cc(C(=O)NCCN2CCN([N+](=O)[O-])CC2)ccc1-c1ccccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.20311372
42021,COc1cc2c(cc1C)CCN1Cc3c(cccc3[N+](=O)c3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6030671
42022,COc1cc2c(cc1O)C1Cc3cccc(C(=O)NCCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48314837
42023,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccccc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33338702
42024,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccccc1[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35468104
42025,COc1ccc(OCCC(C)C)cc1N1CCC(Oc2ccc(C)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24117087
42026,COc1ccc(OCCN2CCC(Oc3ccc(C(C)=O)cc3)CC2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.41884905
42027,COc1ccc(OCCN2CCCC(S(=O)(=O)c3ccccc3F)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.43076923
42028,COc1ccc(OCCNC(=O)c2ccc(C(C)=O)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.022211665
42029,COc1ccc(OCCNC(=O)c2ccc(C(C)C)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.018667445
42030,COc1ccc(OCCNC=O)cc1N1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.35510898
42031,COc1ccc(OCCNS(C)(=O)=O)cc1CCCc1ccncc1,[*]CCOc1ccc(O[*])c([*])c1,0.09092446
42032,COc1ccc(OCCOS(C)(=O)=O)cc1OC1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.20778717
42033,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Cc2cccc3c2CC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.38239115
42034,COc1cccc2c1CN1CCc3cc(-c4cnc[nH]4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68921334
42035,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(F)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33439445
42036,COc1ccccc1C=Cc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79496497
42037,COc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3cccc(F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8402027
42038,COc1ccccc1N1CCN(CCN2CCC(c3cn(-c4ccc(F)cc4)c4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67078066
42039,Cc1cc(OCCF)ccc1ON1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.37062666
42040,Cc1cc2c(cc1Br)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75495446
42041,Cc1ccccc1N1CCN(CCN2CCC(n3cncc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7123835
42042,ClC1CCN(CCN2CCN(c3ccccc3-c3cnc4ncccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73117375
42043,Clc1cccc(CN2CCN(CCCCc3cnc(-c4ccccc4)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.74101794
42044,Clc1ccccc1N1CCN(CCN2CCC(CNc3nccs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77807903
42045,FC1CCN(CCN2CCN(c3ccccc3Nc3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4921491
42046,N#Cc1ccc([N+](=O)Oc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66385317
42047,O=C(F)Nc1cc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)ccc1F,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38793504
42048,O=C(Nc1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.34019032
42049,Oc1cc2c(cc1-c1ccc(OCc3ccccc3)cc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.671987
42050,Oc1cc2c(cc1-c1cccc(NCc3ccccc3)c1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5003749
42051,Oc1cccc2c1CN1CCc3cc(OCc4ccc[nH]4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7480499
42052,C=Cc1ccccc1OC1CCN(CCOc2ccc(ON)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6122858
42053,CC(=O)COc1ccccc1N1CCN(Oc2ccc(OCCS(C)(=O)=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18534115
42054,CC(=O)c1ccc(OC2CCN(CCOc3ccc(OOS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.42006683
42055,CCCOc1ccc(OC)c(CNC(=O)c2cc3ccccc3s2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.048700854
42056,CCCOc1ccc(OCNS(C)(=O)=O)c(N2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24769764
42057,CCCOc1ccc(ON2CCC(c3cc(NC(C)=O)ccc3F)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16800918
42058,CCCOc1ccc(ON2CCN(c3ccc(Cl)cc3)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3505697
42059,CCCOc1ccc(OS(C)(=O)=O)c(NCCc2cccc(CCC)c2OC2CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17179245
42060,CCCOc1ccc(OSC)c(N2CCN(c3cccc(OCC(F)(F)F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34242147
42061,CCS(=O)(=O)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6197733
42062,CN(C)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73678863
42063,CNS(=O)(=O)CCOc1ccc(ON2CCC(Cc3ccc(OC)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19966818
42064,COC1CCN(CCN2CCN(c3ccccc3-c3cccc(Oc4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81521344
42065,COC1CCN(CCN2CCN(c3ccccc3-n3cc(-c4ccc(F)cc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7642846
42066,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccc4cccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66445595
42067,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccc(-c4cccnc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.47939554
42068,COCCOc1ccc(OC)c(CN2CCC(c3ccccc3F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6081374
42069,COc1cc2c(cc1O)C1Cc3cccc(C4CCN(Cc5ccccc5)CC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69788235
42070,COc1cc2c(cc1O)C1Cc3cccc(OC(=O)c4ccc5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4961796
42071,COc1cc2c(cc1OCc1cccc(C)c1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6835998
42072,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccccc1[N+][O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.34296408
42073,COc1ccc(OCCC(N)=O)cc1N1CCC(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19327568
42074,COc1ccc(OCCN2CCC(NC(=O)c3ccccc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.49762723
42075,COc1ccc(OCCN2CCC(c3ccc(F)cc3)CC2)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.660845
42076,COc1ccc(OCCN=S(C)(=O)O)cc1-c1cccs1,[*]CCOc1ccc(O[*])c([*])c1,0.051713414
42077,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCC(COc2ccc3c(c2)CCC(=O)NC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.28160465
42078,COc1ccc(OCCNC(=O)c2cccs2)cc1CNCC1CCN(S(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.07781391
42079,COc1cccc(-c2cccc3c2CN2CCc4cc(OC)c(C)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5263552
42080,COc1cccc(CN2CCN(CCCC3(c4ccccc4)CCCCC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6472204
42081,COc1cccc(Cc2cccc3c2CN2CCc4cc(OC)c(OCc5ccccc5)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6342844
42082,COc1ccccc1N1CCN(CCN2CCC(n3c(O)cc4cc(F)ccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7224284
42083,COc1ccccc1NC(=O)c1cc(OCCNC(=O)Cc2ccc(F)cc2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.010302669
42084,Cc1cc(OCCCC(=O)c2ccc(F)cc2)ccc1ON1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.15778172
42085,Cc1cc(OCCF)ccc1ON1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23159763
42086,Cc1cc(OCCN(C)C)ccc1ON1CCCC(Cc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.36174852
42087,Cc1cc(OCCN2CCC(c3ccc(F)cc3)CC2)ccc1O[N+](=O)[O-],[*]CCOc1ccc(O[*])c([*])c1,0.5873928
42088,Cc1cc2c(cc1-c1ccc3ccccc3c1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6650602
42089,Cc1cc2c(cc1C=O)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60204023
42090,Cc1cccc(CN2CCN(CCCCNC(=O)C3CCCCC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54970497
42091,N#Cc1cccc(C(=O)NC2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8916245
42092,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)NCC1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.44746882
42093,O=C(NCCCN1CCN(Cc2cccc(Cl)c2)CC1)c1cc2ccccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4806622
42094,O=S1(=O)C=C(c2cccc(CN3CCN(CCCF)CC3)c2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6892561
42095,O=c1cc2ccccc2c(-c2cccc(CN3CCN(CCCCl)CC3)c2)o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62959933
42096,OCc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)[nH]1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6564707
42097,Oc1ccc2cc(Cc3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)ccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6804521
42098,CC(=O)c1ccccc1SNCCOc1ccc(OOS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04682762
42099,CC1CCN(CCN2CCN(c3ccccc3-c3ccc(C(F)(F)F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6497796
42100,CCC(=O)c1cc2c(cc1CO)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45081586
42101,CCCOc1ccc(OCN2CCC(Cc3ccccc3)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.48192236
42102,CCCOc1ccc(OF)c(N2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37822157
42103,CCCOc1ccc(ONC(=O)c2ccccc2OCC)c(N=CO)c1,[*]CCOc1ccc(O[*])c([*])c1,0.025795948
42104,CCOC(=O)c1ccc(C(=O)NCCN2CCN(OC)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.21582074
42105,CCc1cc(OCCF)ccc1ON1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.33215228
42106,CNC(=O)c1cc2c(cc1O)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4474307
42107,COC1CCN(CCN2CCN(c3ccccc3-n3nccc3-c3ccc(C(F)(F)F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65859294
42108,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7502281
42109,COC1CCN(Oc2ccc(OCCNS(=O)(=O)c3ccccc3)cc2C)C1,[*]CCOc1ccc(O[*])c([*])c1,0.26115936
42110,COCCCN1CCN(Cc2cccc(C3CCCc4cc(OC)ccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6023286
42111,COCCCN1CCN(Cc2cccc(CCN3C(=O)c4ccccc4S3(=O)=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.571664
42112,COCCCN1CCN(Cc2cccc(CNC(=O)N(C)Cc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.38405055
42113,COCCCN1CCN(Cc2cccc(CNC(=O)c3ccccn3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.44430092
42114,COCCOc1ccc(ON2CCC(c3cccc(OC)c3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4238346
42115,CON1CCN(CCNC(=O)c2ccc(-c3cccc(C)c3C)c(C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26063782
42116,COOc1ccc(OCCCN2CCC(c3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.7667088
42117,COOc1ccc(OCCN2CCC(Cc3ccc4ccccc4c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5787529
42118,COc1cc2c(cc1-c1ccc(C(F)(F)F)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73408747
42119,COc1cc2c(cc1N(C)C)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.86082256
42120,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(COC(=O)O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53492785
42121,COc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8026653
42122,COc1cc2c(cc1O)CCN1Cc3c(CCc4ccc(N(C)C)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.83011
42123,COc1cc2c(cc1OCc1ccc(C)cc1)CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.571123
42124,COc1ccc(OCCCF)cc1N1CCC(NC(=O)c2cccc(S(C)(=O)=O)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.17118451
42125,COc1ccc(OCCCN2CCc3ccc(OC(C)C)cc3C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.52068466
42126,COc1ccc(OCCN2CCC(Oc3ccc(C)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.47950807
42127,COc1ccc(OCCNC(=O)c2cccc(C3CCNCC3)c2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.12786706
42128,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCCC(COc2ccc3c(c2)NC(=O)CC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2763644
42129,COc1ccccc1Cc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2664363
42130,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cccc(F)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78270954
42131,CSSOc1ccc(OCCNCc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.29333958
42132,Cc1cc(OCCCS(=O)(=O)c2ccc(F)cc2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06273341
42133,Cc1cc(OCCNCc2ccsc2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16816773
42134,Cc1cc(OCCNc2cccc(OCC(F)(F)F)c2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07572186
42135,Cc1cc(OCCc2cc(C3CCCCC3)ccc2OC2CCNCC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.17939931
42136,ClC1CCN(CCN2CCN(c3ccccc3-c3ccnc(-c4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7738257
42137,Clc1cccc(CN2CCN(CCCc3ccccn3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.716901
42138,O=C(Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)OCc1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3810619
42139,O=C1c2ccccc2NC(c2cccc(CN3CCN(CCC[N+](=O)[O-])CC3)c2)N1c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48138198
42140,O=c1sc2ccccc2c(=O)n1Cc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4595107
42141,OCCCN1CCN(Cc2cccc(C3OCCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60435724
42142,Oc1cc2c(cc1-c1cccc(F)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72625035
42143,Oc1cc2c(cc1Cl)CCN1Cc3c(CC4CC4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75473356
42144,[O-]c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6440374
42145,CC(=O)Oc1ccc(OCCN2CCN(c3ccccc3OC(C)C)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.716271
42146,CCC(=O)Nc1cccc(-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.27288565
42147,CCCCOc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7750619
42148,CCCOc1ccc(OCCN2CCN(Cc3ccccc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6498464
42149,CCCOc1ccc(OCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7457845
42150,CCCOc1ccc(ON2CCC(Nc3ccc(F)cc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31480438
42151,CCCOc1ccc(ONS(C)(=O)=O)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08058075
42152,CCCOc1ccc(OOC)c(CNC(=O)c2ccn(CCCF)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06191538
42153,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Oc3ccc(C(C)=O)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16959326
42154,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(Cc3ccc(OC4CCC(=O)CC4)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21068665
42155,CCCOc1ccc(OS(C)(=O)=O)c(NCC2CCC(Oc3ccc(C(C)=O)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.059698083
42156,CCOc1ccccc1CNOc1ccc(OCCSC)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.09123406
42157,CCc1cccc2c1CN1CCc3cc(OC)c(Cc4ccccc4NC(=O)OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.274561
42158,COC1CCN(CCN2CCN(c3ccccc3-c3cccc(O)c3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7698412
42159,COC1CCN(CCN2CCN(c3ccccc3-n3cccnc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66051954
42160,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc(O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8629955
42161,COCCCN1CCN(Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.32410046
42162,COCCOc1ccc(OCCOc2ccccc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11850301
42163,COCCc1cc(OCCF)ccc1ONCC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.4346707
42164,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(F)cc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74452746
42165,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cccc(Br)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67927134
42166,COc1cc2c(cc1OC)C1Cc3cccc(OC(=O)c4ccc5[nH]ccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44458935
42167,COc1ccc(OCCCCOc2ccc3c(c2)NC(=O)CC3)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.29321903
42168,COc1ccc(OCCCN2CCC(Cc3ccccc3)CC2)cc1OS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.67466193
42169,COc1ccc(OCCN2CCC(Oc3ccc(F)cc3)CC2)cc1S(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.5418275
42170,COc1ccc(OCCN2CCCC(c3ccccc3)CC2)cc1CC(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.56343263
42171,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCC1CCc1ccc2c(c1)CC(=O)NC(C)C2,[*]CCOc1ccc(O[*])c([*])c1,0.2995948
42172,COc1ccc(OCCOCCc2ccccc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.1593071
42173,COc1ccc2c(c1)C1CCCC(CC2)N(c2cc(OCCS(C)(=O)=O)ccc2OC)C1,[*]CCOc1ccc(O[*])c([*])c1,0.37360922
42174,COc1cccc(COc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6979731
42175,COc1cccc2c1CN1CCc3cc(SC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7036875
42176,COc1ccccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3855766
42177,COc1ccccc1CNCc1cc2c(cc1OC)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44654596
42178,COc1ccccc1N1CCN(CCN2CCC(c3ccc4ncc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69922227
42179,Cc1cc(OCCCNS(=O)(=O)c2cc(C(C)C)ccc2F)ccc1ON1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.12923944
42180,Cc1cc(OCCN2CCC(Cc3ccccc3)CC2)ccc1ONS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.60162926
42181,Cc1cc(OCCN2CCC(c3ccc(F)cc3)CC2)ccc1OOS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.71634233
42182,Cc1cc(OCCN2CCN(CCc3ccc(F)cc3)C2=O)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.23312823
42183,Cc1cc(OCCN2CCN(Cc3cccc4ccccc34)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.35763168
42184,Cc1cc(OCCNC(=O)COc2ccc3c(c2)NC(=O)CC3)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.05226543
42185,Cc1cccc(CN2CCN(CCCC3Oc4ccccc4NC3(C)C)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56974685
42186,Clc1cccc(CN2CCN(CCCCc3coc(-c4ccccc4)n3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.71358335
42187,NCCOc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.81190133
42188,O=S(=O)(Nc1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1)c1cccc(F)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.42869514
42189,O=c1ccc(Br)cn1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.664658
42190,c1ccc(CCCN2CCN(Cc3cccc(Cc4ccc5ccccc5c4)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6827543
42191,C=CCN1CCCC1C(=O)Nc1cc(OCCCF)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.13775964
42192,CC=S(O)(O)=Nc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78437907
42193,CCCCN1CCC(c2cc(OCCC)ccc2OOC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6208489
42194,CCCOc1ccc(OF)c(N2CCCC(COc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38533098
42195,CCCOc1ccc(ON2CCN(c3ccc(F)cc3)CC2)c(N=S(C)(=O)O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20132391
42196,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCCC(CCc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2821746
42197,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCCC(CCc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.319404
42198,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)COc2ccc(CF)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.006868264
42199,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)COc2ccccc2N2CCNCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15564375
42200,CCOC(=O)N(Cc1ccccc1)Cc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.401116
42201,CCOC1CCN(CCN2CCN(c3ccccc3-c3cccc(O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7271089
42202,CCONCc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7214372
42203,CCOc1ccccc1N1CCCN(Cc2cc(OCCF)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8061124
42204,CCOc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7899946
42205,CNc1cc2c(cc1OC)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63356394
42206,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3cccc(Cl)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7934452
42207,COC1CCN(CCN2CCN(c3ccccc3Oc3cnc4ccc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7371559
42208,COCCCN1CCN(Cc2cccc(C3Oc4ccccc4NC3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.43202204
42209,CON1CCN(CCNC(=O)c2ccc(-c3ccccc3Cl)c([N+](=O)[O-])c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.358018
42210,COc1cc(C(=O)NCCN2CCN(O)CC2)ccc1C(C)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.25767636
42211,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccc(OC)c2ccccc12,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31752515
42212,COc1cc2c(cc1O)C1Cc3cccc(OCCc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73391265
42213,COc1cc2c(cc1O)CCN1Cc3c(cccc3Oc3cccc(F)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79100966
42214,COc1cc2c(cc1OC)C1Cc3cccc(OCc4ccc(CNC(C)=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45120907
42215,COc1ccc(OCCC=O)cc1N1CCC(Cc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.40121695
42216,COc1ccc(OCCN2CCC(NS(=O)(=O)c3cccc(Cl)c3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.7298607
42217,COc1ccc(OCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.42362073
42218,COc1ccc(OCCNS(C)(=O)=O)cc1C(C)COc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.08447053
42219,COc1ccc(OCCS(C)(=O)=O)cc1NC(=O)Cc1ccc(C2CCN(C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.18194348
42220,COc1ccc(OCCSCCc2ccc(F)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.08426013
42221,COc1ccc2cnc(Cc3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)cc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68281555
42222,COc1cccc(CNCCOc2ccc(OSC)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16812257
42223,COc1cccc2c1CN1CCc3cc(C)c(Oc4cccc(CO)c4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5691499
42224,COc1ccccc1CN1CCN(CCOc2ccc(OSO)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5191602
42225,COc1ccccc1N1CCN(CCNC(=O)c2ccc(S(C)(=O)=O)c(F)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.8182596
42226,Cc1cc(OCCN2CCC(Cc3ccc4occc4c3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.51837635
42227,Cc1cc(OCCNC(=O)COc2ccc3c(c2)CCCC3)ccc1ON1CCOCS1,[*]CCOc1ccc(O[*])c([*])c1,0.0641373
42228,Cc1cc(OCCNC(=O)COc2ccccc2)ccc1ON1CCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.03833617
42229,Cc1cc(OCCNCCC2Cc3ccccc3CC2=O)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2409399
42230,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)OCc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.62958145
42231,FC(F)(F)c1cccc(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6879033
42232,FCCCN1CCN(Cc2cccc(Oc3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6940666
42233,O=C(O)c1cc2c(cc1-c1cccc(Cl)c1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.536513
42234,O=C1c2ccccc2-c2c1cccc2-c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4840493
42235,O=COc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7166834
42236,O=[N+]([O-])c1cccc(CN2CCN(CCCc3cc4cccc(CO)c4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4148609
42237,OC1(c2cccc(CN3CCN(CCCCl)CC3)c2)CCCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6831158
42238,OCN=Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6930136
42239,CCCCN1CCN(c2cc(OCCC)ccc2OCl)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.74173635
42240,CCCOc1ccc(OC(=O)COc2ccc(F)cc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04227478
42241,CCCOc1ccc(OC)c(C(=O)Nc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08103093
42242,CCCOc1ccc(OC=O)c(CCNC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.026357329
42243,CCCOc1ccc(OCl)c(NC(=O)COc2ccccc2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0049975235
42244,CCCOc1ccc(ON2CCC(C(=O)c3ccccc3)CC2)c(N=S(C)(=O)O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14780115
42245,CCCOc1ccc(ON2CCN(c3ccc(C)cc3)CC2)c(OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16159078
42246,CCCOc1ccc(OOC)c(CN2CCCN(c3ccccc3Cl)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7893657
42247,CCCOc1ccc(OS(C)(=O)=O)c(CCCNC2CCc3cc(OC)c(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5623162
42248,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(CCc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37030888
42249,CCCOc1ccc(OSC)c(N2CCCC(Cc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34288782
42250,CCOc1ccccc1C1CCCN(CCOc2ccc(OC)c(OC)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.6059014
42251,CCc1cc2c(cc1O)C1Cc3cccc(-c4ccccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60072696
42252,CNc1cccc2c1CN1CCc3cc(-c4ccccc4)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4894844
42253,COC1CCN(CCN2CCN(c3ccccc3-c3cscn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7952922
42254,COCCCN1CCN(Cc2cccc(-c3ccccc3NC(=O)Nc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.22546427
42255,COCCCN1CCN(Cc2cccc(C(=O)N3c4ccccc4CC3C(=O)OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6663968
42256,COCCOc1ccc(ONC(=O)c2ccccc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.029716756
42257,COc1cc2c(cc1-c1c(OC)cccc1OC)CCN1Cc3c(Cc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7253217
42258,COc1cc2c(cc1-c1cccs1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76406425
42259,COc1cc2c(cc1C1=CC(CC#N)=CC=CO1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6080901
42260,COc1cc2c(cc1Cc1ccccc1Cl)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74769264
42261,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc5ccccc5c4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7333571
42262,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(C(C)O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.632126
42263,COc1ccc(CNCCOc2ccc(OC)c(NS(C)(=O)=O)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.20221004
42264,COc1ccc(CNc2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4692989
42265,COc1ccc(OCCCC(=O)S(=O)(=O)c2ccc(F)c(F)c2)cc1N1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.17951812
42266,COc1ccc(OCCN2CCC(F)CC2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5590306
42267,COc1ccc(OCCN2CCC(NC(=O)c3ccccc3F)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.45941234
42268,COc1ccc(OCCN2CCC(Oc3ccc(CC4CCCCC4)cc3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5211959
42269,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(Cc2ccc(F)cc2)CS1(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.29788584
42270,COc1ccc(OCCNS(C)(=O)=O)cc1NCCC1C(=O)CCc2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.19099449
42271,COc1ccc2c(NC(=O)c3cc4c(cc3OC)C3Cc5cccc(O)c5CN3CC4)cccc2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32477677
42272,COc1cccc(CN2CCN(CCCC3CCCCC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6715907
42273,COc1cccc(CNC(=O)c2cccc3c2CN2CCc4cc(OCc5ccccc5)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38161498
42274,COc1ccccc1N1CCN(CCN2CCC(n3cc(Br)cnc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85344493
42275,COc1ccccc1N1CCN(CCOc2ccc(OS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7742109
42276,Cc1cc(OCCC(F)CCc2ccccc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.044693243
42277,Cc1cc(OCCCCCCc2ccc3c(c2)NC(=O)CC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.16255441
42278,Cc1cc(OCCCN2CCC(c3ccccn3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.78714854
42279,Cc1cc(OCCN2CCC(c3ccccc3OC3CCCC3)C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.4372976
42280,Cc1cc(OCCN2CCCC(Cc3ccc(F)cc3)C2)ccc1OOS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.41285062
42281,Cc1cc(OCCN2CCN(Cc3ccccc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.44765136
42282,NC(=O)Oc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48598203
42283,O=[N+]([O-])CCCN1CCN(Cc2cccc(NC3CCCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4750659
42284,O=c1c2ccccc2ccn1CCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6489657
42285,[O-]C1CCN(CCN2CCN(c3ccccc3-n3c(O)nc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75248533
42286,CC(C)c1ccccc1N1CCN(CCN2CCC(c3cccc(-c4ccncc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71253383
42287,CCCOc1ccc(OCl)c(Oc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14282684
42288,CCCOc1ccc(ON(C)C)c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2570149
42289,CCCOc1ccc(ON2CC=C(c3ccccc3OC)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.47197166
42290,CCCOc1ccc(ON2CCCC(OC)=S(C)(=O)C2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2390281
42291,CCCOc1ccc(OOC)c(NCCc2ccccn2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06601671
42292,CCCOc1ccc(OSC)c(NC(=O)COc2cccc(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0067970017
42293,CCOC(=O)c1cccc2c1CN1CCc3cc(C)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4469696
42294,CCOCCCN1CCN(Cc2cccc(CNC(=O)C3c4ccccc4-c4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4045929
42295,CCOc1ccccc1CN1CCN(CCOc2ccc(OC)c(OC)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.61051375
42296,COC(=O)N1CCN(CCNC(=O)c2ccc(Cl)c(-c3ccccc3OC)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.15955712
42297,COC1CCN(CCN2CCN(c3ccccc3-c3ncc(-c4ccc(F)cc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.815605
42298,COCCCN1CCN(Cc2cccc(CC(=O)N3CCCC3c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5270104
42299,COCCCN1CCN(Cc2cccc(N3c4ccccc4C(=O)N(c4ccccc4)C3C=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.50808483
42300,COc1cc(C(=O)NCCN2CCN(C)CC2)ccc1-c1cccc(Cl)c1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29496476
42301,COc1cc2c(cc1C)CCN1Cc3c(cccc3OC(C)(C)C)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7265271
42302,COc1cc2c(cc1Cc1cccs1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7401952
42303,COc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8406983
42304,COc1cc2c(cc1O)C1Cc3cccc(C(=O)c4ccc5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57093155
42305,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(CNC(C)=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47571436
42306,COc1cc2c(cc1O)C1Cc3cccc(Oc4ccccc4C(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7636405
42307,COc1ccc(COc2ccc(-c3cccc4c3CN3CCc5cc(OC)c(O)cc5C3C4)cc2)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6347749
42308,COc1ccc(OCCC(C)=O)cc1CS(=O)(=O)c1ccc(F)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.019584926
42309,COc1ccc(OCCCNC(=O)c2ccc(F)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.04360476
42310,COc1ccc(OCCN(C)C)cc1CN1CCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8114526
42311,COc1ccc(OCCNCc2ccccc2)cc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.37327972
42312,COc1cccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2NC(C)=O)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.17881273
42313,COc1cccc(-c2cccc3c2CN2CCc4cc(OCc5ccccc5)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5350586
42314,COc1cccc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8421878
42315,COc1cccc(CN2CCN(CCCn3cccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6008818
42316,COc1cccc(COc2cc3c(cc2OC)CCN2Cc4c(F)cccc4CC32)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67760277
42317,COc1cccc2c1CN1CCc3cc(C(C)O)c(Oc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61857355
42318,COc1ccccc1CN1CCN(CCOc2ccc(ONS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.40862474
42319,Cc1cc(OCCCCCc2ccc3c(c2)N(C)C(=O)CC3)ccc1OOS,[*]CCOc1ccc(O[*])c([*])c1,0.21815959
42320,Cc1cc(OCCCNS(=O)(=O)c2cc(C(C)C)ccc2F)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.069827676
42321,Cc1cc(OCCN=S(C)(=O)O)ccc1OCS(=O)(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.06030054
42322,Cc1cc(OCC[SH](C)(=O)O)ccc1ON1CCC(CCc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2231993
42323,Cc1cc2c(cc1OCc1ccc3[nH]ccc3c1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6447181
42324,Cc1ccc(OCC(F)CCOc2ccc(ON=S(C)(=O)O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.03612236
42325,Cc1cccc(CN2CCN(CCC[SH]3(=O)NC(=O)c4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4942161
42326,Cc1ccccc1N1CCN(CCN2CCC(c3cnc(Br)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6815384
42327,Clc1cccc(CN2CCN(CCCCc3ccccn3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7694605
42328,FCCCN1CCN(Cc2cccc(-c3cccc(-c4ccccc4)n3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.71138865
42329,O=C1C=C(CCCN2CCN(Cc3cccc(Cl)c3)CC2)CC1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63422674
42330,O=CCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63306105
42331,OCc1ccc2cccc(-c3cccc4c3CN3CCc5cc(O)c(O)cc5C3C4)c2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65010387
42332,Oc1nc2ccc(F)cc2n1C1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7848448
42333,CC1CCN(CCN2CCN(c3ccccc3C(C)O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6478696
42334,CCCCc1cc(OCCc2ccc(F)cc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10373557
42335,CCCOc1ccc(OC)c(N2CCC(O)(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32990205
42336,CCCOc1ccc(OC)c([SH](=O)=CN(C)CNC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.021802131
42337,CCCOc1ccc(OF)c(CN2CCN(CC(=O)OC(C)C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28081712
42338,CCCOc1ccc(ON2CCC(c3ccccc3F)CC2)c(OC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.166245
42339,CCCOc1ccc(ON2CCCC(CCc3ccccc3OC)C2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32865095
42340,CCCOc1ccc(ONC(=O)COc2ccccc2)c(CN(C)CC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06079619
42341,CCCOc1ccc(OS(C)(=O)=O)c(NCC2CCc3cc(OC)c(OCC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39489427
42342,CCCOc1ccc(OSC)c(Cn2cccc2OCC=Cc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22663091
42343,CCOc1cc2c(cc1C(=O)NCc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42550033
42344,CCc1cccc2c1CN1CCc3cc(OC)c(CO)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68061846
42345,CCc1ccccc1C(=O)C1CCN(CCOc2ccc(OC)c(S(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.507846
42346,CN=COc1ccc(OCCNCc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.29031324
42347,COC1CCN(CCN2CCN(c3ccccc3-c3cccc(O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8049327
42348,COC1CCN(CCN2CCN(c3ccccc3-n3ccc(F)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7711322
42349,COCCOc1ccc(OCCOc2cccc(F)c2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10210855
42350,COc1cc2c(cc1-c1ccccc1C)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7313835
42351,COc1cc2c(cc1CO)C1Cc3cccc(Cc4ccc(N(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61278945
42352,COc1cc2c(cc1OC)C1Cc3cccc(COCc4ccc(Oc5ccccc5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73447657
42353,COc1ccc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7328674
42354,COc1ccc(OCCC(N)=O)cc1COc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.04139342
42355,COc1ccc(OCCN2CCC(NS(=O)(=O)c3cccc(C(C)C)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.63705707
42356,COc1ccc(OCCN2CCC(c3cccc(NS(C)(=O)=O)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6127512
42357,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1N1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2508225
42358,COc1ccc(OCCNS(C)(=O)=O)cc1NCCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.11418442
42359,COc1ccc(OCCS(C)(=O)=O)cc1CN1CCC(Oc2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.42397705
42360,COc1cccc(N2CCN(CCCN3CCN(Cc4cccc(Cl)c4)CC3)C2=O)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57972884
42361,COc1ccccc1-c1cc(C(=O)NCCN2CCN(C)CC2)ccc1S(N)(=O)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29953584
42362,COc1ccccc1N1CCN(CCN2CCC(NC(=O)N(C)Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74066436
42363,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cc4cc(O)ccc4[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8775707
42364,COc1ccccc1N1CCN(CCN2CCC(c3ccc(C)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8138573
42365,COc1ccccc1N1CCN(CCc2cc(OCCCc3ccccc3)ccc2ON)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.70358527
42366,COc1ccccc1NC(=O)c1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.2572363
42367,COc1ccccc1NCC1CCN(CCN2CCN(c3ccccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.57925534
42368,CSOc1ccc(OCCCN2CCC(c3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.7632762
42369,CSOc1ccc(OCCN2CCCC(Oc3ccccc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.50296104
42370,Cc1cc(OCCCCOc2ccccn2)ccc1ON1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.38186622
42371,Cc1cc(OCCNCc2cc(C=O)co2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.07633798
42372,Cc1cc2c(cc1O)C1Cc3cccc(C(=O)OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41580856
42373,Cc1ccc(C(=O)NC2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64620185
42374,Cc1ccc(CC(=O)NCCOc2ccc(ON3CCCCC3)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.031486213
42375,ClC1CCN(CCN2CCN(c3ccccc3-c3ccc(OC4CCCC4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6939157
42376,ClCCCN1CCN(Cc2cccc(CN3CC3c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6764984
42377,N#Cc1cccc(NC(=O)Oc2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.37923574
42378,O=C(NCCCCCN1CCN(Cc2cccc(Cl)c2)CC1)C1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58393013
42379,O=S(=O)(Cc1cccc(CN2CCN(CCCF)CC2)c1)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6005893
42380,O=c1c2ccccc2ncn1C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8287658
42381,Oc1cc2c(cc1O)C1Cc3cccc(COCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7932175
42382,CCCCN1CCN(Cc2cccc(CN3C(=O)C(=O)c4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48579976
42383,CCCOc1ccc(OF)c(CN2CCN(CC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3512854
42384,CCCOc1ccc(ONCc2ccccc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11414778
42385,CCCOc1ccc(ONS(C)(=O)=O)c(C2CCCC(COc3ccc4c(c3)NC(=O)CC4)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34568793
42386,CCCOc1ccc(OS(C)(=O)=O)c(CCN(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15421073
42387,CCCOc1ccc(OS(C)(=O)=O)c(CCOc2ccccc2C2CCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24962847
42388,CCCOc1ccc(OS(C)(=O)=O)c(N2CCN(CC(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34768504
42389,CCCOc1ccc(OS(N)(=O)=O)c(NCC2CCc3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37026078
42390,CCCSc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6603253
42391,CCOc1cc2c(cc1OC)C1Cc3cccc(Oc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6566392
42392,COC1CCN(CCN2CCN(c3ccccc3C(=O)CCc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66743165
42393,COC1CCN(CCN2CCN(c3ccccc3C3CCc4ccc5ccc(O)nc5c4O3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.61537397
42394,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74121743
42395,COCCOc1ccc(OC)c(C(=O)COc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0740825
42396,COCCOc1ccc(OC)c(CCNC(=O)c2ccccc2F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.030580508
42397,COOc1ccc(OCCCN2CCN(c3ccc(F)c(OC)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.680999
42398,COc1cc(-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)ccc1C,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6395277
42399,COc1cc2c(cc1Cl)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6890187
42400,COc1cc2c(cc1O)C1Cc3cccc(-c4cc(C#N)ccc4Oc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63576436
42401,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccc(OC(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72011125
42402,COc1cc2c(cc1O)CCN1Cc3c(CNCc4ccc(C#N)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6146897
42403,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7026005
42404,COc1ccc(C(=O)NCCN2CCN(c3ccccc3Cl)CC2)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.7761353
42405,COc1ccc(NC(=O)c2cc(OCCC(C)Cc3ccccc3)ccc2OC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.018296013
42406,COc1ccc(OCCCCNC(=O)c2ccc(N3CCCSC3)cc2)cc1S(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.10966066
42407,COc1ccc(OCCCN(C)S(C)=O)cc1NC(=O)Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.009580509
42408,COc1ccc(OCCF)cc1N1CCN(CS(=O)c2ccccc2C(C)C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5605743
42409,COc1ccc(OCCNS(=O)(=O)c2ccccc2C(C)C)cc1C(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.07022431
42410,COc1ccc(OCCS(C)(=O)=O)cc1CCCc1ccc2c(c1)CCC(=O)C2,[*]CCOc1ccc(O[*])c([*])c1,0.20794593
42411,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(Cc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3174103
42412,COc1cccc(CN2CCN(CCCC3CC(=O)c4ccccc4C3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62259555
42413,COc1cccc(CN2CCN(CCCC3CCCc4ccccc4C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7031127
42414,COc1cccc(CN2CCN(CCCNC(=O)c3cc4ccccc4cc3C)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.34509695
42415,COc1cccc2c1CN1CCc3cc(-c4ccc(O)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.769025
42416,COc1ccccc1N1CCN(CCN2CCC(CNc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78632647
42417,Cc1cc(OCCCl)ccc1ON1CCN(c2ccccc2OCC(C)C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4557335
42418,Cc1cc(OCCF)ccc1OCS(=O)(=O)Cc1cccc(C2CCNCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25733116
42419,Cc1cc(OCCNCc2ccccc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.25991857
42420,Cc1cc(OCCNc2ccccc2OCC(C)C)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.033942703
42421,Cc1cc2c(cc1C=NO)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59882027
42422,Cc1ccccc1N1CCN(CCN2CCC(n3ccc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6326134
42423,Clc1ccccc1N1CCN(CCN2CCC(c3ccco3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.735658
42424,Fc1cccc(CN2CCN(CCCCn3ccc(C=Cc4ccccc4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6414776
42425,Fc1cnc(C2CCN(CCN3CCN(c4ccccc4F)CC3)CC2)nc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7423194
42426,O=C(NCC1CCN(CCN2CCN(c3ccccc3OC(F)(F)F)CC2)CC1)c1ccccc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.805151
42427,O=C(Nc1cccc(CN2CCN(CCCCl)CC2)c1)C1CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3999398
42428,O=C(OCc1cccs1)c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5656302
42429,Oc1cc2c(cc1-c1ccc3[nH]ccc3c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6843965
42430,CC1CCN(CCN2CCN(c3ccccc3-c3nccc(-c4ccc(F)cc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7242904
42431,CCCOc1ccc(OC)c(C(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5048239
42432,CCCOc1ccc(OCCOc2ccc(F)cc2)c(NC(=O)CCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.015233757
42433,CCCOc1ccc(OCN2CCC(NS(=O)(=O)c3ccc(F)cc3)C2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5174755
42434,CCCOc1ccc(OF)c(CN2CCN(c3ccc(OC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.700849
42435,CCCOc1ccc(ON2CCCN(c3ccc(OC)cc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2712941
42436,CCCOc1ccc(ON2CCN(C(C)=O)CSC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.077690214
42437,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(Oc3ccccc3CC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28542355
42438,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCCC(c3ccc(Cl)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29044
42439,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCN(c3ccccc3OCC(F)(F)F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34202105
42440,CCCOc1ccc(OOC)c(CCOc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28155965
42441,CCCOc1ccc(OOC)c(NCCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12209532
42442,CCCOc1ccc(OS(C)(=O)=O)c(OC2CCC(Nc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14078231
42443,COC1CCN(CCN2CCN(c3ccccc3-c3ccc4cccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7815246
42444,COc1cc(C(=O)NCCN2CCN([O-])CC2)ccc1-c1ccccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2694705
42445,COc1cc2c(cc1-c1ccc(CN)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7527456
42446,COc1cc2c(cc1-c1ccnc(CO)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62380445
42447,COc1cc2c(cc1O)CCN1Cc3c(CNC(=O)OCc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49139008
42448,COc1cc2c(cc1OC(=O)Nc1ccccc1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.2808196
42449,COc1cc2c(cc1OC)C1Cc3cccc(Cc4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6131082
42450,COc1cc2c(cc1OC)C1Cc3cccc(NC(C)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3070915
42451,COc1ccc(-c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74063325
42452,COc1ccc(OCCCN2CCC(c3cccc(SC)c3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.7859106
42453,COc1ccc(OCCCNS(C)(=O)=O)cc1C1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.14119741
42454,COc1ccc(OCCF)cc1CN1CCN(C(=O)c2ccc(S(C)(=O)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.04213704
42455,COc1ccc(OCCNCC=Cc2ccccc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.13655178
42456,COc1ccc(OCCS(C)(=O)=O)cc1NC(=O)COc1ccccc1F,[*]CCOc1ccc(O[*])c([*])c1,0.013212628
42457,COc1ccc(OCCSC)cc1N1CCC(c2ccccc2C(C)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.13598189
42458,COc1ccc(OCCc2cccc(OCC(F)(F)F)c2)cc1C(=O)NCC1CCCNC1,[*]CCOc1ccc(O[*])c([*])c1,0.07630934
42459,COc1ccc2c(c1)CC(CNCc1cc(OCCF)ccc1OC)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.5204489
42460,COc1cccc(CN2CCN(CCCCN3CC(C)Cc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.73807824
42461,COc1ccccc1CNC(=O)c1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6927336
42462,Cc1cc(OCCCNc2ccccc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10293698
42463,Cc1cc(OCCN2CCC(Cc3cccc(N)c3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.67527896
42464,Cc1cc(OCCNCCc2ccc3c(c2)CCC(=O)N3)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.15711874
42465,Cc1cc(OCCNCc2ccc(S(C)(=O)=O)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.118718036
42466,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCCC(CCc2cccs2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.22119835
42467,Cc1ccc(NC2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)nc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65381855
42468,Cc1cccc(CN2CCN(CCCN3CC(C)(C)Cc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69927245
42469,Cc1ccccc1N1CCN(CCN2CCC(COc3cccc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6577564
42470,ClCCCN1CCN(Cc2cccc(-c3cccc4c3Cc3ccccc3C4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6722304
42471,FC(F)(F)c1ccc(OC2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7565922
42472,FCCOc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccc(F)cc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80266684
42473,NC(=O)c1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48202124
42474,O=C(Oc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2)C1CC1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44368047
42475,OCCCN1CCN(Cc2cccc(-c3cccc(-c4ccccc4)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6980956
42476,OCc1ccn(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81559646
42477,Oc1ccc2ccc(OCc3ccccc3N3CCN(CCN4CCC(O)CC4)CC3)cc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6645043
42478,CC1CCN(CCN2CCN(c3ccccc3-c3nc(O)nc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.63929373
42479,CCCOc1ccc(OC(=O)COc2ccccc2C)c(NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.02326995
42480,CCCOc1ccc(OC(=O)COc2ccccc2F)c(OCCNC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.054235347
42481,CCCOc1ccc(OCF)c(C2CCN(CCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6448886
42482,CCCOc1ccc(OCN2CCCN(c3ccc(F)c(C)c3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.44261885
42483,CCCOc1ccc(OOC)c(N2CCC=C3C=CC(Cl)=CN3CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3344878
42484,CCCOc1ccc(OS(N)(=O)=O)c(Cc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13084212
42485,CCOC(=O)Oc1ccc(OCCNCc2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.05900369
42486,CCOc1cc2c(cc1O)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63087857
42487,CCOc1ccccc1C1CCN(CCOc2ccc(OC)c(S(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6302273
42488,COC1CCN(CCN2CCN(c3ccccc3Cc3ccc(O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76368976
42489,COCCCN1CCN(Cc2cccc(CN3c4ccccc4CS3(=O)=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66142386
42490,COCCOc1ccc(OC)c(CNCC2CCc3ccc(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.46607566
42491,CON1CCN(CCNC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])c(OS(C)(=O)=O)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3027551
42492,CON1CCN(CCNC(=O)c2ccc(C)c(-c3cccc4nc(O)oc34)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2202122
42493,CON1CCN(CCNC(=O)c2ccc(O)c(-c3ccccc3C#N)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.43145993
42494,CON1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(-c3ccccc3C(C)=O)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3370795
42495,COc1cc2c(cc1-c1c(CO)cccc1OC)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8312318
42496,COc1cc2c(cc1CCO)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70180404
42497,COc1cc2c(cc1O)CCN1Cc3c(CNC(=O)Cc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.286237
42498,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCC(F)(F)F)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7838338
42499,COc1ccc(OCCC(=O)c2cccs2)cc1NS(=O)(=O)Cc1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.030790282
42500,COc1ccc(OCCCN2CCC(c3ccccc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.80739605
42501,COc1ccc(OCCN2CCC(COc3ccc(F)cc3)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.6280687
42502,COc1ccc(OCCN2CCC(Cc3ccc(F)cc3)C2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.4671168
42503,COc1ccc(OCCN2CCC(NC(=O)c3cccc(C(F)(F)F)c3)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.50939626
42504,COc1ccc(OCCNC(=O)Cc2ccc3c(c2)CCCC3)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.046594627
42505,COc1ccc(OCCNS(=O)(=O)c2ccccc2C(C)C)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.078006804
42506,COc1ccc(OCCS(C)(=O)=O)cc1NC(=O)CCC1CCC1Cc1ccc(OC2CCCCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.024948196
42507,COc1ccc(OCCS(N)(=O)=O)cc1CF,[*]CCOc1ccc(O[*])c([*])c1,0.06912705
42508,COc1cccc(COc2ccc(OCCSCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.651155
42509,COc1cccc2c1CN1CCc3cc(-c4cccc(ON)c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5829293
42510,COc1cccc2c1CN1CCc3cc(Cc4ccc(N5CCOCC5)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47449404
42511,C[N+]c1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7538413
42512,Cc1cc(OCCC2CCN(Cc3ccccc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.54824704
42513,Cc1cc(OCCF)ccc1ONC(=O)c1ccc(OCC2CCCNC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.076222405
42514,Cc1cc(OCCN2CCCC(Cc3ccc(F)cc3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4237274
42515,Cc1cc(OCCN=S(C)(=O)O)ccc1OCCOc1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06863102
42516,Cc1cc(OCCNS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.032654516
42517,Clc1ccc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)nc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7882003
42518,Fc1cccc(CN2CCN(CCCc3cc(-c4ccccc4)co3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5818408
42519,Fc1ccccc1N1CCN(CCN2CCC(Oc3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7202535
42520,Oc1cc2c(cc1O)C1Cc3cccc(CCNOCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62663764
42521,Oc1cccc(-c2ccc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)cc2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7756211
42522,Oc1cccc(CN2CCN(CCCc3cccc4ccccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6843146
42523,Oc1ccccc1N1CCN(CCN2CCC(c3cc4ccccc4o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7200236
42524,C#Cc1ccccc1-c1ccc(C(=O)NCCN2CCN(OC)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3448504
42525,C=S(=O)(O)CCOc1ccc(OC)c(NCCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07851446
42526,CC(=O)Nc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4060458
42527,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3cccc(N4CCCS4(=O)=O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7209383
42528,CCCNC(=O)Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43165937
42529,CCCNCCOc1ccc(OC)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7923887
42530,CCCOc1ccc(OC(C)=O)c(N2CCC(c3cccc(NC(C)=O)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18943192
42531,CCCOc1ccc(OC)c(CN2CCN(C(=O)c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09649646
42532,CCCOc1ccc(OOCC)c(CCNC(=O)c2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.029975854
42533,CCCOc1ccc(OOS(C)(=O)=O)c(NCC2CCc3ccc(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40714747
42534,CCCOc1ccc(OS(=O)(=O)OCC)c(N2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30885336
42535,CCCOc1ccc(OS(N)(=O)=O)c(CCN2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.67348945
42536,CCCOc1ccc(O[SH](C)(N)=O)c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24754392
42537,CCONCc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6833157
42538,CCOc1cccc(C2CCN(CCOc3ccc(OC)c(OC)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.79025185
42539,CCOc1ccccc1-c1cc(OCCc2ccc(F)cc2)ccc1OOC,[*]CCOc1ccc(O[*])c([*])c1,0.12995428
42540,CCOc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccco3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73816603
42541,COC(=O)c1cc2c(cc1O)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50026625
42542,COC(=O)c1cccc(CN2CCN(CCCCc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5105543
42543,COOc1ccc(OCCNC(=O)Cc2ccc3c(c2)CCCC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.027135994
42544,COc1cc2c(cc1-c1ccc(OC#N)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77549917
42545,COc1cc2c(cc1-c1cccc3cc[nH]c13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77524203
42546,COc1cc2c(cc1C)C1Cc3cccc(C=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67562014
42547,COc1cc2c(cc1C=Nc1cccc3ccccc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62261134
42548,COc1cc2c(cc1Cl)CCN1Cc3c(COc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6963316
42549,COc1ccc(CS(=O)(=O)c2cc(OCCc3ccc(SC)cc3)ccc2OC)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.117444254
42550,COc1ccc(OCCF)cc1CN1CCN(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8368189
42551,COc1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.585615
42552,COc1ccc(OCCNCC(C)=O)cc1N1CCC(CSc2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1559356
42553,COc1ccc(OCCNS(=O)(=O)c2cccc(F)c2)cc1N1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.46530417
42554,COc1ccc(OCCS(C)(=O)=O)cc1NCCc1cccs1,[*]CCOc1ccc(O[*])c([*])c1,0.08985984
42555,COc1ccc(OCCS(C)(=O)=O)cc1NS(=O)(=O)Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.0716978
42556,COc1ccc(OCCSC)cc1N1CCN(c2cccc(C(F)(F)F)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.37794963
42557,COc1cccc(C(C)c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7237788
42558,COc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccco4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.865629
42559,CSc1ccc(OC2CCN(CCOc3ccc(OC(N)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.45436105
42560,Cc1cc(OCCCc2ccccc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.08434112
42561,Cc1cc(OCCCl)ccc1OCNC(=O)c1ccc(CCO)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.0388074
42562,Cc1cc(OCCN=S(C)(=O)O)ccc1OC(O)CCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.11538182
42563,Cc1cc(OCCNCC=Cc2ccccc2)ccc1ON=S(=O)(O)O,[*]CCOc1ccc(O[*])c([*])c1,0.11037036
42564,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCC(c2ccccc2OC2CCCC2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.33711284
42565,Cc1cc2c(cc1-c1cccc(CO)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5830975
42566,Cc1cccc(-c2cccc3c2CN2CCc4cc(Cc5ccccc5)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59204376
42567,Cc1cccc2c1CN1CCc3cc(OC(F)(F)F)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69129944
42568,Cc1ccccc1N1CCN(CCN2CCC(C(=O)NCc3cccc(F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64255905
42569,FCCCN1CCN(Cc2cccc(COc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6482263
42570,Oc1cccc(-c2cccc(CN3CCN(CCCCl)CC3)c2)n1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.694598
42571,CCCOc1ccc(OCCc2ccc(F)cc2)c(CN=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.070426434
42572,CCCOc1ccc(OCN)c(N2CCN(c3cc(F)ccc3F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3725885
42573,CCCOc1ccc(ON)c(N2CCC(c3ccc(C(C)=O)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16231169
42574,CCCOc1ccc(OS(C)(=O)=O)c(COCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11491413
42575,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(CCc3ccc4c(c3)CC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29213205
42576,CCCOc1ccc(OSC)c(N2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35681415
42577,CCc1ccccc1S(=O)(=O)C1CCN(CCOc2ccc(OC)c(S(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6416975
42578,CNOc1ccc(OCCN2CCC(Cc3ccc(F)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.43108124
42579,COCCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5877611
42580,CON1CCN(CCNC(=O)c2ccc(C(=O)O)c(-c3ccccc3[N+](=O)[O-])c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.34510016
42581,COOc1ccc(OCCCNCc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.29079792
42582,COOc1ccc(OCCF)cc1CCNc1ccc(F)cn1,[*]CCOc1ccc(O[*])c([*])c1,0.06908646
42583,COOc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.014495055
42584,COc1cc(C(=O)NCCN2CCN(C(C)=O)CC2)ccc1-c1cccc(Cl)c1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.1492919
42585,COc1cc2c(cc1C(=O)NCc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43772918
42586,COc1cc2c(cc1OC)C1Cc3cccc(COc4cccc5c(OC)cccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70749015
42587,COc1cc2c(cc1OC)C1Cc3cccc(OCc4ccc5c(c4)NC(=O)CC5)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6458405
42588,COc1ccc(CNCOc2ccc(OCCN=S(C)(=O)O)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.053697
42589,COc1ccc(Cc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74381435
42590,COc1ccc(OCCC(F)CCc2ccc(F)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09354969
42591,COc1ccc(OCCCN2CCC(Oc3ccc(C4CCCCC4)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6254973
42592,COc1ccc(OCCCN=S(C)(=O)O)cc1N1CC(c2ccccc2)CC2CCCC21,[*]CCOc1ccc(O[*])c([*])c1,0.14353478
42593,COc1ccc(OCCCc2ccsc2)cc1CS(=O)(=O)c1ccc(C(N)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.037931725
42594,COc1ccc(OCCN2CCC(O)(C(=O)c3ccc(F)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.40641117
42595,COc1ccc(OCCN=S(C)(=O)O)cc1CC1CC(=O)Nc2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.08980256
42596,COc1ccc(OCCS(C)(=O)=O)cc1CN1C=C(C2C=CC=CC2=O)CCC1,[*]CCOc1ccc(O[*])c([*])c1,0.18328157
42597,COc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3ccc4cccc(OC)c4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8346934
42598,COc1ccccc1N1CCN(CCN2CCC(c3cccc(-c4ccc(Br)cc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77580446
42599,Cc1cc(OCCCCSc2ccccc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.05316158
42600,Cc1cc(OCCN2CCC(Cc3cccc(N4CCCS4(=O)=O)c3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.61131763
42601,Cc1cc(OCCN2CCC(Cc3ccccc3)CC2)ccc1OC=S(C)O,[*]CCOc1ccc(O[*])c([*])c1,0.559792
42602,Cc1cc(OCCN2CCC(OCCc3ccc(F)cc3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5387407
42603,Cc1cc(OCCN2CCC(c3ccccc3C)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.59950733
42604,Cc1cc(OCCN2CCCC(Cc3ccccc3)C2)ccc1ONS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.42623734
42605,Cc1cc(OCCNC(=O)c2ccc3ccccc3c2)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.030622108
42606,Cc1cc(OCCNC(=O)c2ccccc2[SH](C)(C)=O)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.013382244
42607,Cc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)[nH]1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64843017
42608,O=C(NC1CCN(CCN2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1)c1cc2ccccc2nc1O,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5686274
42609,O=C(NCCCN1CCN(Cc2cccc(Cl)c2)CC1)C1Cc2ccccc2C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49095646
42610,O=c1ccc2ccc(Oc3cccc(CN4CCN(CCCCl)CC4)c3)cc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.669582
42611,Oc1ccc(C2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.830169
42612,Oc1cccc2c1CN1CCc3cc(C=Nc4ccccc4Cl)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71570766
42613,Oc1ccccc1N1CCN(CCN2CCC(n3c(O)nc4ccc(F)cc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74591225
42614,CCCOc1ccc(OC2CCN(CCc3ccccc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7425104
42615,CCCOc1ccc(OCN)c(N2CCN(c3ccccc3C(C)=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17870769
42616,CCCOc1ccc(OCN2CCN(C(=O)c3ccc(S(C)(=O)=O)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04895507
42617,CCCOc1ccc(ONS(C)(=O)=O)c(-c2ccc(OC)c(OC(C)C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07000464
42618,CCCOc1ccc(ONS(C)(=O)=O)c(CC(C)COc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23190601
42619,CCCOc1ccc(OS(N)(=O)=O)c(N2CCCC(Cc3ccc(OC)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15872866
42620,CCNC(=O)c1cccc(-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41943684
42621,CCOCCCN1CCN(Cc2cccc(CNC(=O)c3cc4cccc(OC)c4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3506577
42622,CCSc1cc(CC2CCCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)C2)ccc1OC1CCC(=O)N1,[*]CCOc1ccc(O[*])c([*])c1,0.32344157
42623,CCc1cccc2c1CN1CCc3cc(OC)c(Oc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79297066
42624,CNCCOc1ccc(OC)c(NC(=O)c2cccc(C3CCCCC3)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.060973503
42625,COC1CCN(CCN2CCN(c3ccccc3-c3ccccc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8020511
42626,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3cc4cc(O)ccc4[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65587795
42627,COC1CCN(CCN2CCN(c3ccccc3C3Cc4ccc(F)cc4C3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7935141
42628,COCCOc1ccc(OC)c(N2CCN(C(C)c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35227704
42629,COOc1ccc(OCCCOc2ccc(F)cc2)cc1CCN1CCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8383506
42630,COc1cc2c(cc1O)C1Cc3cccc(C4CCN(Cc5ccccc5)CCO4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48409268
42631,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74490213
42632,COc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1cccc(C)c1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.24765725
42633,COc1ccc(OCCC2CCN(CCc3ccccc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.727895
42634,COc1ccc(OCCCc2ccccc2)cc1CN1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5437063
42635,COc1ccc(OCCN(C)C)cc1N1CCC(Cc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.41197297
42636,COc1ccc(OCCN2CCC(NC(=O)c3ccccc3)C2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.5821403
42637,COc1ccc(OCCN2CCC(Oc3cc4ccccc4o3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5679921
42638,COc1ccc(OCCNC=O)cc1N1CCN(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.32281318
42639,COc1ccc(OCCOS(C)(=N)=O)cc1N1CCCC(CCc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.3045555
42640,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(c2noc3cc(F)ccc23)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.35472
42641,CSOc1ccc(OCCNC(=O)COc2ccccc2C)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.033217344
42642,CSc1ccc2c(c1)CC(CNCOc1ccc(OCCNS(C)(=O)=O)cc1C)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.2870058
42643,Cc1cc(OCCC(O)COc2ccc3c(c2)CC(=O)CC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.14808594
42644,Cc1cc(OCCF)ccc1OS(=O)(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.08668051
42645,Cc1cc(OCCN2CCC(CSc3ccc(F)cc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.59419876
42646,Cc1cc(OCCN2CCC(Cc3cccc(F)c3)CC2)ccc1OS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5534426
42647,Cc1cc(OCCN2CCC(Nc3ccc(F)c(F)c3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.31651935
42648,Cc1cc(OCCNCc2ccccc2)ccc1OS(=N)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.25489163
42649,Cc1ccccc1N1CCN(CCN2CCC(c3nc(-c4ccc(Cl)cc4)cs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.713253
42650,ClCCCN1CCN(Cc2cccc(-c3cccc4c3C=Cc3ccccc3C4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6791328
42651,Clc1cccc(CN2CCN(CCCc3cc(-c4cccs4)co3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6287503
42652,Clc1cccc(CN2CCN(CCCc3cc(C=Cc4ccccc4)co3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7034818
42653,Fc1ccc(-c2ccnc(-c3ccccc3N3CCN(CCN4CCC(OC(F)(F)F)CC4)CC3)c2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7820571
42654,O=C(NCCCCN1CCN(Cc2cccc(Cl)c2)CC1)C1CCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6665529
42655,O=C(Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)N1C=CC=Cc2ccccc21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.2963478
42656,Oc1cccc2c1CN1CCc3cc(-c4ccccc4Cl)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63958466
42657,Oc1cccc2c1CN1CCc3cc(N4CCNCC4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63712746
42658,C#Cc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7065079
42659,C=Cc1cc2c(cc1O)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59805477
42660,CC(=O)c1ccc(F)cc1SC1CCN(CCOc2ccc(ON=S(C)(=O)O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.43309188
42661,CC(=O)c1ccc(OC2CCN(CCOc3ccc(OS(C)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.40886298
42662,CC(C)c1ccccc1N1CCN(CCN2CCC(c3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69860256
42663,CC1(C)CCc2ccccc2N1c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7267772
42664,CC1CCN(CCN2CCN(c3ccccc3COc3ccc4nc(O)ccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6299994
42665,CCCOc1ccc(OCCCc2ccccc2)c(N(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18750544
42666,CCCOc1ccc(ON2CCC(C(=O)c3ccc(SC)cc3)CC2)c(Cl)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16565734
42667,CCOc1cccc2c1CN1CCc3cc(OC)c(OCc4cccc5cc(CO)ccc45)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5642021
42668,CCOc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccc4)c(C)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7698718
42669,CCSc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.61848557
42670,COC1CCN(CCN2CCN(c3ccccc3-c3ccc4c(ccn4C)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7797452
42671,COCCOc1ccc(OC)c(NC(=O)COc2cccc(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0069285333
42672,COc1cc2c(cc1OC)C1Cc3cccc(COCc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78514874
42673,COc1ccc(C(C)c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6451051
42674,COc1ccc(OCCC2CCCC(Cc3ccc(OC4CCCNC4=O)cc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1280706
42675,COc1ccc(OCCCCCc2ccc3c(c2)CC(=O)CC3C)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.24287128
42676,COc1ccc(OCCCl)cc1CCNC(=O)c1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.1348904
42677,COc1ccc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1OS(C)(=N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5915924
42678,COc1ccc(OCCN2CCC(NC(=O)c3cccc(C(C)C)c3)C2)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4844741
42679,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1CN1CC=C(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.26259917
42680,COc1ccc(OCCNC(=O)c2ccccc2OC)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.020579925
42681,COc1ccc(OCCS(N)(=O)=O)cc1CN1CCC(Oc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.41198412
42682,COc1ccc2ccc(Cc3cccc4c3CN3CCc5cc(OC)c(O)cc5C3C4)cc2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71002275
42683,COc1cccc(CN2CCN(CCCCOc3cc4ccccc4cc3OC)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.640346
42684,COc1cccc2c1CN1CCc3cc(C(O)C4CC4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77080315
42685,COc1ccccc1N1CCN(CCN2CCC(Nc3ncnc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76639193
42686,Cc1cc(OCCCCCc2ccc3c(c2)NC(=O)CC3)ccc1ON(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.17303571
42687,Cc1cc(OCCCCOc2ccc3c(c2)NC(=O)CC3)ccc1ON1CCOCC1,[*]CCOc1ccc(O[*])c([*])c1,0.22308387
42688,Cc1cc(OCCN2CCCC(Cc3ccc4ccccc4c3)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.37277904
42689,Cc1cc(OCCNS(C)(=O)=O)ccc1OCC(=O)COc1ccc2c(c1)NCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.0725817
42690,Cc1ccccc1N1CCN(CCN2CCC(C#Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7176195
42691,Cc1ccccc1N1CCN(CCN2CCC(c3cc4cc(F)ccc4[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6437808
42692,Cc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccc4)c(C)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66126096
42693,Clc1ccc2nc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)cnc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7330566
42694,N=Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7257346
42695,O=C1CCCCN1c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5341932
42696,O=c1ccc(F)cn1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7101914
42697,OCC1CCN(CCN2CCN(c3ccccc3-n3c(O)nc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71893775
42698,Oc1cc2c(cc1Cc1c[nH]c3ccc(Cl)cc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73949176
42699,Oc1ccc(-c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cn1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5362369
42700,Oc1cccc2c1CN1CCc3cc(Cc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7427242
42701,Oc1cnc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)nc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7638423
42702,CC(=O)NCc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5097056
42703,CC(=O)c1cccc(N(Cc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)C(C)=O)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4903346
42704,CCCOc1ccc(OC(=O)COc2ccc(C(F)(F)F)cc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.029016074
42705,CCCOc1ccc(OC(O)Cc2ccc(F)cc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08045435
42706,CCCOc1ccc(OOC)c(N2CCN(c3cccc(CC(F)(F)F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3876565
42707,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3ccccc3CCF)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3146202
42708,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(Cc3ccc4c(c3)NC(=O)C(CC)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38568258
42709,CCCOc1ccc(Oc2ccc(F)cc2)c(C(=O)NCC2CCCN2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07451143
42710,CCCOc1ccc(Oc2ccccc2OCC(F)(F)F)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13363603
42711,CCCOc1ccccc1Nc1cc(OCCN=S(C)(=O)O)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.071801834
42712,CCOc1cccc2c1CN1CCc3cc(O)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72937775
42713,CCc1ccccc1C1CCN(Oc2ccc(OCCOC)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29372188
42714,CNC(=O)c1ccc(C2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6554823
42715,CNOc1ccc(OCCNCCc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.21049964
42716,COC1CCN(CCN2CCN(c3ccccc3CNS(=O)(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69159615
42717,COCCCN1CCN(Cc2cccc(C(=O)NC3CCCc4ccccc4C3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6351378
42718,COCCCN1CCN(Cc2cccc(C3CC(=O)c4ccc(-c5ccccc5)cc4C3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6645165
42719,COCCOc1ccc(OC)c(CN2CCN(c3ccccc3C(C)=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.582401
42720,COOc1ccc(OCCCC2CCc3ccccc3C2=O)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.25159854
42721,COOc1ccc(OCCN2CCN(c3ccccc3Cl)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.753667
42722,COc1cc2c(cc1O)CCN1Cc3c(CNOCc4ccc(C#N)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61199653
42723,COc1ccc(OCCNC(=O)c2ccc3c(c2)NC(=O)CC3)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10283421
42724,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.32237324
42725,COc1cccc(Cc2cccc(CN3CCN(CCCF)CC3)c2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6454442
42726,COc1cccc2c1CN1CCc3cc(S(=O)(=O)c4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63630664
42727,COc1ccccc1C(=O)C1CCN(CCN2CCN(c3ccccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8789378
42728,COc1ccccc1N1CCN(CCN2CCC(c3cc4cc(C#N)ccc4o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81715924
42729,COc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4cc(O)nc5ccccc45)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7585443
42730,COc1ccccc1N1CCN(CCN2CCC(c3cccc4c(Cl)cc(O)nc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80054826
42731,COc1ccccc1N1CCN(CCN2CCC(n3cc(C)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83562875
42732,COc1ccccc1N1CCN(c2cc(OCCN)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.40039855
42733,CS(=O)(=O)c1ccc(C(=O)NCCN2CCN(F)CC2)cc1-c1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.38508764
42734,CSOc1ccc(OCCN2CCC(c3ccc(OC4CCCC(=O)N4)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.526453
42735,Cc1cc(-c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)ccc1CO,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6209591
42736,Cc1cc(OCCF)ccc1ON1CCC(NS(=O)(=O)c2ccc(F)c(Cl)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22352041
42737,Cc1cc(OCCN2CCC(Oc3ccccc3C(C)C)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5990492
42738,Cc1cc(OCCN2CCCC(Cc3ccccc3)C2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.512419
42739,Cc1cc(OCCN2CCN(Cc3cc4ccccc4o3)CC2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.5737711
42740,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(Oc2ccc(CC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1642761
42741,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCN(C)CC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.14956221
42742,Cc1cc(OCCSCCc2ccc3c(c2)NC(=O)CC3)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.18372816
42743,FCCCN1CCN(Cc2cccc(Cc3cccs3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69115126
42744,FCCOCCCN1CCN(Cc2cccc(-c3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7148897
42745,O=C1C(=O)N(CCCN2CCN(Cc3cccc(Cl)c3)CC2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64238
42746,O=C1CCc2ccc(OCc3cccc(CN4CCN(CCCCl)CC4)c3)cc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7252119
42747,O=C1CN(CCCN2CCN(Cc3cccc(F)c3)CC2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6474795
42748,O=C1c2ccccc2OC1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6316987
42749,CC(=O)N(c1cccc(CN2CCN(CCCCl)CC2)c1)C1CCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6273231
42750,CCCOc1ccc(OCN)c(N2CCCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27600646
42751,CCCOc1ccc(OF)c(CNCC2CCc3ccc(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.49796066
42752,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(c3ccccc3)C(CC)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32135376
42753,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC3C=CC(=CC=C(OC4CCCC4)C2)C3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25334132
42754,CCOc1ccccc1NCCCOc1ccc(OOS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07270796
42755,CCSC1=CCCc2ccc(CCC(O)CCOc3ccc(ONS(C)(=O)=O)c(C)c3)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.15965904
42756,COC1CCN(CCN2CCN(c3ccccc3-n3cc(-c4cccs4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70714295
42757,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc(-c4ccc(F)cc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.90603536
42758,COCCOc1ccc(OC)c(CCc2ccsc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11780477
42759,COCCOc1ccc(OC)c(N2C(=O)CCc3cc(OCC4CCC4)ccc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21124032
42760,CON1CCN(CCNC(=O)c2ccc(Cl)c(-c3cccc(C)c3C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2433734
42761,COc1cc2c(cc1O)C1Cc3cccc(Cc4cccc([N+](=O)[O-])c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53817683
42762,COc1cc2c(cc1O)C1Cc3cccc(NC(=O)c4cccc(Cl)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.31342298
42763,COc1cc2c(cc1O)CCN1Cc3c(Cc4cccnc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6605402
42764,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cc(C#N)ccc3C)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6139317
42765,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cccc(NC(C)=O)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3402099
42766,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(cccc3C3CCCC3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70408016
42767,COc1ccc(C#N)c(-c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7008406
42768,COc1ccc(C(=O)Nc2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)c(OC)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.41107818
42769,COc1ccc(OCCCOC(C)=O)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.033732995
42770,COc1ccc(OCCCc2ccccc2)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10546252
42771,COc1ccc(OCCN(C)C)cc1N1CC=C(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5140988
42772,COc1ccc(OCCN2CCC(c3ccccc3)CC2)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.692065
42773,COc1ccc(OCCOCCc2ccccc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.115977086
42774,COc1ccc(OCCS(C)(=O)=O)cc1N1CC2CCC(C1)C2Cc1ccc(SC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.16033684
42775,COc1ccc(OCCS(C)(=O)=O)cc1OC(C)COc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.25495344
42776,COc1ccccc1-c1cc(C(=O)NCCN2CCN([O-])CC2)ccc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35384032
42777,COc1ccccc1C1CCN(CCOc2ccc(OS(=O)(=O)O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5644021
42778,COc1ccccc1N1CCN(CCN2CCC(c3ncccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85301703
42779,COc1ccccc1N1CCN(CCNC(=O)c2ccc(O)c(Br)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.96138495
42780,CS(=O)(O)=NOc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6207307
42781,CSOc1ccc(OCCNCCc2ccc3c(c2)SC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.14360157
42782,Cc1cc(OCCF)ccc1ON1CCC(NS(=O)(=O)c2cccc(Cl)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2855147
42783,Cc1cc(OCCN2CCC(Cc3ccc4c(F)cccc4c3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6342257
42784,Cc1cc(OCCNC(=O)COc2ccccc2F)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.018700348
42785,Cc1cc(OCCNCC2CCc3ccccc3C2=O)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.23541029
42786,Cc1ccccc1N1CCN(CCN2CCC(c3cc(C(F)(F)F)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73000205
42787,Cc1ccccc1N1CCN(CCN2CCC(c3nc(F)cs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70730186
42788,Fc1ccn(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8039752
42789,N#Cc1ccccc1N1CCN(CCN2CCC(c3nnc(-c4ccccc4)o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78719616
42790,NCCCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6346533
42791,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)c1ccc2c(c1)Cc1ccccc1C2,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72818667
42792,Oc1ccc(C2CCN(CCN3CCN(c4ccccc4SC(F)(F)F)CC3)CC2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.704393
42793,CCCOc1ccc(OCN2CCN(Cc3ccccc3OC)CC2)c(NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3599355
42794,CCCOc1ccc(OCSCC)c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30933112
42795,CCCOc1ccc(OF)c(CN2CCN(C(=O)c3ccc(CC(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07313637
42796,CCCOc1ccc(ONC(C)=O)c(N2CCC(Nc3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13247214
42797,CCCOc1ccc(ONC(c2ccc(F)cc2)C2CCNCC2)c(NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29086998
42798,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCCC(CCc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27445316
42799,CCCOc1ccc(OS(C)(=O)=O)c(CCOc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.111234024
42800,CCCSc1ccccc1N1CCN(CCN2CCC(n3ccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68116605
42801,CCCc1ccc(-c2cc(OCCN=S(C)(=O)O)ccc2OC)cn1,[*]CCOc1ccc(O[*])c([*])c1,0.06419371
42802,CCONCc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60981363
42803,CCc1cc2c(cc1OC)C1Cc3cccc(OCc4cccc(OC)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64185256
42804,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(C=O)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.722346
42805,COC1CCN(CCN2CCN(c3ccccc3-n3ccc(O)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7343174
42806,COCCCN1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.35141507
42807,COCCOc1ccc(OC)c(CC2CCC(Oc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24192138
42808,COCCOc1ccc(ON2CCC(c3ccccc3F)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3677105
42809,COOc1ccc(OCCF)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.85840577
42810,COOc1ccc(OCCOC(O)CCc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.15433143
42811,COc1cc2c(cc1OCc1ccc3ccccc3c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6797723
42812,COc1ccc(C(=O)NCCN2CCN(c3ccccc3OC(C)C)CC2)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.89481086
42813,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)cc1C(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6110323
42814,COc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1N(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.010281405
42815,COc1ccc(OCCNCc2ccccc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2888115
42816,COc1ccc(OCCNS(=O)(=O)c2cccc(C(C)C)c2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.06905983
42817,COc1ccc(OCCOS(C)(=O)=O)cc1CC(C)Cc1ccc(OC2CCCCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.1480446
42818,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Cc2ccccc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2366978
42819,COc1cccc(CN2CCN(CCCc3cccc(=O)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58311397
42820,COc1cccc2c1CN1CCc3cc(C)c(OCC4CCCC4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5851991
42821,COc1ccccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.37587392
42822,COc1ccccc1C1CCCN(CCOc2ccc(ON=S(C)(=O)O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5513163
42823,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cccn4nccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8279183
42824,CSOc1ccc(OCCN2CCC(Cc3ccc(F)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5231864
42825,Cc1cc(OCCN2CCC(NS(=O)c3ccccc3C(C)C)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6571794
42826,Cc1cc(OCCN2CCC(c3ccccc3)CC2)ccc1OOS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.6418746
42827,Cc1cc(OCCNC(=O)Cc2ccc(F)cc2)ccc1OCN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.067100085
42828,Cc1cc(OCCNCCc2ccc3c(c2)NC(=O)CC3)ccc1ONS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.101503186
42829,Cc1cc(OCCS(C)(=O)=O)ccc1ONCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.08643199
42830,Cc1cc2c(cc1O)CCN1Cc3c(cccc3C3CCCCC3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57826734
42831,Cc1cccc(CN2CCN(CCCC3=NS(=O)(=O)c4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51251847
42832,FC(F)(F)OCCCN1CCN(Cc2cccc(CNc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.44532996
42833,O=C(NCc1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.50895756
42834,O=C(Nc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.30438215
42835,O=C(O)c1ccc(F)cc1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72909105
42836,O=CNc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5343107
42837,O=c1ccc(C(F)(F)F)cn1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6535074
42838,Oc1cc2c(cc1N=COc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.611169
42839,Oc1nc2ccccn2c1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72556937
42840,CC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69984657
42841,CCCCN1CCN(Cc2cccc(CN3C(=O)c4ccccc4C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.47522324
42842,CCCNOc1ccc(OCCC)cc1N1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.36220825
42843,CCCOc1ccc(OCl)c(CN2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.68852836
42844,CCCOc1ccc(ON2CCC(c3noc4cc(F)ccc34)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38935164
42845,CCCOc1ccc(ON2CCCN(c3cccc(C(F)(F)F)c3)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33588004
42846,CCCOc1ccc(OOC)c(NC(=O)c2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08694521
42847,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28222507
42848,CCCOc1ccc(OSC)c(N2CCC(c3ccc(OCCCF)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3224227
42849,CCCOc1ccc(OSCC)c(C2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34126157
42850,CCOCCCN1CCN(Cc2cccc(-c3nccs3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57011384
42851,COC(=O)c1cc(OCCN2CCC(c3cccc(C(F)(F)F)c3)CC2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.4899463
42852,COC1CCN(CCN2CCN(c3ccccc3-c3cnc(-c4ccccc4)s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68025416
42853,COC1CCN(CCN2CCN(c3ccccc3C3CCC(c4ccccc4)CC3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77252084
42854,COCCOc1ccc(OC)c(CNc2ccc(C(=O)c3ccccc3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.022920443
42855,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)NCc3cccc(C#N)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48168752
42856,COc1cc2c(cc1O)CCN1Cc3c(cccc3N(C)C(=O)Cc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5370925
42857,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)Nc4cccc(Cl)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.30324125
42858,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)Nc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3599474
42859,COc1cc2c(cc1OC)CN(Oc1ccc(OCCF)cc1C)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.40861744
42860,COc1ccc(C(C)C)cc1NS(=O)(=O)CCOc1ccc(ON2CCCC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10780155
42861,COc1ccc(OCCC(C)=O)cc1CN1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.42445597
42862,COc1ccc(OCCC=Cc2ccccc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.102792546
42863,COc1ccc(OCCCC(Cc2ccc3c(c2)NC(=O)CC3)OC)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.23548035
42864,COc1ccc(OCCCN2CCC(C)C2)cc1-c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.5434714
42865,COc1ccc(OCCCS(=O)(=O)F)cc1N1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.32569635
42866,COc1ccc(OCCS(N)(=O)=O)cc1CCC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.3060663
42867,COc1cccc(C(=O)NC2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83035094
42868,COc1cccc2c1CN1CCc3cc(CCN(C)Cc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7105827
42869,COc1ccccc1NCc1cccc2c1CN1CCc3cc(Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5009517
42870,CS(=O)(=O)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6368561
42871,CSc1ccccc1N1CCN(CCN2CCC(Oc3ccc4c(c3)NC(=O)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72894734
42872,Cc1cc(OCCCS(C)(=O)=O)ccc1ON1CCCC(Cc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.24046727
42873,Cc1cc(OCCN2CCC(N[SH](C)c3cccc(C(N)=O)c3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5452514
42874,Cc1cc(OCCN2CCCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6522849
42875,Cc1cc(OCCNS(=O)(=O)C2CCCC2)ccc1ON1CCC(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2281355
42876,Cc1cc(OCCS(N)(=O)=O)ccc1Oc1ccc(CCc2ccccc2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.09432039
42877,Cc1cc2c(cc1O)C1Cc3cccc(-c4cccn4C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5872728
42878,Cc1ccccc1N1CCN(CCN2CCC(c3cnc4ccccn34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64582855
42879,Cc1ccccc1N1CCN(CCN2CCC(n3cnc4ccccc4c3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68707573
42880,O=C(NC1CCCc2ccccc21)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67372775
42881,O=C1Cc2ccccc2NC1CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6623626
42882,O=C1c2ccccc2NC(C=NCc2cccc(CN3CCN(CCCCl)CC3)c2)N1c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5797115
42883,O=Cc1coc(CCCN2CCN(Cc3cccc(Cl)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63298255
42884,O=c1cc(F)ccn1C1CCN(CCN2CCN(c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77286613
42885,O=c1oc2ccccc2cc1-c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7182001
42886,O=c1oc2ccccc2nc1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68012047
42887,C#CCN(C1CCC(c2ccccc2)CC1)C1CCN(CCN2CCN(c3ccccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8717336
42888,C=Cc1ccccc1OC1CCN(CCOc2ccc(OC)c(SC)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.61383015
42889,CCCCc1cccc(NOc2ccc(OCCC)cc2OC)n1,[*]CCOc1ccc(O[*])c([*])c1,0.09995439
42890,CCCOc1ccc(OCC(=O)NC(c2ccccc2)c2ccccn2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03138405
42891,CCCOc1ccc(OOC)c(CN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.85675776
42892,CCCOc1ccc(OOC)c(N2CCC(Cc3ccc4ccccc4n3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3574215
42893,CCCOc1ccc(OOS(C)(=O)=O)c(OC2CCCN(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.46787024
42894,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3ccccc3)C(CC)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30386028
42895,CCNCCc1cc(OCCC(F)COc2ccccn2)ccc1OOC,[*]CCOc1ccc(O[*])c([*])c1,0.14001828
42896,CCOC(=O)Nc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3637639
42897,CCOCCCN1CCN(Cc2cccc(S(=O)(=O)c3cccs3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.47178692
42898,CCOc1cc2c(cc1O)CCN1Cc3c(cccc3Oc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60320586
42899,CCOc1ccccc1N1CCN(CCN2CCC(c3cccc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7695535
42900,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(C(F)(F)F)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78431946
42901,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3cc4ccccc4ccc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4553498
42902,COCCCN1CCN(Cc2cccc(-c3ccc4cccccc3-4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68505704
42903,COCCCN1CCN(Cc2cccc(C(=O)NCC3CCCCC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4472973
42904,COCCc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.83964807
42905,COc1cc(C(F)(F)F)ccc1COc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.704271
42906,COc1cc2c(cc1-c1cc(Cl)ccc1CO)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71419334
42907,COc1cc2c(cc1O)C1Cc3cccc(CCc4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6810391
42908,COc1cc2c(cc1O)C1Cc3cccc(CN4CCCC(OCc5ccccc5)C4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5918317
42909,COc1cc2c(cc1O)CCN1Cc3c(COc4ccc(CO)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7717207
42910,COc1cc2c(cc1O)CCN1Cc3c(cccc3C3CCCO3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70008445
42911,COc1ccc(COC(=O)c2cc3c(cc2OC)CCN2Cc4c(C)cccc4CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3742144
42912,COc1ccc(OCCC=Cc2ccc(OC3CCNCC3)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.31457865
42913,COc1ccc(OCCCCCc2ccc3c(c2)NC(=O)CC3)cc1[SH](C)(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.31558183
42914,COc1ccc(OCCCS(N)(=O)=O)cc1N1C(=O)CCc2cc(CC3CCCCC3)ccc21,[*]CCOc1ccc(O[*])c([*])c1,0.18151513
42915,COc1ccc(OCCCc2ccc(OS(C)(=O)=O)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1012053
42916,COc1ccc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1NC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4334461
42917,COc1ccc(OCCN2CCC(Cc3ccc(F)cc3)CC2)cc1NC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.31718066
42918,COc1ccc(OCCN2CCCC(Cc3ccccc3)C2)cc1OS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.50667006
42919,COc1ccc(OCCNS(C)(=O)=O)cc1CC1CCc2ccc(CC3CCC3)cc2C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.27333128
42920,COc1ccc(OCCNS(C)(=O)=O)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07947063
42921,COc1cccc(-c2ccccc2N2CCN(CCN3CCC(c4cnccn4)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73065466
42922,COc1cccc(CN2CCN(CCCC(=O)n3c(C)cc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5380335
42923,COc1ccccc1-c1cc(C(=O)NCCN2CCN(C)CC2)ccc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.38594854
42924,Cc1cc(OCCCN2CCN(C)CC2)ccc1OCCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.61474407
42925,Cc1cc(OCCN=S(C)(=O)O)ccc1OC1CCN(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.41450852
42926,Cc1cccc(CN2CCN(CCCCc3cccc(=O)s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69019794
42927,O=C(Cc1ccccc1)Nc1cccc(-c2cccc(CN3CCN(CCCCl)CC3)c2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.32553488
42928,O=C(NCc1cccc(CN2CCN(CCCF)CC2)c1)C1(c2ccccc2)CCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49016204
42929,O=C(NCc1ccccc1N1CCN(CCN2CCC(O)CC2)CC1)c1cc(O)nc2ccccc12,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5963741
42930,O=[N+]([O-])c1cccc(Cc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46926478
42931,OCCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7382205
42932,CC(C)Oc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cc4ccccc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85539544
42933,CC1(C)c2ccccc2CN1C(=O)CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6474274
42934,CCCCc1ccc(-c2cc(OCCc3ccc(F)cc3)ccc2OOC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.10321424
42935,CCCOc1ccc(OC)c(NC(=O)C2CCC(NCc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06104708
42936,CCCOc1ccc(ON2CCN(Cc3ccc(F)cc3)CC2)c(OC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36097044
42937,CCCOc1ccc(OOC)c(CNc2ccccc2OCCF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.130544
42938,CCCOc1ccc(OOC)c(N2CCN(c3ccc(Cl)cn3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32359573
42939,CCOC(=O)NCc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38700357
42940,CCOC(=O)c1ccccc1N1CCN(CCN2CCC(Nc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5374727
42941,CCOCc1cc(OCCOC)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.11098506
42942,CCOCc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66504323
42943,CNc1ccccc1-c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4070495
42944,COCCCN1CCN(Cc2cccc(-c3cc(C(N)=O)cc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4366497
42945,COOc1ccc(OCCCF)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8345049
42946,COOc1ccc(OCCN2CCC(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.57786494
42947,COOc1ccc(OCCc2ccc(F)cc2)cc1CCNc1ccccn1,[*]CCOc1ccc(O[*])c([*])c1,0.105313234
42948,COc1cc(C)ccc1NC(=O)Oc1ccc(OCCF)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.035046127
42949,COc1cc2c(cc1Cl)CCN1Cc3c(N)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69939405
42950,COc1cc2c(cc1O)C1Cc3cccc(CC4CCc5cccc(N(C)C)c5C4=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6830376
42951,COc1ccc(C(=O)NCCN2CCN([N+](=O)[O-])CC2)cc1-c1ccccc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3023221
42952,COc1ccc(OCCCc2ccc(CS(C)(=O)=O)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.095445886
42953,COc1ccc(OCCN2CCCCC2)cc1OS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.22634546
42954,COc1ccc(OCCN=S(C)(=O)O)cc1NC(=O)Cc1ccc2c(c1)CC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.05297197
42955,COc1ccc(OCCNCC=Cc2ccccc2)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07753617
42956,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCCC(Cc2ccc(OC3NCCCC3=O)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.24025889
42957,COc1ccc(OCCSC)cc1N1CCC(O)(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29759786
42958,COc1cccc(CN2CCN(CCCN3C(C)(C)CCS3(=O)=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56588167
42959,COc1cccc(COc2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6550748
42960,COc1ccccc1-c1cc(C(=O)NCCN2CCN([N+](=O)[O-])CC2)ccc1Br,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29290637
42961,COc1ccccc1-c1cccc2c1CN1CCc3cc(O)c(C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52604026
42962,COc1ccccc1C1CCN(CCOc2ccc(ONC=S(=O)(O)O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5062995
42963,COc1ccccc1NCOc1ccc(OCCS(C)(=O)=O)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.05800215
42964,CSOc1ccc(OCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.72910875
42965,Cc1cc(OCCCN2CCN(c3ccc(Cl)cc3)CC2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.8296729
42966,Cc1cc(OCCF)ccc1OCN1CCN(c2cccc(C(F)(F)F)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5241915
42967,Cc1cc(OCCF)ccc1OCN1CCN(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5374834
42968,Cc1cc(OCCF)ccc1ONCC1Cc2ccccc2CC1C,[*]CCOc1ccc(O[*])c([*])c1,0.31600308
42969,Cc1cc(OCCN2CCC(S(=O)(=O)c3ccccc3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.6734443
42970,Cc1cc(OCCN=S(C)(C)=O)ccc1ON1Cc2ccccc2CC1CF,[*]CCOc1ccc(O[*])c([*])c1,0.24378254
42971,Cc1cc(OCCNC(=O)c2cc3ccccc3o2)ccc1OCN1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20553544
42972,Clc1cccc(CN2CCN(CCCC3CC=C(Nc4ncccn4)CC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6520642
42973,O=C(NCC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)c1cccs1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8419965
42974,O=Cc1cccc2c1CN1CCc3cc(O)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6435827
42975,O=c1c(CCCN2CCN(Cc3cccc(Cl)c3)CC2)cccc2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6545246
42976,OC=CNc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61815697
42977,CC(=O)c1cc(COc2ccc(OCCN=S(C)(=O)O)cc2C)ccc1OC1CCNC1,[*]CCOc1ccc(O[*])c([*])c1,0.089435145
42978,CCCCc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.82143617
42979,CCCOc1ccc(OCN2CCN(C)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.43256247
42980,CCCOc1ccc(ON)c(CN2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6242655
42981,CCCOc1ccc(ON2CCN(c3ccccc3OC)CC2)c(COCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33571926
42982,CCCOc1ccc(ONc2ccccc2OCC)c(CN2CCN(C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28708112
42983,CCCOc1ccc(OOC)c(CN2CCC(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.52331215
42984,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31338945
42985,CCSc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.56997633
42986,CCc1cc2c(cc1OC)C1Cc3cccc(-c4cccn4C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7193984
42987,CCc1ccccc1C1CC=CN(CCOc2ccc(OC)c(OS(C)(=O)=O)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.27692643
42988,CN=S(=O)(O)CCOc1ccc(ONCc2ccccc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04736211
42989,CNC(=O)Oc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46973202
42990,CNOc1ccc(OCCN2CCC(Oc3ccc(C(C)=O)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.36424863
42991,COCCCN1CCN(Cc2cccc(C(=O)N3CCCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54732674
42992,COCCNc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52979726
42993,COc1cc(C(=O)NCCN2CCN(C)CC2)ccc1-c1cccc(C)c1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.22367448
42994,COc1cc2c(cc1C(=O)NCc1ccc(F)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.549473
42995,COc1cc2c(cc1CO)CCN1Cc3c(CO)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8291442
42996,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3c(C(=O)O)ccc4ccccc34)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4930458
42997,COc1cc2c(cc1OC)C1Cc3cccc(COC4CCCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77042466
42998,COc1cc2c(cc1OC)C1Cc3cccc(Cn4cccc4C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7205224
42999,COc1ccc(C2CCN(c3cc(OCCSC)ccc3OC)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.37150705
43000,COc1ccc(OCCCCSc2ccccc2)cc1NC(=O)c1ccc(SC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.023519749
43001,COc1ccc(OCCF)cc1N1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25065458
43002,COc1ccc(OCCN2CCC(Oc3ccc(C)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.37896475
43003,COc1ccc(OCCN2CCCCC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.4022425
43004,COc1ccc(OCCN=S(C)(=O)O)cc1CC1CCNC(=O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.12961173
43005,COc1ccc(OCCN=S(C)(=O)O)cc1NC(=O)Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.0076925834
43006,COc1cccc(CN2CCN(CCCCN3C(=O)C=C(c4ccccc4)C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67210317
43007,COc1cccc(CN2CCN(CCCCc3coc4ccccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7587517
43008,COc1cccc2c1CN1CCc3cc(-c4ccc(N)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70442444
43009,COc1cccc2c1CN1CCc3cc(C)c(-c4ccc(N(C)C)cc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70079684
43010,COc1ccccc1-c1cc(C(=O)NCCN2CCN(O)CC2)ccc1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.34815615
43011,COc1ccccc1N1CCN(CCNC(=O)c2ccc(Br)c(O)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.9483318
43012,CS(=O)(=O)NCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49137187
43013,CSOc1ccc(OCCNCc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.16232722
43014,Cc1cc(OCCN2CCCC(CCc3ccc(F)cc3)C2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.50641274
43015,Cc1cc(OCCN=S(C)(=O)O)ccc1OCCCCc1ccc2c(c1)CC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.16406089
43016,Cc1cc(OCCN=S(C)(=O)O)ccc1ONCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.063516796
43017,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)CC(CO)CC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.14788777
43018,Cc1cccc(CN2CCN(CCCCN3C(=O)Cc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.8248424
43019,FC(F)(F)C1CCN(CCN2CCN(c3ccccc3-n3ccc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74395734
43020,N#CCOc1ccccc1N1CCN(CCN2CCC(Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7996124
43021,NOC(=O)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51093775
43022,Oc1cc2c(cc1C1(O)CCCC1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72425383
43023,Oc1cc2c(cc1OCc1ccsc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7648506
43024,CCCCCCN1CCN(Cc2cccc(OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.690416
43025,CCCOc1ccc(ON(C)C)c(-c2ccccc2OCC(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19283636
43026,CCCOc1ccc(ON)c(N2CCN(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33895543
43027,CCCOc1ccc(ONC(=O)c2ccc(F)cc2)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.66981494
43028,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCCC(Cc3cccc4c3NC(=O)CCC4)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25867662
43029,CCCOc1ccc(OOC)c(NC(=O)c2ccc3c(c2)CCC(=O)N3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10176804
43030,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3ccc(F)cc3)CC2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31182927
43031,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(CCc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25024396
43032,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(Cc3ccc(SC)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1820492
43033,CCCOc1ccc(O[SH](C)(=O)[O-])c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21069919
43034,CCOCCCN1CCN(Cc2cccc(Oc3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67741483
43035,CCOc1ccccc1N1CCN(CCN2CCC(c3ncc(-c4ccccc4)o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7718402
43036,CCOc1ccccc1N1CCN(Cc2cc(OCCOC)ccc2Oc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.84328383
43037,CNC(=O)CCOc1ccc(ONCc2ccccc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.013830159
43038,COc1cc2c(cc1C)C1Cc3cccc(C(=O)COc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39631668
43039,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc5[nH]c(C(=O)O)cc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51012224
43040,COc1cc2c(cc1O)C1Cc3cccc(Cc4nccc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6737145
43041,COc1cc2c(cc1OC)C1Cc3cccc(NC(=O)NCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.26324835
43042,COc1cc2c(cc1Oc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8104981
43043,COc1ccc(-c2cc3c(cc2C)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64014274
43044,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1cccc2c1OCCO2,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26261285
43045,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.281007
43046,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCS4)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5153168
43047,COc1ccc(OCCN2CCCC(Cc3ccc(OC4CCCC(=O)N4)cc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.41433933
43048,COc1ccc(OCCSC)cc1NCC1CCN(C(=O)c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.066726476
43049,COc1cccc(CCCCCN2CCN(Cc3cccc(OC)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.71871054
43050,COc1cccc2c1CN1CCc3cc(C(=O)NCc4ccccc4)c(CO)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35532376
43051,COc1cccc2c1CN1CCc3cc(Oc4cccc5ccccc45)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72902155
43052,COc1ccccc1-c1cc(C(=O)NCCN2CCN(C)CC2)ccc1C(C)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.34093526
43053,COc1ccccc1CCCN1CCN(Cc2cccc(OCc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.597568
43054,CS(=O)(=O)Oc1cc2c(cc1N)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7368994
43055,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)ccc1O[SH](C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.622496
43056,Cc1cc(OCCN2CCC(NC(=O)c3ccc(F)cc3)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4589906
43057,Cc1cc(OCCN2CCC(c3ccc(F)cc3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.7163381
43058,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(CCc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27840534
43059,Cc1cc(OCCNC(=O)COc2ccc3c(c2)CCCCC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.055490166
43060,Cc1cc(OCCNC(=O)c2ccc(F)cc2)ccc1OOC1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.05398928
43061,Cc1cc(OCCNCc2ccc(OC3CCNCC3)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.19005623
43062,Cc1cc(OCCNCc2ccccc2)ccc1OSN(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.2501882
43063,Cc1cc(OCCNS(=O)(=O)c2ccc(F)c(F)c2)ccc1ON1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.18023469
43064,Cc1cc(OCCOS(C)(=O)=O)ccc1ONCCC1=CC=CC(=O)CC2CCCCC12,[*]CCOc1ccc(O[*])c([*])c1,0.0657184
43065,Cc1cccc(CN2CCN(CCCCc3cccc4ccccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6646938
43066,Cc1ccccc1N1CCN(CCN2CCC(c3ccccc3C#N)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.61097926
43067,FC(F)(F)CCCN1CCN(Cc2cccc(-c3cccs3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61513585
43068,N#Cc1cccc2c1CN1CCc3cc(Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75257444
43069,O=C1CCc2ccc(-c3cccc(CN4CCN(CCCF)CC4)c3)cc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.76305836
43070,O=c1c2ccccc2ccn1CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5729687
43071,CC(=O)Nc1cccc(C2CCN(CCN3CCN(c4ccccc4OC(F)(F)F)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6091805
43072,CC(=O)c1ccc(CCNCCOc2ccc(OOS(C)(=O)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.11283991
43073,CC(C)Oc1ccccc1N1CCN(CCN2CCC(n3ccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8616176
43074,CCCCc1cccc(CCOc2ccc(OC)c(S(C)(=O)=O)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09772685
43075,CCCOc1ccc(OC(=O)COc2ccccc2C)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.036442
43076,CCCOc1ccc(OC(N)=O)c(CN2CCC(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4829451
43077,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCCC(CCc3ccc4c(c3)CNC(=O)C4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30252856
43078,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCCC(Cc3ccc(CC)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1887903
43079,CCCOc1ccc(OS(C)(=O)=O)c(CCNCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15769774
43080,CCCOc1ccc(OS(C)(=O)=O)c(N2CCN(c3ccccc3F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22485673
43081,CCCOc1ccc(OSC)c(N2CC=C(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37781954
43082,CCCc1cc(CC2CCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)CC2)ccc1OC1CCNC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.4741323
43083,CCOc1ccccc1C1CCN(CCOc2ccc(OOS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6207825
43084,CCOc1ccccc1N1CCN(CCOc2ccc(OC)c([SH](C)(=O)O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7489705
43085,CCc1cccc2c1CN1CCc3cc(O)c(C(=O)OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5790699
43086,COC(=O)c1cccc2c1CN1CCc3cc(OC)c(OCc4ccc(OC)cc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4761541
43087,COC1CCN(CCN2CCN(c3ccccc3-c3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83376175
43088,COC1CCN(CCN2CCN(c3ccccc3-n3cc(C(F)(F)F)nc3C(C)=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.573369
43089,COC1CCN(CCN2CCN(c3ccccc3[N+](=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69547784
43090,COCCCN1CCN(Cc2cccc(-c3ccc4ccc(S)cc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5413116
43091,COCCCN1CCN(Cc2cccc(CN3Cc4ccccc4C3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6999442
43092,COCCCN1CCN(Cc2cccc(N3C(=O)CC(C)(C)OC3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.599541
43093,CON1CCN(CCNC(=O)c2ccc(C)c(-c3ccccc3S(=O)(=O)O)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2983259
43094,COc1cc2c(cc1CCc1cccc([N+](=O)[O-])c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53937227
43095,COc1cc2c(cc1O)C1Cc3cccc(CNC(=O)c4ccc(C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41495565
43096,COc1cc2c(cc1O)C1Cc3cccc(OCCc4ccc(C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6094645
43097,COc1cc2c(cc1O)CCN1Cc3c(CNOCc4ccc(C)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5096278
43098,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc(S(C)(=O)=O)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52847624
43099,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cccc4cc(C#N)ccc34)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6791169
43100,COc1ccc(OCCCCSc2ccccc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.087271005
43101,COc1ccc(OCCCN2CCC(c3ccccc3OC3CC3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6292562
43102,COc1ccc(OCCNS(=O)(=O)c2cc(F)ccc2OC)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.083561346
43103,COc1ccc(OCCS(C)(=O)=O)cc1C1CCCN(Cc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.45113873
43104,COc1ccc2cccc(COc3cccc4c3CN3CCc5cc(OC)c(O)cc5C3C4)c2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75609887
43105,COc1cccc2c1CN1CCc3cc(C=NOc4cccc(C(F)(F)F)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61839515
43106,COc1ccccc1N1CCN(CCN2CCC(c3cc(F)cc(F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79196864
43107,CSc1ccccc1N1CCN(CCN2CCC(c3ncc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74292076
43108,Cc1cc(OCCN2CCC(COc3ccc4c(c3)NC(=O)CC4)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5773348
43109,Cc1cc(OCCN2CCC(c3ccccc3F)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.64226776
43110,Cc1cc(OCCNCCc2cccs2)ccc1ON=S(=O)(O)O,[*]CCOc1ccc(O[*])c([*])c1,0.11530581
43111,Cc1cc(OCCS(C)(=O)=O)ccc1OCN1CCC(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.40227842
43112,Cc1cc(OCCS(N)(=O)=O)ccc1ONCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06656967
43113,Cc1ccc(OC2CCCN(CCOc3ccc(OOS(C)(=O)=O)c(C)c3)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.29062808
43114,ClC1CCN(CCN2CCN(c3ccccc3-c3nc4ccccc4s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7617825
43115,O=C1c2ccccc2S(=O)(=O)N1CCCN1CCN(Cc2cccc(OC(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6335758
43116,CCC(=O)NCCc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36763236
43117,CCCOc1ccc(OC(N)=O)c(CCC2CCc3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24168015
43118,CCCOc1ccc(OCCCOc2ccc(F)cc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16019088
43119,CCCOc1ccc(OCN)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.82024133
43120,CCCOc1ccc(OCN2CCC(c3ccccc3OC)CC2)c(N)c1,[*]CCOc1ccc(O[*])c([*])c1,0.63208866
43121,CCCOc1ccc(OCN2CCC(c3ccccc3OC)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.49290195
43122,CCCOc1ccc(ON)c(N2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40582013
43123,CCCOc1ccc(OO)c(CN2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.80532926
43124,CCOC[S+]1C(=O)CCc2ccc(CCC(=O)NCCOc3ccc(ON)c(C)c3)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.040856544
43125,CCOc1ccccc1N1CCN(CCN2CCC(Oc3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8210886
43126,CCc1ccccc1N1CCN(CCN2CCC(C(=O)Nc3cccc(Oc4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5957623
43127,CNC(=O)CCOc1ccc(OC)c(N2CCc3ccc(CC4CCCC4)cc3CC2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15312958
43128,COCCOc1ccc(OC)c(CCOc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19009565
43129,COc1cc2c(cc1C)C1Cc3cccc(Cc4ccc(F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6039517
43130,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(OC#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74434626
43131,COc1cc2c(cc1O)C1Cc3cccc(OC=Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7178507
43132,COc1cc2c(cc1O)CCN1Cc3c(cccc3OC3CCCC3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75680286
43133,COc1ccc(C(=O)NCCN2CCN(OCc3ccccc3)CC2)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30596536
43134,COc1ccc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)cc1CO,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.87885773
43135,COc1ccc(CNC(=O)c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4960289
43136,COc1ccc(F)cc1SC1CCN(CCOc2ccc(ONS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.588524
43137,COc1ccc(OCCC(=O)c2ccc(F)cc2)cc1NC(=O)C1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.05238411
43138,COc1ccc(OCCCCNC(=O)c2cccs2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.047627974
43139,COc1ccc(OCCN(C)C)cc1CS(=O)(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.14892714
43140,COc1ccc(OCCN2CCC(Cc3ccc(F)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.57719624
43141,COc1ccc(OCCN2CCC(c3cccc(C(F)(F)F)c3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.58534455
43142,COc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.014614356
43143,COc1ccc(OCCNC(C)=O)cc1NCCc1ccccc1OC1CCNC1,[*]CCOc1ccc(O[*])c([*])c1,0.11469584
43144,COc1ccc(OCCS(C)(=O)=O)cc1N1C(=O)CCc2cc(CCC3CCC3)ccc21,[*]CCOc1ccc(O[*])c([*])c1,0.22358876
43145,COc1ccc(OCCc2ccccc2OCC(F)(F)F)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.14184903
43146,COc1ccccc1C1CCN(CCN2CCN(c3ccccc3SC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76945525
43147,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cc4ccccc4ccc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84793526
43148,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc4cccc(OC)c4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8734896
43149,COc1ccccc1N1CCN(CCN2CCC(Oc3ccc4nc(O)cnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71718305
43150,COc1ccccc1N1CCN(CCN2CCC(c3ccccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87613696
43151,COc1ccccc1N1CCN(CCN2CCC(c3ccoc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8566874
43152,CS(=O)(=O)NOc1ccc(OCCF)cc1N1CCC(COc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.39763558
43153,CSOc1ccc(OCCN2CCC(Nc3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.57369745
43154,Cc1cc(OCCCCCc2ccc3ccccc3c2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.06406408
43155,Cc1cc(OCCNC2CCCC(Cc3ccccc3)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.17545694
43156,Cc1cc(OCCNCCc2ccc3c(c2)OC(=O)CC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.23571646
43157,Cc1cc(OCCNS(=O)(=O)c2cccc(F)c2F)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06793349
43158,Cc1cc(OCCNc2ccccc2)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.07302012
43159,Cc1ccc2cc1NC(=O)CCC(CNCCOc1ccc(ON)c(C)c1)CO2,[*]CCOc1ccc(O[*])c([*])c1,0.08950787
43160,Fc1cccc(CN2CCN(CCCc3ccccc3F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6864479
43161,O=C(NCc1cccc(CN2CCN(CCCF)CC2)c1)C1CCc2ccccc2C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6884695
43162,O=c1cc2ccccc2cn1-c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7341583
43163,OCc1ccccc1-c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6812308
43164,Oc1ccc(CCCCN2CCN(Cc3cccc(Cl)c3)CC2)o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70513654
43165,CCCN1CCC(c2cc(OCCSC)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.68718237
43166,CCCOc1ccc(OC)c(CN2CCN(C(=O)c3ccccc3SC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12714282
43167,CCCOc1ccc(ON)c(N2CCC(NC(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19437072
43168,CCCOc1ccc(ON2CCC(c3coc4cc(F)ccc34)CC2)c(NC=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2909672
43169,CCCOc1ccc(ONS(=O)(=O)c2ccccc2)c(NCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10397616
43170,CCCOc1ccc(OSC)c(N2CCCC(Cc3ccc(Cl)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3368676
43171,CCOC(=O)Nc1cc2c(cc1C)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.352242
43172,CCOc1ccccc1N1CCN(c2cc(OCCS(C)(=O)=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28341517
43173,CCn1c(CCOc2ccc(ON3CCN(C)CC3)c(C)c2)cc2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.3381433
43174,CNOc1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.49636912
43175,COC1CCN(CCN2CCN(c3ccccc3-c3cc(-c4ccc(F)cc4)cnn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7529374
43176,COCCCN1CCN(Cc2cccc(CN(c3ccccc3)C3CCCCC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5978679
43177,COCCc1ccc(N=Cc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6635141
43178,COOc1ccc(OCCN2CCC(Oc3ccc4cc(OC)ccc4c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.56723785
43179,COc1cc(CO)ccc1-c1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74560225
43180,COc1cc2c(cc1O)C1Cc3cccc(-c4cc(CO)ccn4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6205822
43181,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(Oc4ccccc4)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6455464
43182,COc1cc2c(cc1O)CCN1Cc3c(cccc3N(C)C)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8448614
43183,COc1cc2c(cc1OC)C1Cc3cccc(NC(=O)c4c[nH]c5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.2854727
43184,COc1cc2c(cc1OCc1ccc(N(C)C)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7549636
43185,COc1ccc(C(=O)NCCN2CCN(SC)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.24989983
43186,COc1ccc(C(=O)Nc2cc(OCCCOc3ccccc3C(C)C)ccc2OC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.050424162
43187,COc1ccc(OCCCN2CCC(=O)N2)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.30804557
43188,COc1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1SC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.49799073
43189,COc1ccc(OCCN=S(C)(=O)O)cc1CN1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.42952648
43190,COc1ccc(OCCS(C)(=O)=O)cc1CS(=O)(=O)Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.079022504
43191,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31104806
43192,COc1cccc(CN2CCN(CCCC3CCCc4c(O)cccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6399031
43193,COc1cccc(CN2CCN(CCCCn3ccc(OC)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6787921
43194,COc1ccccc1C(=O)NC1CCN(CCN2CCN(c3ccccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71189046
43195,COc1ccccc1C1CCN(Oc2ccc(OCCCS(N)(=O)=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3174918
43196,COc1ccccc1N1CCN(CCN2CCC(C(=O)N(C)c3ccccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8134482
43197,CSc1ccc(CNOc2ccc(OCCS(C)(=O)=O)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.055475824
43198,Cc1cc(OCCF)ccc1ON1CCC(F)(S(=O)(=O)c2ccccc2C(N)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.26363775
43199,Cc1cc(OCCF)ccc1ONC(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.032636285
43200,Cc1cc(OCCN2CCC(NC(=O)c3ccc(F)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.53434503
43201,Cc1cc(OCCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.71826214
43202,Cc1cc(OCCNC(=O)COc2ccc3c(c2)NC(=O)CC3)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.060529217
43203,Cc1ccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2O)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.1828112
43204,ClC1CCN(CCN2CCN(c3ccccc3-c3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8388678
43205,N#Cc1cccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6097747
43206,O=C(CCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1)Nc1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.30067512
43207,O=C(Cc1ccccc1)NCCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46959573
43208,O=C(NCCCN1CCN(Cc2cccc(F)c2)CC1)c1cc2ccccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4296089
43209,O=C1CCc2ccc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)nc2N1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7838653
43210,O=Nc1cccc(Cc2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6525416
43211,Oc1ccc2cccc(-c3cccc(CN4CCN(CCCCl)CC4)c3)c2n1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5844557
43212,CCC(C)(C)c1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7804996
43213,CCCOc1ccc(ON(C)CC=O)c(N2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3046317
43214,CCCOc1ccc(ON=S(C)(=O)O)c(CN2CCc3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31483153
43215,CCCOc1ccc(OS(C)(=O)=O)c(NCCc2ccc3c(c2)OCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18003726
43216,CCCOc1ccc(OS(N)(=O)=O)c(C(C)COc2ccc(CS)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.051021103
43217,CCCc1ccc(-c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7296014
43218,CCOc1ccccc1N1CCN(CCOc2ccc(OC)c(C(=O)NC)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.851201
43219,CCOc1ccccc1NCCCOc1ccc(OOC)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08487296
43220,CNc1cc2c(cc1OC)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6750216
43221,CNc1ccc(COCc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52179486
43222,COC1CCN(CCN2CCN(c3ccccc3-n3cnc(-c4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8030322
43223,COCCOc1ccc(OC)c(NCCc2ccc3c(c2)CCC(=O)N3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1386435
43224,COCCOc1ccc(Oc2ccc(OCCF)cc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10963291
43225,COOc1ccc(OCCCC(=O)Cc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.1766168
43226,COc1cc(C(=O)NCCN2CCN(O)CC2)ccc1-c1ccccc1SC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33189934
43227,COc1cc2c(cc1Br)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8101546
43228,COc1cc2c(cc1O)CCN1Cc3c(CC4CCC4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71776986
43229,COc1cc2c(cc1OCCNC(C)=O)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5129535
43230,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(cccc3OC(C)C)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7325576
43231,COc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(Cl)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7107892
43232,COc1ccc(OCCCS(C)(=O)=O)cc1N1CCC(C(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24599092
43233,COc1ccc(OCCF)cc1CS(=O)(=O)NC1CCC(C(F)(F)F)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19532509
43234,COc1ccc(OCCF)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.100466885
43235,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)cc1C(=O)NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6239403
43236,COc1ccc(OCCN2CCCC(Cc3ccc(F)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.50254244
43237,COc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.015595291
43238,COc1ccc(OCCNS(=O)(=O)c2ccc(C(C)C)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.054028854
43239,COc1ccc(OCCSC)cc1NC1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22435915
43240,COc1ccccc1N1CCN(CCN2CCC(c3ccc4nc(O)oc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80422634
43241,CSOc1ccc(OCCN2CCCC2Cc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.38425934
43242,Cc1cc(OCCF)ccc1OCN1CC=C(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.44926935
43243,Cc1cc(OCCN2CCN(c3ccccc3OCCF)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.764685
43244,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)CCC(=O)N3)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.047691133
43245,Cc1cc(OCCNC(=O)Cc2ccccc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.011773531
43246,Cc1cc(OCCNS(=O)(=O)c2cccc(Cl)c2)ccc1OF,[*]CCOc1ccc(O[*])c([*])c1,0.07381181
43247,Cc1cc2c(cc1C(=O)NCc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3745705
43248,Cc1ccc(C)c(C2CCN(CCOc3ccc(OOS(C)(=O)=O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4594546
43249,Cc1cccc(CN2CCN(CCCc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6748791
43250,ClCCCN1CCN(Cc2cccc(Cc3csc(-c4ccccc4)n3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6416879
43251,N#Cc1ccc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76043934
43252,N#Cc1cccc(Cc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62375396
43253,N#Cc1ccccc1N1CCN(CCN2CCC(n3cccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82642347
43254,O=C(NCCN1CCN(F)CC1)c1ccc(F)c(-c2cccc(N3CCOC3=O)c2)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.34991723
43255,O=C(c1ccc(F)cc1)c1ccccc1N1CCN(CCN2CCC([N+](=O)[O-])CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.60220087
43256,O=C1Cc2ccccc2C(c2cccc(CN3CCN(CCCC(F)(F)F)CC3)c2)O1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5634278
43257,O=c1ccccn1-c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6626888
43258,Oc1cc2c(cc1OCCF)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.718001
43259,CCCC(O)c1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64795566
43260,CCCCc1ccc(CCOc2ccc(ON=S(C)(=O)O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.070807405
43261,CCCOc1ccc(OC=Cc2ccccc2OC2CCNCC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26872438
43262,CCCOc1ccc(OCCNc2cccc3nc(F)ccc23)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06572787
43263,CCCOc1ccc(OCN2CCC(C(=O)F)CC2)c(C(C)Cc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.42533347
43264,CCCOc1ccc(ON2CCC(CCc3cc4ccccc4o3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4044778
43265,CCCOc1ccc(ON2CCN(C(C=O)c3ccc(F)cc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24390809
43266,CCCOc1ccc(ON2CCN(c3ccccc3OCC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3028307
43267,CCCOc1ccc(OOC)c(NC(=O)Cc2ccc3ccccc3c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.010671069
43268,CCc1ccccc1OC1CCC(NCCOc2ccc(OOC)c(C)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.14198951
43269,COC(=O)c1cc2c(cc1O)CCN1Cc3c(C#N)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5315291
43270,COC1CCN(CCN2CCN(c3ccccc3Cc3cc4ccccc4o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7491597
43271,COOc1ccc(OCCCC(=O)c2ccccc2N2CCOCC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.071985066
43272,COOc1ccc(OCCc2cc(C3CCN(Cc4ccc(F)cc4)CC3)no2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.49079219
43273,COc1cc2c(cc1C(=O)NCc1cccc(C#N)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46600902
43274,COc1cc2c(cc1C(=O)Nc1cccc(C)c1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.33366293
43275,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)Nc3cccc(F)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38188332
43276,COc1cc2c(cc1OC)C1Cc3cccc(N4CCCCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44587952
43277,COc1cc2c(cc1OCc1cccc(C(F)(F)F)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71592337
43278,COc1ccc(F)cc1S(=O)(=O)NCCOc1ccc(OOCC2CCNC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1781355
43279,COc1ccc(OCCC(=O)COc2ccc(CCF)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.036960367
43280,COc1ccc(OCCC(N)=O)cc1C(F)CCc1ccon1,[*]CCOc1ccc(O[*])c([*])c1,0.038754247
43281,COc1ccc(OCCC2(F)CCN(Cc3ccc(F)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4268597
43282,COc1ccc(OCCCCCc2cccs2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.071357705
43283,COc1ccc(OCCN=S(C)(=O)O)cc1Cc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.06518009
43284,COc1ccc(OCCNC(C)=O)cc1NS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.03471244
43285,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC2(Cc3ccc(SC(F)(F)F)cc3)CCC2C1,[*]CCOc1ccc(O[*])c([*])c1,0.25178412
43286,COc1ccc(OCCOCC(C)C)cc1CN1CCN(C(=O)c2ccc(SC)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.08285525
43287,COc1ccc(OCCS(C)(=O)=O)cc1NCCc1cccc2c1CCC(=O)C2,[*]CCOc1ccc(O[*])c([*])c1,0.2100943
43288,COc1cccc(CN2CCN(CCCC(=O)c3ccc4occc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.52271414
43289,COc1cccc(CN2CCN(CCCC3Cc4ccccc4C(=O)N3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64891964
43290,COc1cccc(OC)c1-c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.85806376
43291,COc1cccc(Oc2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78697085
43292,COc1cccc2c1CN1CCc3cc(C)c(-c4cccc5ccccc45)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6126796
43293,COc1cccc2c1CN1CCc3cc(Cc4ccccc4C#N)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7552351
43294,COc1ccccc1NC(=O)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39913148
43295,Cc1cc(OCCNC(=O)COc2cccc(CF)c2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.011043968
43296,Cc1cc(OCCNCCc2ccc3c(c2)NC(=O)CC3)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.18539086
43297,Cc1cc(OCCNS(C)(=O)=O)ccc1OCCCc1ccc(C2CCCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.1488939
43298,Cc1ccn(-c2ccccc2N2CCN(CCN3CCC(C(F)(F)F)CC3)CC2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73848474
43299,FC(F)(F)c1ccccc1N1CCN(CCN2CCC(c3nnc(-c4ccccc4)s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81540287
43300,FC(F)(F)c1ccccc1N1CCN(CCN2CCC(n3ccc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7211758
43301,Fc1cnc(C2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)nc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8206512
43302,O=C(c1cccc(CN2CCN(CCCF)CC2)c1)N1CCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57212204
43303,O=[N+](c1ccccc1)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.592016
43304,Oc1cccc2c1CN1CCc3cc(N=S(O)(O)=Cc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6515193
43305,C#Cc1cccc(C(=O)c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7784306
43306,CC(=O)NCCOc1ccc(OCN2CCC(Cc3ccc4ccccc4c3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2767602
43307,CCCCOc1ccc(OSC)c(N2CCCC(c3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34977555
43308,CCCCc1ccn(COc2ccc(OCCC)cc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11041659
43309,CCCOc1ccc(ON)c(N2CCN(CCc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8165817
43310,CCCOc1ccc(OS(C)(=O)=O)c(-c2ccoc2CCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07860195
43311,CCc1ccc(CNC(=O)c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5290522
43312,CNC(=O)c1ccc2c(c1)C(c1cccc(CN3CCN(CCCOC)CC3)c1)CCC2,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5225532
43313,COC1CCN(CCN2CCN(c3ccccc3-c3cc(C(F)(F)F)cnc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7072889
43314,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ncccn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8074562
43315,COC1CCN(CCN2CCN(c3ccccc3COc3ccc4ncccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.61482054
43316,COCCOc1ccc(OC)c(N2CCC(c3ccccc3C(C)=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16829598
43317,COOc1ccc(OCCF)cc1CCCN1CCN(c2ccccc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8202887
43318,COOc1ccc(OCCN2CCC(NS(=O)(=O)c3ccc(F)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.63722175
43319,COOc1ccc(OCCSCCc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.21707335
43320,COc1cc2c(cc1CN(C)c1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74292207
43321,COc1cc2c(cc1Cc1ccccc1)CCN1Cc3c(CCc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77977824
43322,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(CNc4ccccc4)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47093585
43323,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)OCc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50102663
43324,COc1cc2c(cc1OC)C1Cc3cccc(OCC#Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7799657
43325,COc1ccc(C(=O)NCCN2CCN(COc3ccccc3)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.24363238
43326,COc1ccc(OCCCC(=O)c2cccs2)cc1CN1CCN(C(=O)c2ccc(SC)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.114699066
43327,COc1ccc(OCCCCC(=O)c2ccc(F)cc2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08718848
43328,COc1ccc(OCCCc2ccc(S(C)(=O)=O)cc2)cc1N1CCCC(C(=O)O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.1353823
43329,COc1ccc(OCCF)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07758902
43330,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1CN(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.03361626
43331,COc1ccc(OCCNC(=O)c2ccc(F)c(SC)c2)cc1NC=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.029951112
43332,COc1ccc(OCCNC(C)=O)cc1N1CCC(C(=O)c2ccc(SC)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.14775734
43333,COc1ccc2cc(C(=O)NC3CCN(CCN4CCN(c5ccccc5C)CC4)CC3)sc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.647431
43334,COc1ccc2nccc(C(=O)NC3CCN(CCN4CCN(c5ccccc5OC)CC4)CC3)c2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82668644
43335,COc1cccc(CN2CCN(CCCCn3cc(-c4ccccc4)cc3O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6905638
43336,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(Cl)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3238741
43337,COc1ccccc1N1CCN(CCN2CCC(COc3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8072582
43338,COc1ccccc1N1CCN(CCN2CCC(Oc3cccc4cccnc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.88390625
43339,CSc1ccc(CS(=O)(=O)NCCOc2ccc(ON=S(C)(=O)O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.052027564
43340,CSc1cccc2c1CCC(CNCOc1ccc(OCCF)cc1C)C2,[*]CCOc1ccc(O[*])c([*])c1,0.4060143
43341,Cc1cc(OCCN2CCC(Cc3ccc4ccc(N)cc4c3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.50868547
43342,Cc1cc(OCCNS(C)(=O)=O)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06644172
43343,Cc1ccc(C(=O)NCCN2CCN(S(=O)(=O)O)CC2)cc1-c1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2657942
43344,Cc1csc(C(=O)NC2CCN(CCOc3ccc(OBr)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4161693
43345,N#Cc1ccc(Cc2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67874384
43346,O=C(NCCCCN1CCN(Cc2cccc(Cl)c2)CC1)C1CCCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65251434
43347,O=C(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1ccc(Cl)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.47615173
43348,O=c1cc2ccccc2cn1-c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69901544
43349,Oc1cccc2c1CN1CCc3cc(CCN4CCCCC4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5615581
43350,C=CCc1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76528776
43351,CCC(=O)Nc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.25711995
43352,CCCOc1ccc(OF)c(C2CC(Cc3ccc(F)cc3)CCN2C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26910925
43353,CCCOc1ccc(ON2CCC(c3ccccc3)CC2)c(N=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27945638
43354,CCCOc1ccc(ON2CCN(Cc3ccccc3OC)CC2)c(N)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6311293
43355,CCCOc1ccc(OS(=O)(=O)NC)c(CN2CCC(c3ccc(CC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40837482
43356,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(COc3ccc4c(c3)NC(=O)CC4)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31269214
43357,CCCOc1ccc(OS(N)(=O)=NCOc2ccccc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06361076
43358,CCOCCCN1CCN(Cc2cccc(-c3cc4cc(OC)ccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.52145576
43359,CCOc1cc2c(cc1O)C1Cc3cccc(CNC(C)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49341115
43360,CCOc1cc2c(cc1OC)CCN1Cc3c(Cc4ccc(CO)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53738445
43361,CCOc1ccccc1NCc1cc(OCCSC)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.086603485
43362,COC(=O)C1Cc2ccccc2CN1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5961842
43363,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccc(F)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.43066216
43364,COCSOc1ccc(OCCN2CCC(Cc3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.57582337
43365,CON1CCN(CCNC(=O)c2ccc(C)c(-c3ccccc3OCc3ccccc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3071061
43366,COc1cc2c(cc1O)C1Cc3cccc(C(=O)OCCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56429887
43367,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccccc4F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7537281
43368,COc1ccc(C(=O)NCCN2CCN(c3cccc(Cl)c3OC)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.76857555
43369,COc1ccc(N=Cc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76086575
43370,COc1ccc(OC)c(NC2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73471737
43371,COc1ccc(OCCC2CCN(CCc3ccc(F)cc3)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.6599614
43372,COc1ccc(OCCCOc2ccc(F)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.15085532
43373,COc1ccc(OCCF)cc1CNCC1CCc2c(cccc2S(C)(=O)=O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.4480664
43374,COc1ccc(OCCF)cc1NC(=O)C1CCCN(Cc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.22546807
43375,COc1ccc(OCCN2CCC(c3ccccc3OC3CCC3)CC2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6431414
43376,COc1ccc(OCCN2CCCCC2S(=O)c2ccccc2F)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.31143206
43377,COc1ccc(OCCN=O)cc1CN1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.58381426
43378,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(Cc2ccc(SC)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.21805291
43379,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(S(=O)(=O)c2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.21955942
43380,COc1cccc(C=Cc2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6795738
43381,COc1cccc(CN2CCN(CCCN3CC(C)Cc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6679353
43382,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc4c(c3)Cc3ccccc3-4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.92970216
43383,COc1ccccc1N1CCN(CCOc2ccc(OO)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.78053796
43384,CSc1ccc(C2CN(C=O)CCN2COc2ccc(OCCF)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.23145846
43385,Cc1cc(OCCCl)ccc1ONCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.14492315
43386,Cc1cc(OCCN)ccc1ONC(=O)c1ccccc1S(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.043104284
43387,Cc1cc(OCCN2CCCC(Oc3ccc(C4CCCCC4)cc3)C2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.4173242
43388,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(c2ccc(CC(F)(F)F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.15160252
43389,ClCCCN1CCN(Cc2cccc(-c3ccc(Cl)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.716764
43390,FCCCN1CCN(Cc2cccc(Cc3ccc4c(c3)OCO4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55140704
43391,N#CC1CCN(CCN2CCN(c3ccccc3-c3ccc(O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84195393
43392,O=C(Cc1cccc(CN2CCN(CCCF)CC2)c1)NC1CCCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5144161
43393,O=C(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1ccccn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.46286738
43394,OC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccccc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76791686
43395,CCCOc1ccc(OC)c(N2CCN(C(=O)c3cccc(OC)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07621007
43396,CCCOc1ccc(OCN2c3ccccc3CCC2C)c(OC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17594193
43397,CCCOc1ccc(OF)c(NCC2Cc3ccccc3CC2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34239927
43398,CCCOc1ccc(ON)c(N2CCC(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39519593
43399,CCCOc1ccc(ONC(=O)OCC)c(CCOc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.02696183
43400,CCCOc1ccc(ONS(C)(=O)=O)c(CN2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.52213454
43401,CCCOc1ccc(OS(C)(=O)=O)c(CCCc2ccc(OC3CCCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18103366
43402,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(CC3CCCCC3)=CC=C3C=CC(CC2)O3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23511185
43403,CCCOc1ccc(O[N+](=O)[O-])c(CN2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5219882
43404,CCCc1cc2c(cc1OS(=O)(=O)C(F)(F)F)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71714795
43405,CCOc1ccccc1N1CCN(Cc2cc(OCCF)ccc2OOC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8960812
43406,COOc1ccc(OCCN2CCC(Oc3ccc(CCCF)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5252533
43407,COc1cc2c(cc1Cl)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6867676
43408,COc1cc2c(cc1OC)C1Cc3cccc(NC(C)CO)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50269526
43409,COc1cc2c(cc1OCc1cccc(C#N)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6313006
43410,COc1cc2c(cc1SCc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60964847
43411,COc1ccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2C)s1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.20783107
43412,COc1ccc(OCCN2CCC(c3ccccc3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6595163
43413,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23737714
43414,COc1cccc(CN2CCN(CCCC(=O)NC3CCCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4552313
43415,COc1cccc2c1CN1CCc3cc(CNc4cccc5ccccc45)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45092556
43416,COc1ccccc1N1CCN(CCCOc2ccc(OCS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8227233
43417,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cn4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8336853
43418,COc1ccccc1N1CCN(CCN2CCC(c3cc4cccc(OC)c4o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8432222
43419,CSc1ccc(OC2CCN(COc3ccc(OCCS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.3041299
43420,C[N+](=O)c1cccc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6237394
43421,Cc1cc(OCCN2CCC(Cc3ccc4ccccc4c3)C2)ccc1OS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.4202562
43422,Cc1cc(OCCN2CCC(NS(=O)(=O)c3cccc(Cl)c3)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.67547786
43423,Cc1cc(OCCN2CNC(=O)C23CCCCC3)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09030706
43424,Cc1cc(OCCNC(=O)CCc2ccc3c(c2)NC(=O)CC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.03706793
43425,Cc1cc(OCCNC(=O)COc2ccc(F)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.011053924
43426,Cc1cc(OCCNC(=O)c2ccc(F)c(NC=O)c2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.028886545
43427,Cc1cc(OCCSCc2ccc(OCCF)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.03253675
43428,Cc1ccc(C(=O)NCCN2CCN(C)CC2)cc1C(=O)c1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2678863
43429,Cc1ccc(OCC(=O)NCCOc2ccc(ON(C)C)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.013764581
43430,Cc1cccc(CN2CCN(CCCCc3cc(-c4ccccc4)no3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6859455
43431,Cc1ccccc1-c1cc(C(=O)NCCN2CCN(Cl)CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27481666
43432,ClC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4cccnc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74072886
43433,Fc1cccc(CN2CCN(CCCC3CCc4ccccc4O3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7094348
43434,N#CC1CCN(CCN2CCN(c3ccccc3-c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87113714
43435,N#Cc1ccc(Cc2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6987372
43436,N#Cc1ccc(OCc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6728551
43437,O=[N+](F)c1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57929265
43438,O=[N+]([O-])c1ccccc1N1CCN(CCN2CCC(c3nc4ccccc4s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.54236025
43439,O=c1c(-c2cccc(CN3CCN(CCCF)CC3)c2)cccc2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6449043
43440,Oc1cc2c(cc1C1CC1O)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7286528
43441,CC(C)c1ccccc1N1CCN(CCN2CCC(n3ccnc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7349091
43442,CC1Cc2ccccc2N1C(=O)CCCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6890667
43443,CCCOc1ccc(OC(C)N=S(C)(=O)O)c(NC2CCc3cc(OCC)c(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33319753
43444,CCCOc1ccc(OC)c(CC(C)Cc2ccc3ccccc3c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13267733
43445,CCCOc1ccc(OCN=S(C)(=O)O)c(NCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07194145
43446,CCCOc1ccc(ON)c(N2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40085703
43447,CCCOc1ccc(ONC(=O)c2ccc(F)cc2)c(CN2CCC(C(=O)OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3327117
43448,CCCOc1ccc(ONS(=O)(=O)c2ccc(C(C)C)cc2)c(NC2CCCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1252156
43449,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(C=Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26704767
43450,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)COc2ccc(CCC)cn2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03714815
43451,CCCOc1ccc(OSC)c(N2CCN(c3ccc(C(C)C)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2652359
43452,CCNC(C)CNC(=O)c1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53186834
43453,CCOc1ccccc1C(=O)C1CCN(CCOc2ccc(OC)c(SC)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5751509
43454,CCOc1ccccc1N1CCCN(c2cc(OCCO)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.26452747
43455,COC(=O)c1cc2c(cc1OCc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47545895
43456,COC1CCN(CCN2CCN(c3ccccc3OC(=O)c3cc4ccccc4[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.720505
43457,COCCCN1CCN(Cc2cccc(-c3ccc4ccc(-c5cccs5)ccc3-4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.47465748
43458,COCCCN1CCN(Cc2cccc(C3Nc4ccc(F)cc4C(=O)N3c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5946471
43459,COCCOc1ccc(OCNC(=O)c2c(OC)cccc2N2CCN(C)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27753633
43460,COOc1ccc(OCCN2CCC(Cc3ccc4ccc(OC)cc4c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.4550598
43461,COc1cc2c(cc1CF)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8628977
43462,COc1cc2c(cc1O)C1Cc3cccc(CC(=O)N(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59044117
43463,COc1cc2c(cc1O)C1Cc3cccc(CNC(C)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5432496
43464,COc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c(OC)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7211379
43465,COc1ccc(C(=O)NCCN2CCN(COc3ccccc3OC)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2562734
43466,COc1ccc(OCCN2CCN(CC(=O)N3c4ccccc4CC3C)CC2)cc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.63743407
43467,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCC(Oc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.21974057
43468,COc1ccc(OCCNS(=O)(=O)c2cccc(F)c2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.10461232
43469,COc1ccc(OCCNS(C)(=O)=O)cc1CNCCC1Oc2ccc3c(c2)CCC(=O)N3C1C,[*]CCOc1ccc(O[*])c([*])c1,0.2052876
43470,COc1cccc(CN2CCN(CCCc3ccc(C)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62204504
43471,COc1cccc(OCc2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73214436
43472,COc1cccc2c1CN1CCc3cc(OCc4ccccc4)c(CO)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57814556
43473,COc1ccccc1-c1cc(C(=O)NCCN2CCN([N+](=O)[O-])CC2)ccc1F,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31370568
43474,COc1ccccc1C1CCN(CCOc2ccc(OS(N)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6528855
43475,COc1ccccc1N1CCN(CCN2CCC(c3cccnc3-c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78733283
43476,Cc1cc(OCCF)ccc1OCN1CCC(Oc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4753978
43477,Cc1cc(OCCN2CCC(Cc3ccc(OC4CCNCC4)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.52663004
43478,Cc1cc(OCCN2CCC(Cc3ccccc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6095039
43479,Cc1cc(OCCNS(=O)(=O)c2cccc(OCC(F)(F)F)c2)ccc1OC(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.07724301
43480,Cc1oc2ccccc2c1-c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7211969
43481,ClC1CCN(CCN2CCN(c3ccccc3Oc3ccc4ncccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8069717
43482,FC(F)(F)c1cn(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c(-c2ccccc2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70271707
43483,O=C1C(=O)N(c2cccc(CN3CCN(CCCC(F)(F)F)CC3)c2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5766322
43484,C#Cc1ccc(-c2ccc(C(=O)NCCN3CCN(OC)CC3)cc2OC)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.23570254
43485,CC(C)(O)c1cccc(CN2CCN(CCCc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69135165
43486,CCCOc1ccc(OCC)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8474024
43487,CCCOc1ccc(OCCNC(=O)c2ccc(F)cc2)c(C(=O)Nc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.033101343
43488,CCCOc1ccc(OCCOc2ccccc2)c(CN2CCN(C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6008675
43489,CCCOc1ccc(OCN)c(C2CCN(CCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6999199
43490,CCCOc1ccc(OCN2CCCC(Oc3ccc(SC)cc3)C2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.49639505
43491,CCCOc1ccc(ON2C=CN(C(C)=O)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10368724
43492,CCCOc1ccc(ON2CCN(c3ccccc3OC)CC2)c(NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36325616
43493,CCCOc1ccc(OS(C)(=O)=O)c(-c2ccc(NC(C)=O)c(OC)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.022211097
43494,CCCOc1ccc(OSC)c(N2CCC(N)(c3ccc(Cl)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31235892
43495,CCCc1cc2c(cc1CO)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5820439
43496,CCc1ccccc1N1CCN(CCN2CCC(n3c(O)cc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6250461
43497,CN(C)C(=O)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57719773
43498,COC(=O)NCc1ccc(Cc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44154984
43499,COC1CCN(CCN2CCN(c3ccccc3OCc3ccc4cccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8488914
43500,COCCCN1CCN(Cc2cccc(CSc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4904085
43501,COc1cc2c(cc1O)C1Cc3cccc(C(=O)O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62858605
43502,COc1cc2c(cc1O)C1Cc3cccc(C(C)(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8419061
43503,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc5cccc(OC)c5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59355056
43504,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc(OCc5ccccc5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6364626
43505,COc1ccc(C(=O)NCCN2CCN(C#N)CC2)cc1-c1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3663473
43506,COc1ccc(CNC(=O)c2cc3c(cc2OC)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.550346
43507,COc1ccc(OCCCCSc2ccc(F)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10066594
43508,COc1ccc(OCCF)cc1CN1CCC(S(=O)(=O)c2ccccc2C=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.48773682
43509,COc1ccc(OCCNC(=O)Cc2cccs2)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5618843
43510,COc1ccc(OCCS(=O)(=O)Cc2ccc(SC)cc2)cc1CN(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.057592757
43511,COc1ccc(Oc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c(OC)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7962987
43512,COc1ccc2c(c1)OC(CNc1ccccc1N1CCN(CCN3CCC(Cl)CC3)CC1)CC2,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4307838
43513,COc1cccc(-c2cc3c(cc2O)CCN2Cc4c(O)cccc4CC32)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7438154
43514,COc1cccc(CN2CCN(CCCNS(=O)(=O)c3cc4ccccc4cc3OC)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.42662036
43515,COc1cccc(COc2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6419445
43516,COc1cccc2c1CN1CCc3cc(-c4ccc5c(N(C)C)cccc5c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6809001
43517,COc1cccc2c1CN1CCc3cc(C(C)=Cc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6470074
43518,COc1ccccc1COc1cc2c(cc1O)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6468936
43519,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc4ncccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7537749
43520,COc1ccccc1N1CCN(CCN2CCC(NC(=O)Oc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85333824
43521,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cccc4ccnn34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.86591774
43522,COc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3cc(Cl)ccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8515247
43523,COc1ccccc1N1CCN(CCN2CCC(Nc3ncccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81255364
43524,COc1ccccc1N1CCN(CCN2CCC(c3ccc(N)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.826264
43525,Cc1cc(OCCF)ccc1OCN1Cc2ccccc2CC(C)C1,[*]CCOc1ccc(O[*])c([*])c1,0.40679666
43526,Cc1cc(OCCF)ccc1ONS(=O)(=O)Cc1ccc(OC(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.04515691
43527,Cc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73968625
43528,Cc1cccc(CN2CCN(CCCC3=CC(=O)CO3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6052144
43529,O=S(=O)(NCc1cccc(CN2CCN(CCCF)CC2)c1)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55835754
43530,O=S1(=O)Cc2ccccc2N1c1cccc(CN2CCN(CCCOC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6987243
43531,O=c1ccc2cc(Oc3cccc(CN4CCN(CCCCl)CC4)c3)ccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6428714
43532,CC(=O)NCOc1ccc(OCCCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.57054067
43533,CC(=O)c1ccccc1OC1CCN(Oc2ccc(OCCS(C)(=O)=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.09903647
43534,CC(C)(C)OC1CCN(CCN2CCN(c3ccccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7348125
43535,CCCOc1ccc(OC(C)COc2ccccc2)c(C(=O)NCC2CCCN2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22438161
43536,CCCOc1ccc(OF)c(CN2CCN(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.086012565
43537,CCCOc1ccc(OOC)c(N2CCCN(c3ccccc3Cl)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32750747
43538,CCCOc1ccc(OS(N)(=O)=O)c(CCCc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1559301
43539,CCOCCCOc1ccc(OC)c(NS(=O)(=O)c2ccccc2C(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08319348
43540,CCOc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73106223
43541,CCc1cc2c(cc1Cc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.581356
43542,CCc1cccc2c1CN1CCc3cc(OC)c(OCc4ccc(CO)cc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6500552
43543,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(-n4cccc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8199045
43544,COC1CCN(CCN2CCN(c3ccccc3-c3ccccc3-c3ccc(O)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70630413
43545,COC1CCN(CCN2CCN(c3ccccc3C3C=Cc4ccccc4N=C3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5897224
43546,COCCCN1CCN(Cc2cccc(N3SCc4ccccc4C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6279847
43547,COCc1ccccc1-c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5672502
43548,COc1cc2c(cc1-c1ccc(-c3ccccc3)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6841375
43549,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3ccc4cccc(C)c4c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6697862
43550,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc(OCCF)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65372276
43551,COc1cc2c(cc1Sc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6839002
43552,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccc(O)[s+]1[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.210132
43553,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccccc1OC(C)C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33823138
43554,COc1ccc(CSOc2ccc(OCCNC(=O)OC3CCCCC3)cc2C)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.038522195
43555,COc1ccc(OCCC2(F)CCCC(Cc3ccc4c(c3)CCC(=O)N4)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.18687765
43556,COc1ccc(OCCCCc2ccc3c(c2)NC(=O)CC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2902451
43557,COc1ccc(OCCN)cc1NCCc1cccc2ccccc12,[*]CCOc1ccc(O[*])c([*])c1,0.121969774
43558,COc1ccc(OCCNC(=O)c2cc3ccccc3s2)cc1CN1CCN(c2cccc(Cl)c2Cl)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.75300694
43559,COc1ccc(OCCS(C)(=O)=O)cc1Cn1ccc(C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.074161075
43560,COc1ccc(OCCSC)cc1CNS(=O)(=O)c1cccc(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08062725
43561,COc1ccc(Oc2cccc3c2CN2CCc4cc(Cc5ccccc5)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.756071
43562,COc1ccc2c(c1)CC(CNCCOc1ccc(ON)c(C)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.34458935
43563,COc1cccc(CN2CCN(CCCC3Cc4ccccc4N3C(=O)C=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68681127
43564,COc1cccc(CNc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.37671694
43565,Cc1cc(OCCF)ccc1ONC(=O)c1ccc(N2CCN(C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.19671284
43566,Cc1cc(OCCN2CCC(OC(=O)c3ccc(F)cc3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.41109607
43567,Cc1cc(OCCN2CCCC(CCc3ccc(F)cc3)C2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.43475372
43568,Cc1cc(OCCN2CCCC(Oc3ccccc3)C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.37064245
43569,Cc1ccccc1N1CCN(CCN2CCC(c3cccc(NC(=O)C4CCCC4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.45572466
43570,Cc1cccn(-c2cccc(CN3CCN(CCCCl)CC3)c2)c1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54377896
43571,O=C1Cc2ccccc2N1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.78683734
43572,O=[N+]([O-])C1CCN(CCN2CCN(c3ccccc3-c3c[nH]c4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.58994764
43573,Oc1ccc(-c2cccc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)n2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78316367
43574,Oc1ccccc1N1CCN(CCN2CCC(n3cccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.671017
43575,C#Cc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8250552
43576,CC(=O)N(C)Cc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5118927
43577,CC=S(O)(O)=Nc1cc2c(cc1Cl)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6981819
43578,CCCOc1ccc(OF)c(NC(=O)c2ccc(CCN3CCN(C)CC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19541371
43579,CCCOc1ccc(ONS(=O)(=O)[O-])c(NCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.039312437
43580,CCCOc1ccc(ONS(C)(=O)=O)c(CCCc2ccc(F)nc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09359345
43581,CCc1ccc(C2CCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.60862756
43582,CN1C(=O)N(c2ccccc2)C(CCCN2CCN(Cc3cccc(Cl)c3)CC2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.52379644
43583,COC(=O)C1(c2cccc(CN3CCN(CCCCl)CC3)c2)CCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.52760553
43584,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccccc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.825406
43585,COCCOc1ccc(OCCCn2ccc(C(F)(F)F)c2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11713164
43586,CON1CCN(CCNC(=O)c2ccc(Br)c(-c3ccc([N+](=O)[O-])cc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.19316892
43587,COOc1ccc(OCCC(O)CCc2ccc3c(c2)CC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.15802035
43588,COOc1ccc(OCCCOc2ccc(F)cc2)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8084952
43589,COc1cc2c(cc1C[N+](=O)c1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5921664
43590,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccncc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7538184
43591,COc1cc2c(cc1O)C1Cc3cccc([N+](C(C)=O)c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55075026
43592,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3c(C)cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60318786
43593,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3ccccc3C)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71573144
43594,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc(N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67537206
43595,COc1ccc(OCCCNC(=O)c2ccc(F)cc2)cc1NC=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.042178307
43596,COc1ccc(OCCN2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16714902
43597,COc1ccc(OCCN2CCN(c3cccc(OCC(F)(F)F)c3)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.7416893
43598,COc1ccc(OCCN=S(C)(=O)O)cc1C(C)CCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.18099615
43599,COc1ccc(OCCNC(C)=O)cc1CNCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.033524908
43600,COc1ccc(OCCNCc2ccco2)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.12479241
43601,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCc2cccc(CCC3CCC3)c2CC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.3489991
43602,COc1ccc(OCCNS(C)(=O)=O)cc1NC(=O)C1c2cc(CC3CCCCC3)ccc2CCC1O,[*]CCOc1ccc(O[*])c([*])c1,0.12105685
43603,COc1cccc(CN2CCN(CCCCc3ccc4cccccc3-4)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7159861
43604,COc1cccc(OC)c1C(=O)NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82862353
43605,COc1ccccc1N1CCN(CCN2CCC(c3cnn(-c4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7742666
43606,COc1ccccc1N1CCN(c2cc(OCCC=S(C)O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.316439
43607,Cc1cc(OCCF)ccc1ON1CCCC(NS(=O)(=O)c2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.216679
43608,Cc1cc(OCCN2CCC(Cc3ccc(F)cc3)CC2=O)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.26855683
43609,Cc1cc(OCCN=S(C)(=O)O)ccc1OCN1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31910947
43610,Cc1cccc2c1CN1CCc3cc(-c4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.561862
43611,Cc1cccc2c1CN1CCc3cc(-c4cccs4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62309724
43612,Cc1cccc2c1CN1CCc3cc(O)c(Cc4ccc(CO)cc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48031178
43613,Cc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6659104
43614,Cc1cccn(CCCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5215441
43615,ClCCCN1CCN(Cc2cccc(-c3ccc(-c4ccccc4)o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60266507
43616,Nc1cccc2c1CN1CCc3cc(CO)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72759193
43617,OCc1cc2c(cc1-c1ccc[nH]1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.675361
43618,Oc1cccc2c1CN1CCc3cc(C#Cc4ccccc4)c(Oc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69903225
43619,Oc1cccc2c1CN1CCc3cc(CC4CC4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7377517
43620,CC(=O)c1ccccc1N1CCN(CCN2CCC(c3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5927213
43621,CC(C)(C)OC(=O)NCc1ccc(-c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44641182
43622,CCCC(=O)c1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57538515
43623,CCCNCc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66539633
43624,CCCOc1ccc(OC(=O)NC)c(N2CCCC(Cc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12541993
43625,CCCOc1ccc(OF)c(CN2CCC(C(=O)c3ccc(OC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.41701278
43626,CCCOc1ccc(OF)c(CN2CCN(c3ccc(C(C)C)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.58601046
43627,CCCOc1ccc(ONS(C)(=O)=O)c(CCOc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1132854
43628,CCCOc1ccc(ONS(C)(=O)=O)c(NC(C)COc2ccc3c(c2)CCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19273068
43629,CCCOc1ccc(OOC)c(C2CCN(c3cccc(C(F)(F)F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38355365
43630,CCOC1CCN(CCN2CCN(c3ccccc3-c3ncc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7947966
43631,CCc1cc(OCCS(C)(=O)=O)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.09013943
43632,COCCOc1ccc(OC)c(CN2CCN(Cc3cccc(F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4500805
43633,COCCOc1ccc(OCN2CCC(c3ccccc3C)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.44224566
43634,CON1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(-c3ccc(C)cc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.13235202
43635,COc1cc2c(cc1OC(C)c1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74486417
43636,COc1ccc(C(=O)NCCN2CCN(C(=O)c3ccccc3OC)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.19560343
43637,COc1ccc(OCCC=O)cc1N1CCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27666372
43638,COc1ccc(OCCCNS(=O)(=O)c2ccc(F)cc2)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.073923595
43639,COc1ccc(OCCN2CCC(c3ccc(S(C)(=O)=O)cc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.6714573
43640,COc1ccc(OCCN2CCC(c3ccccc3C)CC2)cc1O,[*]CCOc1ccc(O[*])c([*])c1,0.5289527
43641,COc1ccc(OCCN2CCN(c3ccc(C(C)=O)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.59488374
43642,COc1ccc(OCCN=S(C)(=O)O)cc1C=S1(=O)C(=O)CCc2ccc(CCC3CCCC3)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.21216574
43643,COc1ccc(OCCNS(C)(=O)=O)cc1CCOc1ccc2c(c1)NC(=O)CCC2,[*]CCOc1ccc(O[*])c([*])c1,0.19883586
43644,COc1ccc(OCCNS(C)=O)cc1N1CCC(Oc2ccc(C(C)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19088903
43645,COc1ccc2c(C(=O)Nc3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)ccnc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.3899816
43646,COc1cccc(-c2ccccc2N2CCN(CCN3CCC(C(C)C)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85964614
43647,COc1cccc(CC2CCCN(CCOc3ccc(OSC)c(C)c3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5340336
43648,COc1cccc(CN2CCN(CCCCCc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.83391196
43649,COc1cccc(CNCc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59107965
43650,COc1cccc(Oc2ccc(OCCCN3CCN(c4ccccc4OC)CC3)cc2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8623386
43651,COc1cccc2c1CN1CCc3cc(OCc4ccccc4)c(Oc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7312277
43652,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8081813
43653,COc1ccccc1N1CCN(CCN2CCC(CCc3cc(O)nc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72845805
43654,COc1ccccc1N1CCN(COc2ccc(OCCCO)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.66113174
43655,Cc1cc(OCCCN2CCC(Cc3ccc(F)cc3)CC2)ccc1ON=S(=O)(O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5941464
43656,Cc1cc(OCCF)ccc1ON1CCC(NS(=O)(=O)c2ccc(C(C)C)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.24761067
43657,Cc1cc(OCCN2CCC(c3ccc(F)cc3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.7449874
43658,Cc1cc(OCCN2CCN(CC=Cc3ccccc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.45208797
43659,Cc1ccc(OC2CCN(CCCOc3ccc(ON)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.54704326
43660,FC(F)(F)OCCCN1CCN(Cc2cccc(-c3cc(-c4ccccc4)co3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57722235
43661,FCCCN1CCN(Cc2cccc(-c3cccc4cccnc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6389567
43662,FCCCN1CCN(Cc2cccc(Cc3cccc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66013265
43663,O=C(c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)c1c[nH]c2ccccc12,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5094593
43664,CC(=O)Nc1cccc(CN2CCN(CCCCOc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.33510792
43665,CCC(=O)c1cccc2c1CN1CCc3cc(OC)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44581926
43666,CCCCc1ccc(Oc2cc(OCCC)ccc2OS(C)(=O)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.069284
43667,CCCOc1ccc(OCN2CCC(c3ccc(F)cc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6132611
43668,CCCOc1ccc(OCn2cccc2)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7558095
43669,CCCOc1ccc(ON)c(N2CCN(c3ccccc3C(F)(F)F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33426312
43670,CCCOc1ccc(OS(C)(=O)=O)c(C2CCC(COc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34683457
43671,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3ccc(CC(C)=O)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14450209
43672,CCOc1ccccc1NCCCOc1ccc(OOS(C)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06983922
43673,CCc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccccc4)ccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7779251
43674,COC1CCN(CCN2CCN(c3ccccc3-c3nccc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76826227
43675,COCCCN1CCN(Cc2cccc(-c3cc(C4CCCCC4)no3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4342984
43676,COCCOc1ccc(OC)c(N2CCN(c3ccc(C)cn3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2614785
43677,COOc1ccc(OCCCCOc2ccc(F)cc2)cc1CN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.30153304
43678,COOc1ccc(OCCNS(=O)(=O)c2ccc(F)c(F)c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.0374763
43679,COc1cc2c(cc1C#Cc1cccc(C)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6765117
43680,COc1cc2c(cc1O)CCN1Cc3c(cccc3Oc3ccc(CO)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7606638
43681,COc1ccc(OCCC(=O)CCc2ccccc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.040125314
43682,COc1ccc(OCCC(C)=O)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.035870895
43683,COc1ccc(OCCCF)cc1CNC(=O)c1c(OC)cccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.028148564
43684,COc1ccc(OCCCN=O)cc1N1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.26478878
43685,COc1ccc(OCCF)cc1S(=O)(=O)Cc1cccc(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.119057804
43686,COc1ccc(OCCN2CCCC(Cc3ccc4ccccc4c3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.41513178
43687,COc1ccc(OCCN2CCN(Cc3ccc(F)cc3)CC2)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.40439558
43688,COc1ccc(OCCN2CCN(c3ccccc3OC)CC2)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.8004016
43689,COc1ccc(OCCN2CCNC2=O)cc1NS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.13702016
43690,COc1ccc(OCCNC(C)=O)cc1N1CCC(c2ccc(SC)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19543695
43691,COc1ccc(OCCNCc2cccc(S(C)(=O)=O)c2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.1576929
43692,COc1ccc(OCCS(C)(=O)=O)cc1OC1CCc2ccc(OCC3CCCCC3)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.25654194
43693,COc1cccc(CCC2CCCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4089257
43694,COc1cccc(CN2CCN(CCCN(C(C)=O)C3Cc4ccccc4C3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5764693
43695,COc1cccc(NC(=O)c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6288191
43696,COc1ccccc1CN1CCN(Oc2ccc(OCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5548851
43697,CS(=O)(=O)Oc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66859806
43698,Cc1cc(OCCF)ccc1ON1CCC(S(=O)(=O)Nc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21773563
43699,Cc1cc(OCCN2CCC(Cc3ccc4sccc4c3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.56482446
43700,Cc1cc(OCCN2CCC(S(=O)(=O)c3ccccc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.64637625
43701,Cc1cc(OCCNC(=O)COc2ccc(CF)cc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.014775825
43702,Cc1cc(OCCNC(=O)c2ccc(F)cc2)ccc1OOCC1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.053792957
43703,Cc1cc(OCCNS(=O)(=O)c2ccc(C(C)C)cc2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.04070209
43704,Cc1ccccc1N1CCN(CCN2CCC(n3cc(F)ccc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66103745
43705,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)Nc1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.33466485
43706,O=C(NCc1ccc([N+](=O)[O-])cc1)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3723316
43707,O=C(Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2)Nc1ccccc1F,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32173398
43708,Oc1ccc2c(Oc3ccccc3N3CCN(CCN4CCC(O)CC4)CC3)cccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7499825
43709,Oc1nc(Br)cn1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7327185
43710,Oc1ncccc1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76643443
43711,C#Cc1cccc(Cc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63408726
43712,CC(C)c1ccccc1N1CCN(CCN2CCC(n3ccc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6454969
43713,CC1CCN(CCN2CCN(c3ccccc3-c3nc(-c4ccccc4)cs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66113156
43714,CCCOc1ccc(OC)c(C2CCN(S(C)(=O)=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19291642
43715,CCCc1ccc(NOc2ccc(OCCN=S(C)(=O)O)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.044675656
43716,CCCc1ccccc1N1CCN(Cc2cc(OCCOC)ccc2OCF)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.82460773
43717,CCN(Cc1ccccc1)C(=O)c1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6608101
43718,CCc1ccc(-c2cc3c(cc2CO)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58147156
43719,CNS(=O)(=O)Oc1ccc(OCCN2CCC(c3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.54229796
43720,COC(=O)C1CCCCC1c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49886498
43721,COC1CCN(CCN2CCN(c3ccccc3-c3cc(O)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76962346
43722,COCCCN1CCN(Cc2cccc(-c3cc4cccccc-4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61486655
43723,CON1CCN(CCNC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])c(O)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35086027
43724,CON1CCN(CCNC(=O)c2ccc(Br)c(-c3ccccc3Cl)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.36422166
43725,COc1cc2c(cc1O)C1Cc3cccc(CC4=CC=CC=CC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78850746
43726,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(CNC5CCCC5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5746681
43727,COc1cc2c(cc1O)CCN1Cc3c(CCNC(=O)c4cc5ccccc5[nH]4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4981833
43728,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cccc(COc4ccccc4)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6271687
43729,COc1cc2c(cc1O)CCN1Cc3c(cccc3N(C)Cc3ccc(CO)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72375774
43730,COc1cc2c(cc1OC)C1Cc3cccc(OCc4ccc(F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75521326
43731,COc1cc2c(cc1OC)CC(CNOc1ccc(OCCN=S(C)(=O)O)cc1C)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.23105454
43732,COc1ccc(CNC(=O)Nc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.29669622
43733,COc1ccc(OCCC(C)C)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.059944082
43734,COc1ccc(OCCCS(=O)(=O)c2cccc(C(C)C)c2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.083527476
43735,COc1ccc(OCCCS(=O)(=O)c2ccccc2C(C)C)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10259643
43736,COc1ccc(OCCF)cc1N1CCC(NC(=O)c2ccc(SC)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1841739
43737,COc1ccc(OCCNC(=O)Cc2ccc3c(c2)CCC(=O)N3)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07195364
43738,COc1ccc(OCCS(C)=O)cc1N1CCCC(CCc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.26268983
43739,COc1ccc(OCCS(N)(=O)=O)cc1NC1CCC(Oc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.172063
43740,COc1cccc(CN2CCN(CCCCC(=O)N3CCCC3c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54186076
43741,COc1cccc(CNCOc2ccc(OCCF)cc2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08505317
43742,COc1cccc2c1CN1CCc3cc(NC(=O)c4cccc(Cl)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.27750364
43743,COc1cccc2c1CN1CCc3cc(OCc4ccc(Cl)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64272356
43744,CS(=O)(O)=Nc1cccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48968202
43745,CSc1ccc(CC2CCCN(Oc3ccc(OCCOS(C)(=O)=O)cc3C)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.21356307
43746,Cc1cc(OCCCN2CCN(Cc3ccccc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5043103
43747,Cc1cc(OCCF)ccc1OCN1CCC(Oc2ccccc2C=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.42002574
43748,Cc1cc(OCCN2CCC(Oc3ccc(CC4CCCNC4)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.43963498
43749,Cc1cc(OCCN2CCCC(Cc3cccs3)C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.35050625
43750,Cc1cc(OCCNCCc2cccs2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.16190234
43751,Cc1ccc(C2CCN(Oc3ccc(OCCN=S(C)(=O)O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.14760248
43752,O=C(NCc1cccc(F)c1)C1CCN(CCN2CCN(c3ccccc3OC(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7458575
43753,O=C(Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)c1ccc(Cl)cc1Cl,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32348913
43754,O=C(c1ccc(F)cc1)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46335906
43755,CCCCN1CCN(Cc2cccc(C3(C)C(=O)Nc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46767917
43756,CCCOc1ccc(OC)c(N2CCN(C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4893434
43757,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(c3ccc(OCC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19113325
43758,CCCOc1ccc(OSC)c(-c2ccc(C(=O)c3ccc(OC)cc3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0526446
43759,CCCOc1ccc(On2cccc2)c(CN2CCN(C(C)=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12083889
43760,CCCS(=O)(=O)Nc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49375406
43761,CCN(C)C(=O)Cc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5635562
43762,CCc1cc(OCCCN2C=CN(C(C)=O)CC2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.16151197
43763,COC1CCN(CCN2CCN(c3ccccc3-c3ccc4c(c3)CCC(=O)N4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6995423
43764,COCCCN1CCN(Cc2cccc(-c3cnc(-c4ccccc4)o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4970113
43765,COCCCN1CCN(Cc2cccc(N3Cc4c(cccc4OC)NC3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5041323
43766,COCCCN1CCN(Cc2cccc(NC(=O)C3CCCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4007174
43767,COCCOc1ccc(OCN2CCC(C(=O)c3ccccc3OC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3292155
43768,COOc1ccc(OCCF)cc1CN1CCC(Nc2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4488645
43769,COc1cc(C(C)C)ccc1S(=O)(=O)NOc1ccc(OCCF)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.07173512
43770,COc1cc(F)ccc1OCCCCOc1ccc(OOCCN)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13343924
43771,COc1cc2c(cc1CNc1cccc(C#N)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57761073
43772,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(C(=O)OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43554115
43773,COc1ccc(COc2cc3c(cc2C)CCN2Cc4c(cccc4OC)CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6815905
43774,COc1ccc(OCCC(C)Cc2ccccc2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.11364779
43775,COc1ccc(OCCCC(=O)C2=CCc3ccccc3S2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.17189659
43776,COc1ccc(OCCCCNC(=O)c2ccccc2)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7037383
43777,COc1ccc(OCCCNS(C)(=O)=O)cc1CCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.11883914
43778,COc1ccc(OCCCl)cc1CN1CCN(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.68282825
43779,COc1ccc(OCCN2CCN(c3ccccc3OC)CC2)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.78789455
43780,COc1ccc(OCCN=S(C)(=O)O)cc1Cc1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.05174248
43781,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCC(Cc2ccc(OC3CCCCC3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.14390051
43782,COc1ccc(OCCNCCc2ccc3c(c2)CCC(=O)N3)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.15298505
43783,COc1cccc(CN2CCN(CCCCNC(=O)c3cccc4c3-c3ccccc3C4)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6038496
43784,COc1cccc(CN2CCN(CCCc3ccc4cc(C(N)=O)oc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46778753
43785,COc1cccc2c1CN1CCc3cc(CNC(=O)NCc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42389736
43786,COc1cccc2c1CN1CCc3cc(N(C)OCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58296835
43787,COc1ccccc1-c1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6839529
43788,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(O[N+](=O)[O-])CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2720436
43789,CSOc1ccc(OCCN2CCC(NS(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5283119
43790,CSOc1ccc(OCCNCCC2CCC(=O)Nc3cc(ccc3C)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.1906116
43791,Cc1cc(OCCN2CCC(c3ccc(OS(C)(=O)=O)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6215613
43792,Cc1cc(OCCNS(C)(=O)=O)ccc1OCN1CCC(C(N)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23689127
43793,Cc1ccc(S(=O)(=O)NOc2ccc(OCCNC(=O)COc3ccccc3)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.01789196
43794,Cc1ccccc1N1CCN(CCN2CCC(n3ccc(-c4ccc(F)cc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64564043
43795,O=C(Nc1c(Cl)cccc1Cl)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49640656
43796,O=C1c2ccccc2CN1CCCN1CCN(Cc2cccc(O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6995906
43797,O=CC1CCN(CCN2CCN(c3ccccc3-n3c(O)cc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7168626
43798,Oc1c2ccccc2cn1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.716592
43799,Oc1ccccc1C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8476825
43800,Oc1ccccc1N1CCN(CCN2CCC(Cc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7255501
43801,BrC1CCN(CCN2CCN(c3ccccc3-c3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80232877
43802,CC(=O)NCCCN1CCN(Cc2cccc(-c3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3866126
43803,CCCCc1cccc(OC)c1CCOc1ccc(OC)c(N2CCC(=O)NC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23816444
43804,CCCOc1ccc(OCCO)c(N2CCCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26770708
43805,CCOc1cc2c(cc1OC)CCN1Cc3c(cccc3CN(C)C)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68102515
43806,CCS(=O)(=O)c1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6420673
43807,COC(=O)NCc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49131078
43808,COC(=O)c1cccc(C2CCN(CCOc3ccc(ON=S(C)(=O)O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5151921
43809,COCCCN1CCN(Cc2cccc(CNC(=O)C3CCCCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.50710285
43810,COCCOc1ccc(OCF)c(CCN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.84083134
43811,CON1CCN(CCNC(=O)c2ccc(Cl)c(-c3ccc([N+](=O)[O-])cc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.16275653
43812,COOc1ccc(OCCc2ccc(F)cc2)cc1CCOc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.20675422
43813,COc1cc(C(=O)NCCN2CCN(Cc3ccccc3OC)CC2)ccc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33353323
43814,COc1cc2c(cc1O)C1Cc3cccc(-n4ccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71876794
43815,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77538455
43816,COc1cc2c(cc1O)CCN1Cc3c(cccc3OC(=O)Nc3ccnc4ccccc34)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36651665
43817,COc1cc2c(cc1OC)C1Cc3cccc(CC4CC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.85412365
43818,COc1cc2c(cc1OCc1c[nH]c3ccccc13)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65928084
43819,COc1ccc(-c2nc(O)ccc2-c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6420852
43820,COc1ccc(OCCC=Cc2ccc(C=O)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.07112527
43821,COc1ccc(OCCC=O)cc1N1CCC(C(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2531401
43822,COc1ccc(OCCN2CCN(c3ccc(Cl)cc3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.61815584
43823,COc1ccc(OCCOC2CCCCC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13448884
43824,COc1ccc(OCCS(=O)(=O)O)cc1CCC(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.061743055
43825,COc1ccc(OCCS(N)(=O)=O)cc1N1CCCC(Cc2cccnc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.18923077
43826,COc1cccc(C(=O)NCc2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7600024
43827,COc1cccc(CN2CCN(CCCc3cccc(-c4cccs4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6165381
43828,COc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4cccc(F)c4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8263918
43829,COc1ccccc1N1CCN(CCN2CCC(c3cnc(O)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81387424
43830,COc1ccccc1N1CCN(CCN2CCC(c3nccn3Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7129577
43831,COc1ccccc1N1CCN(CCN2CCC(n3cc(CF)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.90859646
43832,COc1ccccc1N1CCN(CCOc2ccc(OCCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8375416
43833,CSOc1ccc(OCCN2CC=C(Cc3ccc4ccccc4c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.36942533
43834,Cc1cc(OCCC(C)Cc2ccc3c(c2)NC(=O)CC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1821781
43835,Cc1cc(OCCN2CCN(c3ccccc3OCCF)CC2)ccc1OC=O,[*]CCOc1ccc(O[*])c([*])c1,0.78978133
43836,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(Cc2ccc(S(C)(=O)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.109874286
43837,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)CCOC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.04180455
43838,Cc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccccc4)ccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7303163
43839,Cc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccccc4)on3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.56520706
43840,Cc1cn(-c2ccccc2N2CCN(CCN3CCC(C)CC3)CC2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7095134
43841,ClC1CCN(CCN2CCN(c3ccccc3-c3ccc(Br)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78968805
43842,Fc1ccc(OCCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6687715
43843,O=C(NCC1CCN(CCN2CCN(c3ccccc3O)CC2)CC1)c1ccc2ccccc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7584855
43844,O=[N+]([O-])C1CCN(CCN2CCN(c3ccccc3Oc3ccc4ccc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7241775
43845,OC1(c2cccc(CN3CCN(CCCc4ccccc4)CC3)c2)CCCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69191283
43846,Oc1cc2c(cc1Cc1ccc(-c3ccccc3)nc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59897685
43847,CC(=O)Nc1ccc(C2CCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.34496012
43848,CC(C)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7609928
43849,CC(C)c1ccccc1N1CCN(CCN2CCC(c3ccc(C(F)(F)F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76964873
43850,CC1Cc2ccccc2C(=O)N1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.73904604
43851,CC=Cc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7762008
43852,CCC(C)c1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.83340687
43853,CCCCc1ccc(-c2cc(OCCc3ccc(F)cc3)ccc2OOC)cn1,[*]CCOc1ccc(O[*])c([*])c1,0.057142165
43854,CCCOc1ccc(OC)c(NS(=O)(=O)c2cccc(C(C)C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.076129034
43855,CCCOc1ccc(OCC(=O)c2ccc(F)cc2)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5330992
43856,CCCOc1ccc(OCCc2ccccc2OC)c(CNCC2CCOc3ccccc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3015452
43857,CCCOc1ccc(ONCCc2ccco2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07650574
43858,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(COc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35901898
43859,CCCOc1ccc(OOC)c(N2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40959802
43860,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Oc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33206093
43861,COCCCN1CCN(Cc2cccc(-c3ccccc3C(=O)OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3612975
43862,COOc1ccc(OCCNCCc2cccnc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.16616829
43863,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1cccc2nc(O)oc12,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.23076907
43864,COc1cc2c(cc1O)C1Cc3cccc(C(N)C=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6866756
43865,COc1cc2c(cc1O)CCN1Cc3c(CCc4ccc(C)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6542339
43866,COc1cc2c(cc1O)CCN1Cc3c(COc4ccc5ccccc5c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79953444
43867,COc1cc2c(cc1OC)C1Cc3cccc(-c4cccc(OC(C)=O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46240228
43868,COc1cc2c(cc1OCc1ccc(C)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6332468
43869,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(-c4ccc(C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53921765
43870,COc1ccc(OCCN2CCC(S(C)(=O)=O)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.55661684
43871,COc1ccc(OCCN2CCCC(Cc3ccco3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.29778394
43872,COc1ccc(OCCN2CCOC(CCc3ccccc3)C2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.5433298
43873,COc1ccc(OCCN=S(C)(=O)O)cc1CNC(=O)Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.015711248
43874,COc1ccc(OCCNC(C)Cc2ccc3c(c2)CCC(=O)N3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.18342762
43875,COc1ccc(OCCNC2CCC(c3ccccn3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.20069164
43876,COc1ccc(OCCNS(=O)(=O)c2ccc(SC)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.05579988
43877,COc1cccc2c1CN1CCc3cc(-c4c(CO)cccc4OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7508007
43878,COc1ccccc1N1CCN(CCN2CCC(c3csc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8270269
43879,COc1ccccc1N1CCN(CCN2CCC(c3ncc(-c4ccc(F)cc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83931124
43880,COc1ccccc1N1CCN(CCN2CCC(c3nnccc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7926564
43881,Cc1cc(OCCC=Cc2ccc(F)cc2)ccc1OCN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.31592345
43882,Cc1cc(OCCCF)ccc1ONS(=O)(=O)c1cccc(C(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07307389
43883,Cc1cc(OCCN2CC(Cc3ccccc3)CCO2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.17001443
43884,Cc1cc(OCCN2CCC(=O)N(c3ccc(F)cc3)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.36670318
43885,FC(F)(F)c1ccccc1N1CCN(CCN2CCC(c3nccc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7512568
43886,Fc1ccc(CC2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8317915
43887,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)C1CC1c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68314165
43888,O=C(Nc1ccccc1-c1cccc(CN2CCN(CCCF)CC2)c1)C1Cc2ccccc2C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.40069926
43889,O=C(c1cccc(F)c1)C1CCN(CCN2CCN(c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67915964
43890,O=S1(=O)Cc2ccccc2C1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6594522
43891,Oc1ccc2ccc(OC3CCN(CCN4CCN(c5ccccc5OC(F)(F)F)CC4)CC3)cc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7468813
43892,Oc1cccc2c1CN1CCc3cc(OC=Nc4cccc5ccccc45)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6023239
43893,C=CCN1CCC(CCOc2ccc(OC)c(-c3ccc(F)cc3)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5282876
43894,CC(=O)c1cc2c(cc1OCc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5437965
43895,CCCOc1ccc(OC(=O)COc2ccc(CF)cc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.02816801
43896,CCCOc1ccc(OC)c(CNC(=O)c2cc(C(F)(F)F)ccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.019686325
43897,CCCOc1ccc(OCN2CCC(c3ccc(F)cc3)CC2)c(NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.45642734
43898,CCCOc1ccc(ONS(C)(=O)=O)c(C2CCCC(Cc3ccc4c(c3)NC(=O)CC4)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33545843
43899,CCCOc1ccc(OS(C)(=O)=O)c(CNc2ccc(OCCF)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05393587
43900,CCCOc1ccc(OSC)c(CCCc2cccc3c2NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15030031
43901,CCOc1ccccc1N1CCCN(Oc2ccc(OCCC=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24767567
43902,CCSc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.640305
43903,CN=S(=O)(O)CCOc1ccc(OC)c(NCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.057297524
43904,COC1CCN(CCN2CCN(c3ccccc3-c3cc4ccc(O)nc4c4cc(O)ccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5464868
43905,COC1CCN(CCN2CCN(c3ccccc3-c3cn(-c4ccc(F)cc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79607016
43906,COCCCN1CCN(Cc2cccc(-c3c(O)ccc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5561099
43907,COCCOc1ccc(OC)c(CN2CCC(c3ccccc3C(F)(F)F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6107351
43908,COOc1ccc(OCCc2ccc(OC)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.089126565
43909,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1cccc2ccccc12,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32432288
43910,COc1cc(C(=O)NCCN2CCN(c3ccccc3OC(C)=O)CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.7020892
43911,COc1cc2c(cc1-c1c[nH]c3cc(F)ccc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77662545
43912,COc1cc2c(cc1-c1cccc(C=O)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6557688
43913,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cc(Cl)ccc3CO)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6508137
43914,COc1cc2c(cc1O)CCN1Cc3c(cccc3Cn3cccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7179631
43915,COc1cc2c(cc1OC)C1Cc3cccc(CN(C)OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75500953
43916,COc1cc2c(cc1OC)C1Cc3cccc(Oc4ccc(C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7103214
43917,COc1ccc(OCCC(N)=O)cc1CNc1ccncc1CCF,[*]CCOc1ccc(O[*])c([*])c1,0.037745014
43918,COc1ccc(OCCCN=S(C)(=O)O)cc1N1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21807817
43919,COc1ccc(OCCN2CCC(O)(O)C2)cc1CCCC(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.4424355
43920,COc1cccc2c1CN1CCc3cc(CNC=Cc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59897625
43921,COc1cccc2c1CN1CCc3cc(CO)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78401333
43922,COc1cccc2c1CN1CCc3cc(OC(=O)[N+](F)F)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5422039
43923,COc1ccccc1N1CCN(CCCOc2ccc(OC(=O)c3ccccc3)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.772426
43924,COc1ccccc1N1CCN(CCNC(=O)c2ccc(OS(C)(=O)=O)c(O)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.8185942
43925,CSOc1ccc(OCCN2CCC(c3ccc(F)cn3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6679682
43926,Cc1cc(OCCF)ccc1ON1CCC(c2ccccc2S(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29129747
43927,Cc1cc(OCCN2CCC(NS(=O)(=O)c3cccc(Cl)c3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.73880696
43928,Cc1cc(OCCNC(=O)COc2cccc(F)c2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.008643449
43929,Cc1cc(OCCNS(=O)(=O)c2ccccc2C(C)C)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.060471434
43930,Cc1cc(OCCS(N)(=O)=O)ccc1OOCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.11287405
43931,Cc1ccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2C)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.20428866
43932,Cc1cccc(CN2CCN(CCCc3cc(=O)c4ccccc4[nH]3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5391721
43933,FC(F)(F)c1ccc(-c2cccc(CN3CCN(CCCCl)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67623866
43934,N#CCOC1CCN(CCN2CCN(c3ccccc3NCC3CCc4ccc(O)cc4O3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.50863206
43935,O=C1COc2ccccc2N1CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64784265
43936,O=C1c2ccc(CCCN3CCN(Cc4cccc(O)c4)CC3)cc2C(=O)N1c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.616054
43937,Oc1ccccc1N1CCN(CCN2CCC(n3cccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.777996
43938,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3nnc(-c4ccc(F)cc4)n3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77128446
43939,CCC(Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)C(=O)O,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44909087
43940,CCCOc1ccc(CC2CCCN(c3cc(OCCS(C)(=O)=O)ccc3OC)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.20147602
43941,CCCOc1ccc(OOC)c(CNC(=O)c2cc(C)ccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.014449837
43942,CCCOc1ccc(OOC)c(CNC(=O)c2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0349207
43943,CCCOc1ccc(OS(C)(=O)=O)c(CCc2ccc(C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07550959
43944,CCCOc1ccc(OS(C)(=O)=O)c(NCCn2ccc3ccccc3c2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06788575
43945,CCCOc1ccc(O[SH](C)(=O)N=O)c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23517011
43946,CCN(C)CCCOc1ccc(OC)c(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16725735
43947,CCN1C(=O)CCc2ccc(C(=O)NCCOc3ccc(OC)c(SC)c3)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.1337291
43948,CCOc1ccccc1N1CCN(CCN2CCC(NC(=O)C#Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7692488
43949,CCOc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8655108
43950,CN(C)COc1ccc(OCCNS(C)(=O)=O)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10570712
43951,COCCCN1CCN(Cc2cccc(S(=O)(=O)c3ccc(F)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3876994
43952,COCCOc1ccc(OC)c(CC(=O)Nc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0070406366
43953,COCCOc1ccc(OC)c(N2CCCN(c3ccc(C(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30076742
43954,COCCOc1ccc(ON2CCC(c3ccccn3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.283768
43955,COc1cc(-c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c(C)cc1O,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66429865
43956,COc1cc2c(cc1CCNCCOc1ccc(ONS(C)(=O)=O)c(C)c1)CCC(=O)N2,[*]CCOc1ccc(O[*])c([*])c1,0.18780708
43957,COc1cc2c(cc1O)C1Cc3cccc(CC(=O)Nc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.24525136
43958,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(CO)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.712671
43959,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccccc1F,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.340679
43960,COc1ccc(C(=O)NCCN2CCN(c3cccc(OC)c3OC)CC2)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.7536454
43961,COc1ccc(OCCCN2CCC(c3ccccc3OC)CC2)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.7045398
43962,COc1ccc(OCCCS(=O)(=O)c2ccc(F)cc2)cc1SCN(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.0678546
43963,COc1ccc(OCCCS(=O)(=O)c2ccccc2C(C)C)cc1N1CCC(C(=O)O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.15784213
43964,COc1ccc(OCCF)cc1CNC(=O)c1ccccc1N1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.19630729
43965,COc1ccc(OCCF)cc1NC(=O)C1CCN(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.34269637
43966,COc1ccc(OCCF)cc1NS(=O)(=O)C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.03377102
43967,COc1ccc(OCCN2CCN(Cc3cccc4ccc(F)cc34)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.51335186
43968,COc1ccc(OCCNS(C)(=O)=O)cc1CN1CC=CC=C(F)CC(F)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.38840726
43969,COc1ccc2ccc(OCC3CCN(CCN4CCN(c5ccccc5C)CC4)CC3)nc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.59513676
43970,COc1cccc(CN2CCN(CCCN3CCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7742842
43971,COc1cccc(Cc2cc3c(cc2CO)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51992095
43972,COc1ccccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1OC(C)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.36402112
43973,COc1ccccc1C1CCN(CCN2CCN(c3ccccc3OC(C)C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8215735
43974,CSOc1ccc(OCCCOCCc2ccc3c(c2)CC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.22491653
43975,CSc1ccc(Cc2cccc(CN3CCN(CCCCl)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62574154
43976,Cc1cc(OCCN(C)C)ccc1ONS(=O)(=O)Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.10333117
43977,FC(F)(F)CCCN1CCN(Cc2cccc(Sc3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67359555
43978,O=C(NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)c1ccc(O)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.88422143
43979,Oc1cccc2c1CN1CCc3cc(Nc4nccc5ccccc45)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52113503
43980,Oc1nc2c(F)cccc2n1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74409884
43981,CCCNC(=O)Nc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3534562
43982,CCCOc1ccc(OC)c(S(=O)(=O)c2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.108016044
43983,CCCOc1ccc(OCCN2CCC(c3ccccc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7152073
43984,CCCOc1ccc(OF)c(NC(=O)OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.023598298
43985,CCCOc1ccc(OOC)c(CN2CCN(c3cccc(Cl)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.72404283
43986,CCOC(=O)Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.33505908
43987,CCOC1CCN(CCN2CCN(c3ccccc3-c3nc(-c4ccc(Cl)cc4)cs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64068365
43988,CCOc1ccc(C2CCN(c3cc(OCCCS(N)(=O)=O)ccc3OC)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.23322466
43989,CCc1ccccc1S(=O)(=O)NCCOc1ccc(OS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09793826
43990,CN(C)c1cccc2c1CN1CCc3cc(Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76740324
43991,COCCCN1CCN(Cc2cccc(N3CCCCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58107877
43992,CON1CCN(CCNC(=O)c2ccc(-c3ccc(C)cc3)c(OS(C)(=O)=O)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.15412475
43993,COOc1ccc(OCCN2CCCC(Oc3ccccc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.49413627
43994,COc1cc2c(cc1-c1cccc3ccccc13)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60293365
43995,COc1cc2c(cc1-c1ccccc1[N+](=O)[O-])CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46591806
43996,COc1cc2c(cc1C(=O)c1ccc(Br)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41703436
43997,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(COC5CCC5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7205732
43998,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3cccc(C)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6803029
43999,COc1cc2c(cc1OC)C1Cc3cccc(COC4CCCCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.730457
44000,COc1ccc(OCCN2CCC(NC(=O)c3ccccc3C(C)C)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.43695328
44001,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1CN1CCC(S(=O)(=O)c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25827488
44002,COc1ccc(OCCNC(C)=O)cc1CN1CCC(Oc2ccc3c(c2)NC(=O)CCC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4260396
44003,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Oc2ccc(C3CCCC(O)C3C)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22393592
44004,COc1ccc(Oc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8839451
44005,COc1cccc(CN2CCN(CCCC3CCc4ccccc4C3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7155642
44006,COc1cccc(CN2CCN(CCCC3CNC(=O)c4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5438964
44007,COc1ccccc1N1CCN(CCN2CCC(CNC(=O)N(C)C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8530246
44008,COc1ccccc1N1CCN(CCN2CCC(CNS(=O)(=O)c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8296911
44009,CSOc1ccc(OCCNC(=O)Cc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.029348494
44010,Cc1cc(OCCCS(C)(=O)=O)ccc1ON1CCC(Oc2ccc(CC3CCCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18764831
44011,Cc1cc(OCCCS(N)(=O)=O)ccc1ON1CCCC(Cc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2410482
44012,Cc1cc(OCCN2CCC(O)(c3ccc(Cl)cc3)C2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.5362486
44013,Cc1cc(OCCNC(=O)Cc2ccccc2)ccc1OSCN(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.018408755
44014,Cc1cc(OCCNCCc2ccccc2)ccc1ON=S(C)(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.14988953
44015,Cc1cc(OCCOS(C)(=O)=O)ccc1ON1CCC(c2ccccc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24104498
44016,Cc1cc(OCCS(C)(=O)=O)ccc1ONCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.0641343
44017,Cc1cccc(C(=O)C2CCCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.48153836
44018,Cc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64493454
44019,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)Oc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65921384
44020,ClCCCN1CCN(Cc2cccc(COc3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.76851505
44021,Clc1cccc(CN2CCN(CCCCc3cc4ccccc4s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.79717976
44022,FCCOCCCN1CCN(Cc2cccc(-c3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.73858094
44023,O=C(NCc1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1)Nc1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.29909164
44024,O=C(Nc1cccc(CN2CCN(CCCCl)CC2)c1)N1CCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.42514652
44025,O=C(c1cccc(CN2CCN(CCCF)CC2)c1)c1ccccc1O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5796148
44026,Oc1ccccc1N1CCN(CCN2CCC(c3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79973936
44027,Oc1ccccc1N1CCN(CCN2CCC(c3nccs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7558212
44028,Oc1nc2ccccc2n1-c1ccccc1N1CCN(CCN2CCC(C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75270236
44029,CC(=O)Nc1cc(OCCF)ccc1ONS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.03547226
44030,CCCOc1ccc(OC)c(CC(=O)N2CC(C)Cc3ccccc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23692204
44031,CCCOc1ccc(OCN2CCN(c3ccc(Cl)cc3)CC2)c(OC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4212887
44032,CCCOc1ccc(ON2CCC(c3ccccc3)CC2)c(OC(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40355393
44033,CCCOc1ccc(ONC=O)c(CNc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.048698794
44034,CCCOc1ccc(OOC)c(N2CCCN(c3cccc(C(F)(F)F)c3Cl)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3505513
44035,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(Cc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21328774
44036,CCCOc1ccc(OS(C)(=O)=O)c(NC(C)c2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11838808
44037,CCCOc1ccc(OS(N)(=O)=O)c(NCCc2ccc(F)cn2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.066812694
44038,CCOc1cc(C)ccc1OCCCOc1ccc(ON=S(C)(=O)O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06422181
44039,CCOc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(C)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48433647
44040,CCOc1ccccc1OCCCOc1ccc(OOC)c(Cc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14763345
44041,COCCCN1CCN(Cc2cccc(S(=O)c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4495795
44042,COOc1ccc(OCCCN2CCC(Cc3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6095481
44043,COc1cc(C(=O)NCCN2CCN(O)CC2)ccc1-c1cccc(C#N)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26992166
44044,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccccc1S(=O)(=O)O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31787542
44045,COc1cc2c(cc1O)C1Cc3cccc(C(=O)c4cccc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53651077
44046,COc1ccc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)cc1C(C)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.9446617
44047,COc1ccc(C=Cc2cc3c(cc2OC)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70773214
44048,COc1ccc(OCCCN2CCC(Nc3ccccc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.55284214
44049,COc1ccc(OCCCN2CCC(c3ccccc3C)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5961568
44050,COc1ccc(OCCCN2CCN(C=O)C2)cc1-c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.44896615
44051,COc1ccc(OCCN2CCCC(Cc3ccc(F)cc3)C2)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.40795437
44052,COc1ccc(OCCN2CCCC(Cc3ccc(F)cc3)C2)cc1SC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3272672
44053,COc1ccc(OCCNS(=O)(=O)c2ccccc2C(C)C)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08081589
44054,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(Oc2ccc3c(c2)NC(=O)CCC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.44950005
44055,COc1ccc(OCC[SH](C)C)cc1N1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.40700078
44056,COc1cccc(C2CCN(CCOc3ccc(OC)c(OC)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.82574743
44057,COc1cccc(CN2CCN(CCCc3coc(C=Cc4ccccc4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63277084
44058,COc1cccc(CN2CCN(CCCn3ccc(=O)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61665916
44059,COc1cccc2c1CN1CCc3cc(C)c(OCc4cccc(CO)c4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5958164
44060,COc1ccccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1S(N)(=O)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3411607
44061,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7933327
44062,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(OC)c4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7816624
44063,Cc1cc(OCCC(=O)COc2ccccc2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.02059966
44064,Cc1cc(OCCF)ccc1ON1CCN(C(=O)c2cccc(Cl)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.06716163
44065,Cc1cc(OCCN2CCCC(CCc3ccc4c(c3)NC(=O)CC4)C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.37623414
44066,Cc1cccc(CN2CCN(CCCc3cc4ccccc4oc3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60697603
44067,Fc1ccc(SCCCN2CCN(Cc3cccc(F)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6203826
44068,Fc1cccc(CN2CCN(CCCCc3ccc(Cl)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7364036
44069,N#Cc1ccc(CCNc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47711593
44070,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)N=CC1N(c2ccccc2)CC(=O)N1c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.52300406
44071,O=C(NCc1cccc(CN2CCN(CCCOCCF)CC2)c1)c1ccoc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4175229
44072,O=C(OCc1ccccc1)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.44645375
44073,O=C1CCc2ccc(F)cc2N1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7103345
44074,OCCc1ccc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8060439
44075,OCc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.81365204
44076,CC(=O)c1ccccc1N1CCN(CCN2CCC(C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6706459
44077,CC(C)c1ccccc1N1CCN(CCN2CCC(c3cccc(C(F)(F)F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67079276
44078,CC1CCN(CCN2CCN(c3ccccc3-c3cnc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7547645
44079,CCCCN1CCN(Cc2cccc(N=C(OC)c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54561573
44080,CCCOc1ccc(OCCCc2ccccc2)c(CN(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18499246
44081,CCCOc1ccc(ONC(=O)Cc2cccc3ccc(F)cc23)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.015803594
44082,CCCOc1ccc(OOC)c(CN2CCN(c3ccccc3C(C)C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7635918
44083,CCCOc1ccc(OOC=O)c(CN2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7523124
44084,CCCOc1ccc(OS(=O)(=O)O)c(CCCc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27314803
44085,CCCOc1ccc(OS(C)(=O)=O)c(-c2ccc(OCC(F)(F)F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07347342
44086,CCCOc1ccc(OS(C)(=O)=O)c(C2CCCC(c3ccc(OCC(F)(F)F)cc3)N2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15803453
44087,CCOC(=O)c1cc(OCCN2CCN(Cc3ccccc3)CC2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.3108365
44088,CCOCCCN1CCN(Cc2cccc(C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60013235
44089,CCOCc1ccc(Cc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64168715
44090,COC1CCN(CCN2CCN(c3ccccc3C3=CC=Cc4cc(O)nc3c4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7452207
44091,COCCOc1ccc(OC)c(C2CCCN(c3ccccc3OC)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4050051
44092,COOc1ccc(OCCNCCc2ccc3c(c2)OC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.23802774
44093,COc1cc2c(cc1O)C1Cc3cccc(OC(F)(F)F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.87608844
44094,COc1cc2c(cc1OC(=O)OCc1ccccc1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.328902
44095,COc1ccc(-c2cc3c(cc2O)C2Cc4cccc(-c5cccc(C#N)c5)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6231649
44096,COc1ccc(OCCF)cc1N1CCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.33001173
44097,COc1ccc(OCCN2CCC(CNC(=O)c3ccc(F)cc3)C2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.42918953
44098,COc1ccc(OCCN2CCCC(C(=O)c3ccc(F)c(F)c3)C2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.26317185
44099,COc1ccc(OCCNCCc2ccc(F)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16536035
44100,COc1ccc(OCCNCCc2cccc3ccccc23)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2284159
44101,COc1ccc(OCCS(C)(=O)=O)cc1C(=O)Cc1ccc(C(F)(F)F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.033752684
44102,COc1ccc(OCCS(C)(=O)=O)cc1N1CCN(c2ccccc2OC(C)C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.40034944
44103,COc1ccc2c(c1)CCC(=O)N2c1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.763647
44104,COc1cccc(CN2CCN(CCCCNS(=O)(=O)c3cccc(Cl)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5549391
44105,COc1cccc(CN2CCN(CCCCc3ccc(-c4ccc(F)cc4)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6828674
44106,COc1cccc(COc2ccccc2-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5347912
44107,COc1cccc2ccc(Cc3cccc(CN4CCN(CCCCl)CC4)c3)cc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5807695
44108,COc1ccccc1N1CCN(CCN2CCC(c3ccc4c(c3)CCNC4=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82396644
44109,COc1ccccc1OCc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7196827
44110,CSOc1ccc(OCCN2CCc3ccc(S(=O)(=O)CC(F)(F)F)cc3CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.45710537
44111,CSc1ccc(CC2CCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.58413845
44112,CSc1ccc(CCSCCOc2ccc(ON=S(C)(=O)O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.03620291
44113,Cc1cc(OCCN2CCC(Cc3ccc4ccccc4n3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5424221
44114,Cc1cc(OCCN2CCC(c3cc4ccccc4o3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6394778
44115,Cc1ccccc1-c1cc2c(cc1O)CCN1Cc3c(cccc3C(F)(F)F)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5759058
44116,ClCCCN1CCN(Cc2cccc(N3CCC4CCCCC43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.44588527
44117,Cn1ccnc1C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85342723
44118,Fc1ccc(-c2ccccc2-c2cccc(CN3CCN(CCCCl)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6412355
44119,Fc1ccc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)nc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7684697
44120,Fc1cccc(CN2CCN(CCCCNc3ccccn3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.687558
44121,N#CC(C#N)=Cc1ccccc1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70206
44122,Oc1cc(-c2ccccc2)nn1C1CCN(CCN2CCN(c3ccccc3OC(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74701786
44123,C=Cc1ccccc1OCCc1cc(OCCSC)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.14272517
44124,CC(=O)CNC(=O)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44177815
44125,CC(C)c1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3ccccc3C#N)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6693452
44126,CCCOc1ccc(OC(=O)OC)c(CN2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.56457525
44127,CCCOc1ccc(ON2CCC(NC(=O)c3cccc(C(C)=O)c3)C2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.189312
44128,CCCOc1ccc(OOC)c(N2CCC(C(=O)C3=CC=C(F)CC3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24692264
44129,CCCOc1ccc(OSC)c(CN2CCC(NS(=O)(=O)c3cccc(C(C)C)c3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5585307
44130,CCOc1ccccc1C1CCN(CCCOc2ccc(OOC)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.68164325
44131,CCS(=O)(O)=Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5919763
44132,CCc1cccc(-c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68630016
44133,CNOc1ccc(OCCN2CCC(c3ccc(S(C)(=O)=O)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.51294804
44134,COC1CCN(CCN2CCN(c3ccccc3CNc3cc(-c4ccccc4)ccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7481566
44135,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4975182
44136,COCCCN1CCN(Cc2cccc(N3CCCCC3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49508092
44137,COCCOc1ccc(OC)c(N2CCC(Oc3ccc(C(C)=O)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20394243
44138,COc1cc(C(F)(F)F)ccc1Oc1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84981644
44139,COc1cc2c(cc1COCc1ccccc1)C1Cc3cccc(Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6772652
44140,COc1cc2c(cc1O)C1Cc3cccc(CN)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.86925
44141,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(cccc3C3CCCCC3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65172243
44142,COc1cc2c(cc1S(=O)(=O)c1ccccc1C#N)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71502024
44143,COc1ccc(OCCC(C)=O)cc1CCN1CCC(c2ccccc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.55571735
44144,COc1ccc(OCCC(C)Cc2ccccc2)cc1N1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5162769
44145,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCCC1Cc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.1691948
44146,COc1ccc(OCCS(C)(=O)=O)cc1CCCc1ccc(Cl)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.09334457
44147,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(OCc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.28500116
44148,COc1ccc(OCCS(C)(=O)=O)cc1N1CCN(c2ccccc2OCC(C)C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.334355
44149,COc1cccc2c1CN1CCc3cc(Cc4ccccc4[N+](=O)[O-])c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50224376
44150,COc1cccc2c1CN1CCc3cc(N(C)C)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74280953
44151,COc1ccccc1-c1cc(C(=O)NCCN2CCN(N)CC2)ccc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.38888285
44152,COc1ccccc1Cc1cccc2c1CN1CCc3cc(Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74259454
44153,COc1ccccc1N1CCCN(COc2ccc(OCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6140781
44154,CS(=O)(=O)NOc1ccc(OCCF)cc1CN1CCC(Cc2ccc(S(C)(=O)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2887829
44155,Cc1cc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)ccc1O,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6740549
44156,Cc1cc(OCCF)ccc1ON1CCC(NS(=O)(=O)c2cccc(C(F)(F)F)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.30223346
44157,Cc1cc(OCCN2CCC(C)(C(=O)N3CCc4ccccc43)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3174624
44158,Cc1cc(OCCN2CCC(COc3ccc4c(c3C)NC(=O)CC4)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.55158794
44159,Cc1cc(OCCNC(=O)CCc2ccccc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.031038264
44160,Cc1cc(OCCNC=S(C)(=O)O)ccc1OCNCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.162661
44161,Cc1cc(OCCS(=O)(=O)N(C)C)ccc1ONCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.047914874
44162,Cc1cc(OCCS(C)(=O)=O)ccc1OCNCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.113241486
44163,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCCC(c2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.25824642
44164,Cc1cc(OCCc2ccccc2OCC(F)(F)F)ccc1OCN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.31277648
44165,Cc1ccccc1N1CCN(CCN2CCC(C(O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64252895
44166,FC(F)(F)CCCN1CCN(Cc2cccc(Oc3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6068582
44167,O=C(NCCN1CCN(Cl)CC1)c1ccc(O)c(-c2ccccc2[N+](=O)[O-])c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.37339553
44168,O=[N+]([O-])c1cccc(-c2cccc3c2CN2CCc4cc(O)c(Cl)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45516557
44169,O=c1ncccn1CCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5797059
44170,CCCOc1ccc(OCNS(C)(=O)=O)c(N2CCN(c3ccccc3C(C)C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23945092
44171,CCCOc1ccc(ON2CCN(c3ccccc3OC)CC2)c(NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16793293
44172,CCCOc1ccc(ONC)c(CNc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11395544
44173,CCCOc1ccc(OS(C)(=O)=O)c(C2CCCC2COc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33128184
44174,CNC(=O)c1ccc(OC2CCN(CCOc3ccc(ONS(=O)(=O)O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.3262359
44175,COC(=O)NOc1ccc(OCCNCc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.14364322
44176,COC1CCN(CCN2CCN(c3ccccc3-c3ccnc(F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80784935
44177,COCCCN1CCN(Cc2cccc(-c3cc(-c4ccc(F)cc4)co3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.557513
44178,COOc1ccc(OCCCF)cc1CCN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.9373578
44179,COOc1ccc(OCCN2CCN(c3ccc(F)cc3)CC2)cc1C=O,[*]CCOc1ccc(O[*])c([*])c1,0.70886564
44180,COc1cc2c(cc1C(=O)C(C)C)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62691236
44181,COc1cc2c(cc1C(=O)NCc1cccc(C)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47628638
44182,COc1cc2c(cc1CNOCc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70093
44183,COc1cc2c(cc1NC(=O)Nc1ccccc1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.24661784
44184,COc1cc2c(cc1O)C1Cc3cccc(C(=O)NCC4CC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51243556
44185,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3ccc(CO)c4ccccc34)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7336396
44186,COc1cc2c(cc1OC)C1Cc3cccc(NC(=O)c4cccc(F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.27725753
44187,COc1ccc(C2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)cc1OC,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6699101
44188,COc1ccc(OCCCCN)cc1NC(=O)Cc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.0048328233
44189,COc1ccc(OCCCCN2CCC(c3ccccc3)CC2)cc1S(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.67580324
44190,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(Cc2ccc(OC3CCC(=O)CC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31106776
44191,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(Cc2ccc3c(c2)CCC(=O)N3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.33461717
44192,COc1ccc2c(c1)c(C)cc(=O)n2-c1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65172875
44193,COc1cccc2c1CN1CCc3cc([N+](=O)C(=O)O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5162632
44194,COc1ccccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1O[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.34083527
44195,COc1ccccc1N1CCN(CCN2CCC(COc3ccc4nccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83357567
44196,COc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccc(F)cn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8399116
44197,COc1ccccc1N1CCN(CCN2CCC(c3cccc(-c4ccccn4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.88382703
44198,COc1cccn1-c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63280076
44199,Cc1cc(OCCCN2CCCC(Cc3ccc(F)cc3)C2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.48677495
44200,Cc1cc(OCCF)ccc1ON1CC(O)CCc2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.24782382
44201,Cc1cc(OCCN2CCC(Nc3ccccc3F)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.42647573
44202,Cc1cc(OCCNCCc2cccs2)ccc1OCS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.15558153
44203,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCCC(Cc2ccc(C3CCCCC3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.16410026
44204,Cc1cc2c(cc1-c1ccc3cc[nH]c3c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6944636
44205,FC(F)(F)Oc1cccc(CN2CCN(CCCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.613198
44206,N#Cc1cccc(S(=O)(=O)c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.63914335
44207,NC(=O)c1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49841574
44208,O=C(NC1CCN(CCN2CCN(c3ccccc3-c3ccccc3)CC2)CC1)c1ccccc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8679551
44209,O=C(NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)OCc1ccccc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75827914
44210,O=c1c2ccccc2nc(O)n1-c1ccccc1N1CCN(CCN2CCC(F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6255463
44211,Oc1cc2c(cc1Cc1ccccn1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68367606
44212,Oc1cc2c(cc1O)C1Cc3cccc(NCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4579974
44213,Oc1cnc(-c2ccccc2N2CCN(CCN3CCC(F)CC3)CC2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67442983
44214,CC(O)c1ccccc1N1CCN(CCN2CCC(n3ccc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6287977
44215,CC1(C)Nc2ccccc2C1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6471433
44216,CCCOc1ccc(OC)c(CN2CCN(C=[SH](=O)c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4427376
44217,CCCOc1ccc(OCO)c(C(=O)COc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09680024
44218,CCCOc1ccc(OF)c(CCCc2ccccc2OC2CCNCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3993035
44219,CCCOc1ccc(ON2CCC(c3cccc(C(F)(F)F)c3)CC2)c(OC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16160491
44220,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(Oc3ccc(C(C)C)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20684649
44221,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(OC3=CC=C4C=CC(CCCCC3)C4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2493957
44222,CCCOc1ccc(OOS(C)(=O)=O)c(Oc2ccccc2CCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17658155
44223,CCOCCCN1CCN(Cc2cccc(COc3ccc4ccc(=O)oc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4902855
44224,CCc1cccc(C2CCN(CCOc3ccc(OC)c(SC(F)(F)F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7005513
44225,CN1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(-c3ccccc3[O-])c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3240499
44226,COC1CCN(CCN2CCN(c3ccccc3-c3ccc4cc(O)ccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66718066
44227,CON1CCN(CCNC(=O)c2ccc(S(C)(=O)=O)c(-c3ccccc3OC(C)C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3570259
44228,COOc1ccc(OCCC(O)CCc2ccccn2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.09031968
44229,COc1cc2c(cc1-c1ccc(CO)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6537999
44230,COc1cc2c(cc1C)C1Cc3cccc(-c4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6345731
44231,COc1cc2c(cc1Cc1ccc(OC)c3ccccc13)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7493736
44232,COc1cc2c(cc1OC(C)C)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7257419
44233,COc1cc2c(cc1Oc1cccc(C)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.773638
44234,COc1cc2c(cc1Oc1ccccc1)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74416935
44235,COc1ccc(F)cc1S(=O)(=O)NC1CCN(CCOc2ccc(ONS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6556517
44236,COc1ccc(OCCC(=O)Cc2ccc3c(c2)NC(=O)CC3)cc1N=S(C)(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16494615
44237,COc1ccc(OCCCS(N)(=O)=O)cc1N1CCC(Cc2ccc(F)cc2)CC1CF,[*]CCOc1ccc(O[*])c([*])c1,0.22957885
44238,COc1ccc(OCCF)cc1NS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.052470118
44239,COc1ccc(OCCN2CCCC(c3cccc(C(C)=O)c3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.41120544
44240,COc1ccc(OCCS(N)(=O)=O)cc1N1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3023038
44241,COc1ccc2c(c1)CCC(=O)N2c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7086993
44242,COc1ccc2c(ccn2C2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68416965
44243,COc1cccc2c1CN1CCc3cc(N=CCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7000451
44244,COc1cccc2c1CN1CCc3cc(NC(=O)c4ccc5ccccc5c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36555713
44245,COc1cccc2c1CN1CCc3cc(OCc4ccccn4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.634523
44246,COc1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.96924865
44247,Cc1cc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)ccc1OS(=O)C1CCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.5839718
44248,Cc1cc(OCCN2CCC(COc3ccccc3)CC2)ccc1ONS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.514739
44249,Cc1cc(OCCN2CCC(c3ccccc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6592965
44250,Cc1cc(OCCN2CCN(c3cccc(F)c3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.7404393
44251,Cc1cc(OCCNC(O)CCc2ccc3c(c2)NC(=O)CC3)ccc1ON(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09650629
44252,Cc1cc(OCCNCc2ccccc2)ccc1ONC=O,[*]CCOc1ccc(O[*])c([*])c1,0.28114915
44253,Cc1ccccc1N1CCN(CCN2CCC(c3nccn3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65551865
44254,ClC1CCN(CCN2CCN(c3ccccc3Nc3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.519287
44255,N#Cc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7586744
44256,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)N1c2ccccc2CCC1O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72472626
44257,Oc1cc2c(cc1Oc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74660426
44258,Oc1nccn1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7133881
44259,CC1CCN(CCN2CCN(c3ccccc3-c3nc4ccccc4[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7692156
44260,CC1CCN(CCN2CCN(c3ccccc3S(C)(=O)=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75391096
44261,CCCOc1ccc(OC(C)=O)c(N2CCN(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5512016
44262,CCCOc1ccc(OC)c(CN2CCC(Cc3ccco3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.42264462
44263,CCCOc1ccc(ONS(C)(=O)=O)c(CC(C=O)COc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21382666
44264,CCCOc1ccc(ONS(C)(=O)=O)c(NC(=O)COc2ccccc2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.008503986
44265,CCCOc1ccc(ONS(C)(=O)=O)c(NC2CCC(O)c3cc(C(C)=O)ccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23114291
44266,CCCOc1ccc(OS(C)(=O)=O)c(-c2ccccc2C(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09870684
44267,CCCOc1ccc(OS(C)(=O)=O)c(Cn2cc(C)cc2O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.058804955
44268,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(C(=O)Nc3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0558152
44269,CCCOc1ccc(OS(C)(=O)=O)c(NCc2ccc3c(c2)CCC(=O)N3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12394028
44270,CCOc1ccc2ccc(C3CCN(Oc4ccc(OCCNS(C)(=O)=O)cc4C)CC3)cc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.2238762
44271,CCOc1cccc2c1CN1CCc3cc(F)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74397385
44272,CCOc1ccccc1N1CCCN(CCCOc2ccc(ON)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.764105
44273,CCc1ccc(CNCCOc2ccc(OS(C)(=O)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.16563715
44274,CCc1ccccc1N1CCN(Oc2ccc(OCCNC(C)=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1565155
44275,CNOc1ccc(OCCCN2CCN(c3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.66276836
44276,CON1CCN(CCNC(=O)c2ccc(-c3cccc(Cl)c3Cl)c(C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.24442975
44277,CON1CCN(CCNC(=O)c2ccc(C)c(C3Oc4ccccc4C3=O)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30670962
44278,COc1cc2c(cc1O)C1Cc3cccc(-c4cccc(C(C)O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70346
44279,COc1cc2c(cc1O)C1Cc3cccc(OCC(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.84718204
44280,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccc(OCF)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7097695
44281,COc1cc2c(cc1O)CCN1Cc3c(cccc3NCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49398857
44282,COc1cc2c(cc1O)CCN1Cc3c(cccc3OC(=O)c3cccc4ccccc34)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5007868
44283,COc1cc2c(cc1OC(=O)Nc1ccccc1C)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.26314956
44284,COc1ccc(OCCCCOc2ccccc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.08798345
44285,COc1ccc(OCCN2CCC(c3ccc(OC4CCCCN4)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5934826
44286,COc1ccc(OCCN2CCC(c3cccc(C(F)(F)F)c3)CC2)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.63497573
44287,COc1ccc(OCCNCCc2ccc(F)cc2)cc1NC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07162937
44288,COc1ccc(OCCNS(=O)(=O)c2ccc(F)cc2)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.038906004
44289,COc1ccc(OCCS(=O)(=O)c2ccccc2CC(C)C)cc1N1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3678547
44290,COc1ccc(OCc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6871321
44291,COc1ccc2cccc(Cc3cccc4c3CN3CCc5cc(O)c(OC)cc5C3C4)c2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8313729
44292,COc1ccc2nc(C3CCN(CCN4CCN(c5ccccc5OC)CC4)CC3)ccc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72766614
44293,COc1cccc2c1CN1CCc3cc(O)c(OCc4ccc(C)cc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52962565
44294,CSOc1ccc(OCCN2CCC(O)(c3ccc(F)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5229248
44295,Cc1cc(OCCN2CCCC2Cc2ccc3ccccc3c2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.29071745
44296,Cc1cc(OCCN2CCCCC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.32493618
44297,Cc1cc(OCCN2CCN(Cc3cc4ccccc4o3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.494385
44298,Cc1cc(OCCc2ccc(F)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07024784
44299,Cc1cc2c(cc1O)C1Cc3cccc(OC(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66416407
44300,Cc1ccc(C(=O)NCCN2CCN([N+](=O)[O-])CC2)cc1-c1cccc([N+](=O)[O-])c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.20891336
44301,Cc1ccccc1N1CCN(CCN2CCC(c3nc(O)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71131563
44302,Clc1cccc(CN2CCN(CCCCOc3cccc4ccoc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70765287
44303,O=C(NCc1cccc(CN2CCN(CCCOC(F)(F)F)CC2)c1)c1cc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48303083
44304,O=C(c1ccc(F)nc1)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7337968
44305,C#Cc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1cccc(Cl)c1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31700712
44306,C#Cc1cccc(-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68112916
44307,CC(=O)C1CCN(CCN2CCN(c3ccccc3Cn3c(O)cc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.624183
44308,CC1c2ccccc2N(c2cccc(CN3CCN(CCCF)CC3)c2)S1(=O)=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63100326
44309,CCCCc1ccccc1N1CCN(Cc2cc(OCCF)ccc2OOC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7434929
44310,CCCNc1cc(OCCC)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06635298
44311,CCCOc1ccc(OCl)c(N2CCN(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2752663
44312,CCCOc1ccc(OF)c(NC(=O)c2ccc(N(C)S(=O)(=O)O)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.020195184
44313,CCCOc1ccc(ON2CCN(c3ccccc3OC)CC2)c(C(=O)OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12322288
44314,CCOC1CCN(CCN2CCN(c3ccccc3-c3ccc(OC)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76811546
44315,CCOc1ccccc1N1CCN(CCN2CCC(C(=O)Nc3ccccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.44417137
44316,CN(Cc1cccnc1)Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.581671
44317,CNOc1ccc(OCCN2CCC(c3ccc(Cl)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5747812
44318,CNOc1ccc(OCCN2CCCC(Oc3ccc(C)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.28002146
44319,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3cc4ccccc4nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65895605
44320,COCc1cc2c(cc1O)C1Cc3cccc(C#N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.743874
44321,COOc1ccc(OCCNCCCc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.38431987
44322,COc1cc2c(cc1CO)C1Cc3cccc(CNCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57379204
44323,COc1cc2c(cc1O)C1Cc3cccc(-c4cc(CO)ccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6723037
44324,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(COC(C)=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53072035
44325,COc1cc2c(cc1O)C1Cc3cccc(S(=O)(=O)Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6490616
44326,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(CNC(C)=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43797582
44327,COc1cc2c(cc1OC)C1Cc3cccc(OCCF)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8268207
44328,COc1ccc(OCCN=S(C)(=O)O)cc1CCCc1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.04680876
44329,COc1ccc(OCCNS(C)(=O)=O)cc1CCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.115019545
44330,COc1ccc(OCCS(=O)(=O)c2ccc(C(C)=O)s2)cc1N1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22739115
44331,COc1ccc(OCCS(C)(=O)=O)cc1CCC(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.04918188
44332,COc1ccc(OCCS(N)(=O)=O)cc1CC1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1422413
44333,COc1ccccc1N1CCN(CCN2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83730173
44334,COc1ccccc1N1CCN(CCN2CCC(c3cc(C)ccc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72512376
44335,C[SH](=O)(O)C=Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5871641
44336,Cc1cc(OCCF)ccc1OC(=O)NCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.024696542
44337,Cc1cc(OCCF)ccc1ON1CCC(OS(=O)(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2196082
44338,Cc1cc(OCCN2CCNC2=O)ccc1ON=S(=O)(O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.082693055
44339,Cc1cc2c(cc1C(=O)N(C)Cc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4341194
44340,Cc1ccccc1N1CCN(CCN2CCC(COc3ccc4nc(O)ccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.57330036
44341,Clc1cccc(CN2CCN(CCCCNc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5703363
44342,N#Cc1cccc(-c2cc3c(cc2O)C2Cc4cccc(Br)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64672524
44343,O=C(Nc1cccc(Oc2ccccc2)c1)NC1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6302983
44344,O=C(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1cc2ccccc2s1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.44415122
44345,O=C(c1cccc(CN2CCN(CCCCl)CC2)c1)C1CNc2ccccc2C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6006813
44346,O=C1CC2(CCCC2)CC(=O)N1c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7261553
44347,O=C1CCCCN1c1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4874138
44348,O=C1CSc2ccccc2N1Cc1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5219813
44349,O=C1c2ccccc2C2CCCC12c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68350285
44350,C=Cc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.80885166
44351,CC(=O)Nc1cccc(CCCN2CCN(Cc3cccc(Cl)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.32237953
44352,CC(=O)c1ccc(C(=O)C2CCN(CCc3cc(OCCF)ccc3ONS(C)(=O)=O)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.5891399
44353,CC(C)(C)OC(=O)NCC1CCN(CCN2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.57556576
44354,CC(C)Oc1ccccc1N1CCN(CCN2CCC(C(=O)NCc3cccc(F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8265284
44355,CC(C)c1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69514674
44356,CCCOc1ccc(OCF)c(N2CCN(c3ccccn3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31987813
44357,CCCOc1ccc(OS(C)(=O)=O)c(-c2c(CC3CCCCC3)ccc3c2CCC(=O)NC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21958824
44358,CCCOc1ccc(OS(C)(=O)=O)c(CC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05008044
44359,CCCOc1ccc(OS(N)(=O)=O)c(C2=CC=C(OCC(C)C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16234082
44360,CCOc1ccccc1-c1cc(C(=O)NCCN2CCN(O)CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31952927
44361,CCc1ccccc1C(CCCOc1ccc(OC)c(OS(C)(=O)=O)c1)CCN1CC1,[*]CCOc1ccc(O[*])c([*])c1,0.48078692
44362,CCc1ccccc1N1CCN(CCN2CCC(c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79295695
44363,COC1CCN(CCN2CCN(c3ccccc3NS(=O)(=O)c3cccc(F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.60376525
44364,COCCCN1CCN(Cc2cccc(-c3ccsc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5973639
44365,CON1CCN(CCNC(=O)c2ccc(C(C)=O)c(-c3ccc(Cl)cc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3008679
44366,COOc1ccc(OCCNC(=O)Cc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.018743377
44367,COc1cc2c(cc1O)C1Cc3cccc(CCc4ccc(F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.84561515
44368,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc([N+](=O)[O-])cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54572934
44369,COc1cc2c(cc1[N+](=O)c1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59755373
44370,COc1ccc(OCCF)cc1CN1CCN(c2cccc(Cl)c2Cl)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8560169
44371,COc1ccc(OCCF)cc1CNS(=O)(=O)c1cccc(Cl)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07754744
44372,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(C(=O)c2ccc(CC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.16037627
44373,COc1ccc(OCCNCC=Cc2ccco2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.07857939
44374,COc1cccc(C(=O)c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5853776
44375,COc1cccc(CCc2cccc3c2CN2CCc4cc(Cl)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.653182
44376,COc1cccc(CN2CCN(CCCc3cccc4c3NC(=O)C(C)C4)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61472595
44377,COc1cccc(S(=O)(=O)NCc2cccc(CN3CCN(CCCCl)CC3)c2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49957052
44378,COc1cccc2c1CN1CCc3cc(-c4ccncc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64879733
44379,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(CO)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29909924
44380,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc4cccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8608551
44381,COc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccc4O)nc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7353596
44382,COc1ccccc1N1CCN(CCN2CCC(n3cnc(-c4ccccn4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85253114
44383,Cc1cc(OCCCF)ccc1ONC(=O)c1cccc(N2CCNCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15762033
44384,Cc1cc(OCCN2CCC(COc3cc(N)c4c(c3)OC(=O)CC4)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.49555388
44385,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)C(O)CC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10930944
44386,Cc1cc(OCCNCC2C(=O)CCc3ccccc32)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1837064
44387,Cc1cc(OCCNS(=O)(=O)c2ccc(F)cc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.057794504
44388,Cc1cccc(CN2CCN(CCCCN3c4ccccc4CS3(=O)=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.8056201
44389,O=C(N=Cc1cccc(CN2CCN(CCCF)CC2)c1)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5955571
44390,O=C(NCc1ccc(F)cc1)c1ccccc1N1CCN(CCN2CCC(O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.708222
44391,O=C(O)c1cc2c(cc1F)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5653708
44392,Oc1cc2c(cc1Cc1cccc(F)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.767102
44393,c1ccc(CCCCN2CCN(Cc3cccc(-c4cc5ccccc5o4)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7928126
44394,C=CC1C(=O)c2ccccc2N1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6127905
44395,CC(=O)OCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49294367
44396,CC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3cc4ccccc4nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5778241
44397,CCCCN1CCN(Cc2cccc(COC(=O)C3Cc4ccccc4-c4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57419604
44398,CCCOc1ccc(OC=O)c(CC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.033156164
44399,CCCOc1ccc(OF)c(C(=O)OCCc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16095376
44400,CCCOc1ccc(OF)c(CNC(=O)CN2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1896089
44401,CCCOc1ccc(ONCCc2ccccc2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10118984
44402,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCCC(CCc3ccc(SC)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21017879
44403,CCCOc1ccc(OSC)c(Cc2ccc(Cl)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10940566
44404,CCCc1ccc(OCC(=O)NCCOc2ccc(ONS(C)(=O)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.020668957
44405,CNc1ccc(-c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71469754
44406,COC1CCN(CCN2CCN(c3ccccc3-c3cc(C)on3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7010383
44407,CON1CCN(CCNC(=O)c2ccc(C(C)=O)c(-c3ccccc3C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30366153
44408,CON1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(-c3cccc([N+](=O)[O-])c3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.25331342
44409,COc1cc2c(cc1C(=O)OCc1ccc(C)cc1)C1Cc3cccc(Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39026886
44410,COc1cc2c(cc1COc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78859526
44411,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cc(CO)c4ccccc4c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69536984
44412,COc1ccc(OCCC2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.07911385
44413,COc1ccc(OCCCC=Cc2ccc(F)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.15304457
44414,COc1ccc(OCCN2CCC(O)(c3ccc(F)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.6028131
44415,COc1ccc(OCCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.74959475
44416,COc1ccc(OCCN2CCNC2=O)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.22974451
44417,COc1ccc(OCCS(C)(=O)=O)cc1C1CCC(CCc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.32246125
44418,COc1ccc(OCCS(C)(=O)=O)cc1CN1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5442771
44419,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(=O)c2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.32354784
44420,COc1ccc(OCCS(C)=O)cc1N1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.25292453
44421,COc1cccc(CCc2cc3c(cc2OC)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72769797
44422,COc1cccc(CN2CCN(CCCn3c(=O)[nH]c4ccccc4c3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.42688343
44423,COc1cccc(CNCCOc2ccc(OS(N)(=O)=O)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15113433
44424,COc1cccc2c1CN1CCc3cc(-c4ccc(OC(C)C)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73605275
44425,COc1cccc2c1CN1CCc3cc(C=NOCc4ccccc4)c(C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5992365
44426,COc1ccccc1-c1cc(C(=O)NCCN2CCN(F)CC2)ccc1C(N)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.38069022
44427,COc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccc(Cl)cc4)ncn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76611876
44428,COc1ccccc1N1CCN(CCN2CCC(c3cccc4ncccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7735781
44429,Cc1cc(OCCF)ccc1OCN1CCN(C=[SH](=O)c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2650676
44430,Cc1cc(OCCF)ccc1ONS(=O)(=O)Cc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.054046262
44431,Cc1cc(OCCN2C(=O)CCc3ccccc32)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.22955042
44432,Cc1cc(OCCN2CCCC(COc3ccc(F)cc3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.42341098
44433,Cc1cc(OCCN=S(C)(=O)O)ccc1OCN1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.28589523
44434,Cc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccco4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5894457
44435,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)N1C(=O)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60185665
44436,O=C1Nc2ccccc2S(=O)N1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6368341
44437,Oc1cc2c(cc1Cl)C1Cc3cccc(Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7293265
44438,C=Cc1cccc2c1CN1CCc3cc(O)c(CO)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6045428
44439,CCCOc1ccc(OBr)c(N2CCN(CCc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8535374
44440,CCCOc1ccc(OC(C)=O)c(N2CCC(Nc3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.115050636
44441,CCCOc1ccc(OCN2CCCN(c3ccc(Cl)cc3)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6138218
44442,CCCOc1ccc(ON=S(C)(=O)O)c(C2CCC3CC(Cc4ccc(F)cc4)CN3CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24780837
44443,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCCC(Cc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2252369
44444,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31945238
44445,CCCOc1ccc(OOC)c(CC(=O)Nc2cc(F)ccc2F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.006572022
44446,CCCOc1ccc(OS(C)(=O)=O)c(CC2CCc3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40676054
44447,CCCOc1ccc(OSC)c(NC2CCc3cc(OC)c(OC)cc3CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.383318
44448,CCOc1cc2c(cc1OC)CCN1Cc3c(cccc3OCc3ccc(CO)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60501295
44449,CCOc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8511949
44450,CCOc1ccccc1OCCCOc1ccc(ONS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07120109
44451,CNC(=O)Oc1cccc(Cc2cc3c(cc2OC)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35345793
44452,COC(=O)C1Cc2ccccc2N1c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54815537
44453,COC(=O)Nc1cccc(-c2cccc(CN3CCN(CCCCl)CC3)c2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3240069
44454,COC1=CC=C2CCC(CCCNc3cc(OCCS(C)(=O)=O)ccc3OC)C(C=C1)C2,[*]CCOc1ccc(O[*])c([*])c1,0.22597258
44455,COC1CCN(CCN2CCN(c3ccccc3-n3ccc(F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80418456
44456,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3cccc(C)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4847683
44457,COCCCN1CCN(Cc2cccc(-c3cccc(OS(C)(=O)=O)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48358297
44458,COCCCN1CCN(Cc2cccc(C(=O)N3c4ccccc4CC3C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7055477
44459,COc1cc2c(cc1-c1cccc(CNC(C)=O)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46515724
44460,COc1cc2c(cc1O)CCN1Cc3c(cccc3Oc3c(OC)cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71158516
44461,COc1ccc(C(=O)NCCN2CCN([N+](=O)c3ccccc3)CC2)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29015675
44462,COc1ccc(OCCC(N)=O)cc1CNc1ccccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.014910134
44463,COc1ccc(OCCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.7779903
44464,COc1ccc(OCCN2CCC(CCc3ccccc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.57285637
44465,COc1ccc(OCCN=S(C)(=O)O)cc1NCCc1ccc(OC2CCCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.1146193
44466,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1NCC1CCNC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.05386715
44467,COc1ccc(OCCOS(C)(=O)=O)cc1N1CCC(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2581864
44468,COc1ccc(OCCS(C)(=O)=O)cc1NCCc1cccc2ccccc12,[*]CCOc1ccc(O[*])c([*])c1,0.09732139
44469,COc1cccc(CN2CCN(CCCCc3cc4ccccc4cc3O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70173156
44470,COc1cccc(CN2CCN(CCCn3c(=O)oc4ccccc4c3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5156024
44471,COc1cccc2c1CN1CCc3cc(C(=O)Nc4ccccc4OC(F)(F)F)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32500374
44472,COc1ccccc1N1CCN(CCN2CCC(Cc3cc4ccccc4s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87101233
44473,COc1ccccc1Oc1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83708465
44474,CSCCCN1CCN(Cc2cccc(-c3cc4ccccc4s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5481425
44475,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(Cc2ccc(OC3CC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.13258642
44476,Cc1cc2c(cc1OCc1ccc3ccccc3c1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64843124
44477,Cc1cccc(CN2CCN(CCCCC(=O)c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59636784
44478,Fc1ccccc1N1CCN(CCN2CCC(n3ccc(-c4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7479285
44479,N#Cc1cccc(NC(=O)NC2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7106053
44480,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)N1CCOc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5582555
44481,O=Cc1cccc(CN2CCN(CCCc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70687765
44482,O=S(=O)(c1cccc(CN2CCN(CCCCl)CC2)c1)c1ccc2ccccc2n1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53900963
44483,Oc1cc2c(cc1O)C1Cc3cccc(N4CCCC(OCc5ccccc5)C4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.483471
44484,Oc1cccc(CN2CCN(CCCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.763567
44485,[N+]c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.81818897
44486,CC(=O)Nc1cccc(CN2CCN(CCCCc3cccc(-c4ccccc4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.355223
44487,CCCOc1ccc(OC(F)CCc2ccccc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12294666
44488,CCCOc1ccc(OC(N)=O)c(CCN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.79825383
44489,CCCOc1ccc(OCl)c(N2CCN(c3ccccc3OCC(C)C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40111902
44490,CCCOc1ccc(ON2CCC(NC(=O)c3ccccc3)CC2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11824732
44491,CCCOc1ccc(ONCCCc2ccccc2)c(NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14704297
44492,CCCOc1ccc(ONS(C)(=O)=O)c(CCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.093585834
44493,CCCOc1ccc(ONS(C)(=O)=O)c(CNCCCC2CCCc3ccccc3O2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2832934
44494,CCCOc1ccc(OS(=O)(=O)N(C)C)c(NCC2CCc3c(cccc3OC)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5685615
44495,CN(Cc1ccccc1)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65781486
44496,COCCOc1ccc(OC)c(CN2CCCN(c3ccc(C(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6823443
44497,COCc1cc2c(cc1C)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67976654
44498,COOc1ccc(OCCC(=O)COc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.03708738
44499,COOc1ccc(OCCCC(=O)c2ccc(SC)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.032459993
44500,COc1cc(-c2ccc(C(=O)NCCN3CCN(OC)CC3)cc2OC)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26935893
44501,COc1cc2c(cc1C)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7407067
44502,COc1cc2c(cc1CN)C1Cc3cccc(Oc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53991604
44503,COc1cc2c(cc1NC(=O)OCc1ccccc1)C1Cc3cccc(-c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.27950984
44504,COc1cc2c(cc1O)C1Cc3cccc([N+](=O)c4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6510989
44505,COc1cc2c(cc1OC)C1Cc3cccc(NC(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53704566
44506,COc1ccc(Br)cc1C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7885253
44507,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1cccc2cc[nH]c12,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3727479
44508,COc1ccc(F)cc1S(=O)(=O)NCCOc1ccc(OC)c(S(=O)(=O)C2CCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18970862
44509,COc1ccc(OCCC(F)COc2ccc3c(c2)NC(=O)CC3)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.27136523
44510,COc1ccc(OCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.83385634
44511,COc1ccc(OCCN2CCC(C(=O)c3cccs3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5042509
44512,COc1ccc(OCCNCC2COc3ccccc3C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.24017724
44513,COc1ccc(OCCNCCc2ccc3ccccc3c2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.21171965
44514,COc1ccc(OCCc2cccc(OCC(F)(F)F)c2)cc1CN1CCC(S(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.43566322
44515,COc1ccc2c(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)c(OC)ccc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70384777
44516,COc1cccc(CN2CCN(CCCCN3Cc4ccccc4NC3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6940013
44517,COc1ccccc1C1CCN(CCN2CCN(c3ccccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85173786
44518,COc1ccccc1N1CCN(CCN2CCC(OCc3cc4ccccc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8578663
44519,Cc1cc(OCCN2CCCC(c3ccccc3OC3CC3)C2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.5641285
44520,Cc1cc(OCCN=S(=O)(O)O)ccc1ON1CCC(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.14945173
44521,Cc1cc(OCCN=S(C)(=O)O)ccc1OCCCc1ccccn1,[*]CCOc1ccc(O[*])c([*])c1,0.10748917
44522,Cc1ccc(Cc2cccc3c2CN2CCc4cc(O)c(C)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5272836
44523,Cc1ccccc1N1CCN(CCN2CCC(c3nc(O)ccc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6265749
44524,ClC1CCN(CCN2CCN(c3ccccc3-c3csc(-c4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80592823
44525,ClC1CCN(CCN2CCN(c3ccccc3Nc3ccc(-c4ccccc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5452234
44526,Fc1ccc2cc(C3CCN(CCN4CCN(c5ccccc5OC(F)(F)F)CC4)CC3)nn2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74089044
44527,N#Cc1cc(F)cc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7190746
44528,O=C1CCc2c(O)cccc2N1c1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65301925
44529,Oc1cc2c(cc1C=[N+](O)c1ccccc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61605245
44530,C#CC1=CN(CCCOc2ccc(OC)c(F)c2)CCC1,[*]CCOc1ccc(O[*])c([*])c1,0.32694778
44531,CCCNC(=O)Oc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4274675
44532,CCCOc1ccc(OC(=O)NS(C)(=O)=O)c(N2CCC(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16134652
44533,CCCOc1ccc(OC)c(N2CCN(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.82390827
44534,CCCOc1ccc(OCN2CCCC(c3ccccc3OC)C2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5398362
44535,CCCOc1ccc(ON)c(CCOc2ccccc2OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13301767
44536,CCCOc1ccc(ON2CCC(c3ccccc3)CC2)c(C(N)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1943923
44537,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(CC(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29392713
44538,CCCOc1ccc(OS(=O)(=O)c2ccccc2)c(C(C)OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05741073
44539,CCCOc1ccc(OS(C)(=O)=O)c(C(F)COc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.079811685
44540,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Oc3ccc4ccccc4c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31739303
44541,CCCOc1ccc(OS(C)(=O)=O)c(NCC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.032280542
44542,CCOCc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78197604
44543,CN(C)C(=O)NCc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51372266
44544,COC1CCN(CCN2CCN(c3ccccc3-c3cc(O)nc4ncccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7026374
44545,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3cccc(C)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7224408
44546,COCCCN1CCN(Cc2cccc(C3=CC=Cc4ccccc4N3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.40604967
44547,COCCOc1ccc(OC)c(CN2CCN(c3cc(C(F)(F)F)ccc3F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6484854
44548,COCCOc1ccc(OC)c(N2CCC(C([O-])c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3389713
44549,COCCOc1ccc(ON2CCC(Oc3ccccc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40749785
44550,COc1cc2c(cc1C#Cc1cccnc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6873337
44551,COc1cc2c(cc1CC(C)C)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.80040145
44552,COc1cc2c(cc1OC)C1Cc3cccc(OCc4cc(OC)c5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6031291
44553,COc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7115071
44554,COc1ccc(OCCCc2ccccc2)cc1NC(=O)CCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.01957534
44555,COc1ccc(OCCF)cc1CN1CCN(C(=O)c2ccc(F)cc2)CC1CO,[*]CCOc1ccc(O[*])c([*])c1,0.12888266
44556,COc1ccc(OCCF)cc1CN1CCN(c2ccccc2OC)C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.3282164
44557,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(COc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22050188
44558,COc1ccc(OCCS(C)(=O)=O)cc1CCCc1coc2ccccc12,[*]CCOc1ccc(O[*])c([*])c1,0.11421113
44559,COc1ccc(OCCS(C)(=O)=O)cc1NCC1CCc2c(F)cccc2C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.2766747
44560,COc1cccc(CN2CCN(CCOc3ccc(OOS(C)(=O)=O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4152562
44561,COc1cccc2c1CN1CCc3cc(OCc4ccc(C#N)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6553926
44562,COc1ccccc1-c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6101527
44563,COc1ccccc1N1CCN(CCN2CCC(c3ccc([N+](=O)F)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7823643
44564,CSc1ccc(C2CCCN(COc3ccc(OCCF)cc3C)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.40219024
44565,Cc1cc(OCCC(=O)COc2ccc(CCCF)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.043627303
44566,Cc1cc(OCCN2CCCC(Cc3ccc4c(c3)NC(=O)CCS4)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.41268593
44567,Cc1cc(OCCN=S(=O)(O)O)ccc1ON1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.15536982
44568,Cc1cc(OCCNCCc2ccc(OC3CCCC3)cc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13971716
44569,Cc1cc(OCCNS(C)(=O)=O)ccc1OC(=O)COc1ccc(CF)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.019362813
44570,Cc1cc(OCCNS(C)(=O)=O)ccc1OC1CCN(Cc2ccc3c(c2)CCC(=O)C3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.34141257
44571,Cc1ccccc1N1CCN(CCN2CCC(COc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6850183
44572,FC(F)(F)c1ccccc1N1CCN(CCN2CCC(c3cc4ccccc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7684585
44573,N#Cc1ccccc1N1CCN(CCN2CCC(C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9174357
44574,O=C(CCCN1CCN(Cc2cccc(O)c2)CC1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6964343
44575,O=C(NC1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1)c1ccc(F)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83379513
44576,O=S(=O)(NCc1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1)c1cccc2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.45415092
44577,Oc1cc2c(cc1O)C1Cc3cccc(CN4CCCCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5824898
44578,CCCCN1CCN(Cc2cccc(CNC(=O)c3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.44309935
44579,CCCCc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.80136406
44580,CCCOc1ccc(OCN2CCCN(c3ccccc3OCC)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6511329
44581,CCCOc1ccc(ON=S(C)(=O)O)c(CCCc2ccc3c(c2)C(C)CC(=O)N3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09765437
44582,CCCOc1ccc(OS(=O)(=O)NC)c(N2CCC(c3ccc(SC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2747754
44583,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)CCC2CCC2Cc2ccc(OC3CCCCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.024281565
44584,CCCc1csc(C(=O)NCCOc2ccc(OC)c(NC(=O)c3ccccc3)c2)n1,[*]CCOc1ccc(O[*])c([*])c1,0.020115254
44585,CCc1ccccc1C1CCN(c2cc(OCCC=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28040293
44586,CN(C)S(=O)(=O)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7267222
44587,CN(Cc1ccccc1)C(=O)c1cc2c(cc1OCc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5221177
44588,COCCOc1ccc(OC)c(-c2ccccc2OCC(F)(F)F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16164185
44589,COCc1cc2c(cc1Oc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73397195
44590,CONCc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67655474
44591,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1C#Cc1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.40241092
44592,COc1cc2c(cc1-c1ccccc1)C1Cc3cccc(F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.80715847
44593,COc1cc2c(cc1CCNC(C)=O)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5102396
44594,COc1cc2c(cc1O)C1Cc3cccc(C(=O)NCc4ccccc4C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44623813
44595,COc1cc2c(cc1O)CCN1Cc3c(C#N)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.85074574
44596,COc1cc2c(cc1OC)C1Cc3cccc(-c4cccc5[nH]c(C(=O)O)cc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47352186
44597,COc1cc2c(cc1OC)C1Cc3cccc(CNCc4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59968233
44598,COc1ccc(OCCCCOc2ccc(F)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.124416016
44599,COc1ccc(OCCF)cc1CN1CCN(C(=O)c2cccc(Cl)c2Cl)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.09182987
44600,COc1ccc(OCCN2CCC(CF)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5232793
44601,COc1ccc(OCCN2CCC(COc3ccc(F)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.65571576
44602,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5744639
44603,COc1ccc(OCCN2CCC(c3cccc(C(F)(F)F)c3)CC2)cc1SC(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5583477
44604,COc1ccc(OCCN2CCN(CCc3ccccc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.48327914
44605,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCC(CCc2ccc3c(c2)NC(=O)CC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.31582847
44606,COc1ccc(OCCNCCc2ccc(F)cc2)cc1NS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.15654916
44607,COc1cccc(CN2CCN(CCCc3cc(-c4ccco4)no3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57382786
44608,COc1cccc(COc2cc3c(cc2OC)C2Cc4cccc(-c5ccccc5OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52822036
44609,COc1ccccc1-c1cc(C(=O)NCCN2CCN(C)CC2)ccc1C=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35747662
44610,COc1ccccc1N1CCN(CCN2CCC(c3cc4ccc(F)cc4nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81338805
44611,CSc1ccc(C(C=O)N2CCN(COc3ccc(OCCF)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.20147425
44612,Cc1cc(OCCCn2c(O)cc3ccccc32)ccc1OCN1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.38089427
44613,Cc1cc(OCCN2CCC(NC(=O)c3cccs3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.54434943
44614,Cc1cc(OCCN2CCC(Oc3ccc(Cl)cc3)CC2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5512981
44615,Cc1cc(OCCN=S(C)(=O)O)ccc1OCn1ccc(Cc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.112917006
44616,Cc1cc(OCCN=S(C)(=O)c2ccccc2)ccc1OC1CCCN1,[*]CCOc1ccc(O[*])c([*])c1,0.13496639
44617,Cc1cc(OCCNCc2ccsc2)ccc1OOS,[*]CCOc1ccc(O[*])c([*])c1,0.17065291
44618,Cc1ccc(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1-c1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.24704756
44619,O=S(=O)(CCCN1CCN(Cc2cccc(Cl)c2)CC1)N1CCCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6975943
44620,OCCc1cccc(CN2CCN(CCCn3c(O)cc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7094659
44621,Oc1cccc2c1CN1CCc3cc(-c4ccc(O)c5ccccc45)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68275577
44622,C=S(O)(O)=NOc1ccc(OCCNCCc2ccc(OC3CCCCC3)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.15083136
44623,CC(=O)N1C(=O)C(CCCN2CCN(Cc3cccc(Cl)c3)CC2)Cc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6684849
44624,CCCCN1CCN(Cc2cccc(N3C(=O)Cc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.71795183
44625,CCCOc1ccc(OC)c(CN2CCN(S(C)(=O)=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30745766
44626,CCCOc1ccc(OS(C)(=O)=O)c(CC(C)Cc2ccc3c(c2)NC(=O)CO3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.106400385
44627,CCCOc1ccc(OS(C)(=O)=O)c(COCC(=O)N2c3ccccc3CC2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13285936
44628,CCCOc1ccc(OS(C)(=O)=O)c(Cn2cccc2CCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.088327944
44629,CCCOc1ccc(OS(C)(=O)=O)c(OCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.103414774
44630,CCCOc1ccc(OS(N)(=O)=O)c(N2CCCC(S(=O)(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16817541
44631,CCN(C)C(=O)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41729584
44632,CCNC(=O)Cc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38393277
44633,COCCOc1ccc(OC)c(C(O)COc2ccc3c(c2)NCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26081535
44634,COOc1ccc(OCCNCc2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.18232642
44635,COc1cc(C(=O)NCCN2CCN([N+](=O)[O-])CC2)ccc1-c1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.260763
44636,COc1cc2c(cc1-c1cc3cc(C#N)ccc3cn1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6017131
44637,COc1cc2c(cc1Cl)CCN1Cc3c(Cc4ccco4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6205087
44638,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(OCc5cccnc5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61963505
44639,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(F)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73061204
44640,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)Nc3ccc(C#N)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36766228
44641,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccncc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71817476
44642,COc1ccc(C(=O)NCCN2CCN(OS(C)(=O)=O)CC2)cc1-c1ccccc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.28039178
44643,COc1ccc(COc2cc3c(cc2O)C2Cc4cccc(C(C)C)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7061029
44644,COc1ccc(COc2cc3c(cc2OC)CCN2Cc4c(cccc4C(=O)OCc4ccccc4)CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42896217
44645,COc1ccc(OCCCSc2ccccc2C(C)C)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09471693
44646,COc1ccc(OCCF)cc1CNC(=O)c1ccc(OC)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.033702265
44647,COc1ccc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.55548984
44648,COc1ccc(OCCN=S(C)(=O)O)cc1CCc1ccc(OC2CCCCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.10676952
44649,COc1ccc(OCCN=S(C)(=O)O)cc1NC(=O)CCc1ccc2c(c1)CC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.051197417
44650,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(c2ccccc2F)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28193122
44651,COc1ccc(OCCO)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.81417984
44652,COc1cccc2c1CN1CCc3cc(-c4ccc(CO)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7475047
44653,COc1cccc2c1CN1CCc3cc(-c4ccco4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.695748
44654,COc1cccc2c1CN1CCc3cc(C(=O)Nc4ccc(C)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3117108
44655,COc1cccc2c1CN1CCc3cc(C[N+](=O)c4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.503377
44656,COc1cccc2c1CN1CCc3cc(OCC(N)=O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44594717
44657,COc1ccccc1N1CCN(CCCN2CCN(Cc3cccc(C#N)c3)CC2)C1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5584552
44658,COc1ccccc1N1CCN(CCN2CCC(CNCc3ccc4cccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8151102
44659,CSOc1ccc(OCCN2CCN(c3cc(F)ccc3C(C)=O)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5957814
44660,Cc1cc(OCCCCC2CCc3ccccc3C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.31572175
44661,Cc1cc(OCCN2CCC(Oc3ccc(CC4CCC(=O)N4)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5026989
44662,Cc1cc(OCCNC(=O)c2cccc(C3CCCN3)c2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.042960964
44663,Cc1cccnc1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76407546
44664,O=C(NC1CCN(CCN2CCN(c3ccccc3O)CC2)CC1)c1ccccc1F,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73662823
44665,O=C(c1ccc2ccc(O)nc2c1)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7081452
44666,O=C1CC1(CCCN1CCN(Cc2cccc(Cl)c2)CC1)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6579962
44667,O=c1oc2ccccc2cc1CCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7591026
44668,C=CCCOc1ccc(OC)c(CN2CCC(c3ccccc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.58586526
44669,CC(=O)N1CCC(CNOc2ccc(OCCNC(=O)OC3CCCCC3)cc2C)SC1,[*]CCOc1ccc(O[*])c([*])c1,0.03768477
44670,CC(=O)N1CCC(NOc2ccc(OCCNC(C)(C)C)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.090744786
44671,CCCOc1ccc(OCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c(OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33978054
44672,CCCOc1ccc(ON=S(C)(=O)O)c(OC2CCc3ccc(OCC(F)(F)F)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33842987
44673,CCCOc1ccc(ONC)c(NC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.025835468
44674,CCCOc1ccc(OOC)c(-c2ccccc2F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1601717
44675,CCCOc1ccc(OOC)c(CN2CCN(Cc3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.63353777
44676,CCCOc1ccc(OS(C)(=O)=O)c(Cc2ccc(OCCF)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09496677
44677,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Oc3ccc(C4CCCCC4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2651055
44678,CCOc1cc2c(cc1O)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69676673
44679,CCOc1cccc2c1CN1CCc3cc(O)c(OCc4ccc(C)cc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53102064
44680,CCc1cc(OCCCF)ccc1OCN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7211327
44681,CNc1cccc(-c2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55676997
44682,COC1CCN(CCN2CCN(c3ccccc3C34C=CC=CC3=NC(O)=N4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6360212
44683,COOc1ccc(OCCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.8282324
44684,COOc1ccc(OCCNC(=O)C2(C)CCc3ccccc3C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.06880471
44685,COc1cc(C(=O)NCCN2CCN([N+](=O)[O-])CC2)ccc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.21699305
44686,COc1cc2c(cc1C(=O)NCc1ccccc1)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4404203
44687,COc1cc2c(cc1C(=O)Nc1cccc3cccc(OC)c13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.2903972
44688,COc1cc2c(cc1CC1CCCC1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6977094
44689,COc1cc2c(cc1O)C1Cc3cccc(NC(=O)Nc4cccc([N+](=O)[O-])c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.2926594
44690,COc1cc2c(cc1OC)C1Cc3cccc(-c4cccc(Cl)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6673852
44691,COc1cc2c(cc1OC)C1Cc3cccc(Cc4cccnc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6441989
44692,COc1ccc(OCCC(C)Cc2ccccc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.07339212
44693,COc1ccc(OCCCCCc2ccc(F)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.119835
44694,COc1ccc(OCCN2CCC(Cc3ccc4ccccc4c3)CC2)cc1S(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.52073574
44695,COc1ccc(OCCN2CCC(Cc3cccs3)CC2)cc1S(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.45954022
44696,COc1ccc(OCCN2CCC(OCCc3ccccc3F)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.571194
44697,COc1ccc2c(c1)CC(CNCOc1ccc(OCCCF)cc1C)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.39826518
44698,COc1cccc(-c2ccc(CCCN3CCN(Cc4cccc(F)c4)CC3)cc2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55856293
44699,COc1ccccc1N1CCN(CCN2CCC(Oc3cc(F)c4ccc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6961512
44700,COc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3cnc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7931355
44701,Cc1cc(OCCN(C)S(C)(=O)=O)ccc1ON1CCC(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.26449087
44702,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)N(C)C(=O)CO3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.03592122
44703,Cc1cc(OCCNCCc2ccc3ccccc3c2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.22220343
44704,Cc1cccc(C2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6902478
44705,Cc1cccc(CN2CCN(CCCN3c4ccccc4CCS3(=O)=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7176192
44706,Cc1cccc(CN2CCN(CCCc3ccc4c(c3)NC(=O)CO4)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6154619
44707,NCc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7947304
44708,O=C1Nc2ccccc2S(=O)N1c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6603869
44709,O=S1(=O)CCc2ccccc2N1Cc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7695002
44710,Oc1nc(-c2ccc(Cl)cc2)cn1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75693077
44711,Sc1ccc2ccc(Cc3cccc(CN4CCN(CCCCl)CC4)c3)cc2n1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6219838
44712,Brc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7458369
44713,CCCCCCOc1ccc(OOC)c(CN2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7597767
44714,CCCOc1ccc(OF)c(NC(CC)c2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13468315
44715,CCCOc1ccc(OS(C)(=O)=O)c(CCCc2ccc(C)c3ccccc23)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1287927
44716,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCN(c3cccc(Cl)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2889843
44717,CCOc1ccccc1NCc1cc(OCCOC)ccc1OCNC(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.021487596
44718,CNOc1ccc(OCCNS(=O)(=O)c2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.039486658
44719,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccccc4)s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7270689
44720,COC1CCN(CCN2CCN(c3ccccc3C=Cc3ccc(C#N)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66399807
44721,COCCOc1ccc(ON2CCCC(Cc3ccccc3)C2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3358515
44722,CON1CCN(CCNC(=O)c2ccc(NC(C)=O)c(-c3ccccc3C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.16904676
44723,CON1CCN(CCNC(=O)c2ccc(S(C)(=O)=O)c(-c3ccccn3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.4066036
44724,COc1c([O-])cccc1-c1ccc(C(=O)NCCN2CCN(OC)CC2)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.24987026
44725,COc1cc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)ccc1-c1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.7849001
44726,COc1cc2c(cc1-c1c(C#N)cc3ccccc3c1O)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.714726
44727,COc1cc2c(cc1O)C1Cc3cccc(C=Cc4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7843316
44728,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCNCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6238565
44729,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)OCc4ccc(CO)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50327694
44730,COc1ccc(C(=O)Nc2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.43769097
44731,COc1ccc(OCCF)cc1CN1CCN(Cc2cccc(S(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.38494265
44732,COc1ccc(OCCN(C)C)cc1N1CCCC(Cc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.38003322
44733,COc1ccc(OCCN=CO)cc1N1CCN(c2ccccc2F)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28376865
44734,COc1ccc(OCCNC(C)=O)cc1CN1CCN(C(C)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.09103815
44735,COc1ccc(OCCNC(C)=O)cc1CS(=O)(=O)Cc1ccc(S(C)(=O)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.030153433
44736,COc1ccc(OCCS(C)(=O)=O)cc1NCC1CCCc2cccc(c2)OC1,[*]CCOc1ccc(O[*])c([*])c1,0.11722094
44737,COc1cccc(CN2CCN(CCCCNC(=O)C3(C)Cc4ccccc4C3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6012272
44738,COc1ccccc1Cc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7531352
44739,CS(=O)(=O)NOc1ccc(OCCOC2CCCCC2)cc1CCN1CCC(C(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4949046
44740,CSOc1ccc(OCCN2CCC(Cc3ccc4ccccc4c3)NC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.50539935
44741,CSOc1ccc(OCCNC(=O)Cc2ccc(OC3CCCCC3)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.02821405
44742,Cc1cc(OCCCC(=O)NC2CCC(C(=O)O)CC2)ccc1ON1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.06646537
44743,Cc1cc(OCCCCC(=O)N2CCc3ccccc3C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.123931654
44744,Cc1cc(OCCN2CCC(Cc3ccccc3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.59012806
44745,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)N=CC1Nc2ccccc2C(=O)N1c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.52990586
44746,O=C1COCN1CCC1CCN(CCN2CCN(c3ccccc3-n3c(O)cc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5619834
44747,O=S(=O)(NC1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1)c1cc(F)ccc1F,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7946332
44748,O=S(=O)(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1ccccc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5059966
44749,O=[N+]([O-])C1CCN(CCN2CCN(c3ccccc3-c3ccc(O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6389977
44750,Oc1cc2c(cc1Cl)CCN1Cc3c(cccc3C3CCCC3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60155123
44751,Oc1cccc(CN2CCN(CCCCNc3ccc4ccccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5992495
44752,Oc1cccc2c1CN1CCc3cc(Cc4ccccc4)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7876166
44753,Oc1nc(-c2ccccc2)oc1CCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7585944
44754,CCCOc1ccc(OCN2CCN(c3ccccc3OCC)CC2)c([N+](=O)[O-])c1,[*]CCOc1ccc(O[*])c([*])c1,0.48897302
44755,CCCOc1ccc(ONS(C)(=O)=O)c(CCOc2ccc(C(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07494458
44756,CCCOc1ccc(OOC)c(C(=O)COc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09512732
44757,CCCOc1ccc(OOC)c(N2CCC(Nc3ccccc3F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27568668
44758,CCCOc1ccc(OOC)c(NC(=O)c2ccc(OC)c3ccccc23)c1,[*]CCOc1ccc(O[*])c([*])c1,0.037286453
44759,CCCOc1ccc(OS(C)(=O)=O)c(Nc2ccccc2OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06824126
44760,CCON=Cc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6742212
44761,CCc1ccccc1C1CCN(c2cc(OCCN=S(C)(=O)O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20647013
44762,CCc1ccccc1OC1CCN(Oc2ccc(OCCS(N)(=O)=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2547797
44763,CNc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29187122
44764,CNc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5124419
44765,COC(=O)N1CCN(CCNC(=O)c2ccc(OC)c(-c3ccccc3OC)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.19384702
44766,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccc4c(c3)Cc3ccccc3-4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.48822886
44767,COc1cc2c(cc1O)C1Cc3cccc(C(=O)NCc4ccccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.509419
44768,COc1cc2c(cc1O)C1Cc3cccc(C(=O)OCc4ccc(OCc5ccccc5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49732757
44769,COc1cc2c(cc1O)C1Cc3cccc(C(C)OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.82615185
44770,COc1cc2c(cc1O)C1Cc3cccc(NC(=O)c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35361594
44771,COc1cc2c(cc1OC)C1Cc3cccc(-c4cccc([N+](=O)O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6403788
44772,COc1cc2c(cc1OC)C1Cc3cccc(Cn4cccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.700244
44773,COc1ccc(COCCc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7902668
44774,COc1ccc(OCCCN2CCC(c3cccc(C(=O)N4CCCCC4)c3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.33453494
44775,COc1ccc(OCCF)cc1CN1CCC(C(=O)c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.49926075
44776,COc1ccc(OCCN)cc1N1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4415865
44777,COc1ccc(OCCN2CCC(Cc3ccc4ccccc4n3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5433609
44778,COc1ccc(OCCN2CCCC(Cc3ccccc3)C2)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.44425768
44779,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(Cc2ccc3c(c2)C(OC)CCC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.36139932
44780,COc1ccc(OCCOC(C)=O)cc1CN1CCC(S(=O)(=O)c2ccc(C(C)C)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.26573426
44781,COc1ccc(OCCS(N)(=O)=O)cc1N1CCC(Oc2ccc(CC(F)(F)F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.25833383
44782,COc1cccc(CCNCCOc2ccc(ON)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2360342
44783,COc1cccc(CN2CCN(CCCc3ccc(-c4cc5ccccc5s4)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5723801
44784,COc1cccc2c1CN1CCc3cc(-c4cccc(C=O)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6306637
44785,COc1ccccc1N1CCN(CCN2CCC(C(=O)Nc3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6995016
44786,CS(=O)(=O)NOc1ccc(OCCF)cc1C1CCN(CCc2ccc(S(C)(=O)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5922973
44787,Cc1cc(OCCF)ccc1OCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7464927
44788,Cc1cc(OCCF)ccc1OCNCc1ccc(S(=O)(=O)N(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.04136096
44789,Cc1cc(OCCN2CCC(Cc3ccccc3N)CC2)ccc1OS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.534552
44790,Cc1cc(OCCNCC2C(=O)CCc3ccc(S(C)(=O)=O)cc32)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.18786347
44791,Cc1cc(OCCNS(=O)(=O)c2ccccc2)ccc1ON1CCC(O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.17127967
44792,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(c2ccc(CC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23094732
44793,Cc1ccc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)nn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7020266
44794,FCCCN1CCN(Cc2cccc(Cc3ccc4ccsc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.552403
44795,O=C(C#Cc1ccccc1)NC1CCN(CCN2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.56585985
44796,O=C1CC2(CCCC2)CC(=O)N1Cc1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58220994
44797,OCc1cc2c(cc1CO)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6329159
44798,OCc1ccc(COc2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69996613
44799,C#Cc1ccccc1-c1cc(C(=O)NCCN2CCN(C)CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.28348786
44800,C=S(C)(=O)OOc1ccc(OCCN2CCCC(Cc3ccccc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.36252403
44801,CC(=O)NOc1ccc(OCCCOc2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.047536112
44802,CC(C)CCCN1CCN(Cc2cccc(N3c4ccccc4CS3(=O)=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6739404
44803,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3cccc(C(F)(F)F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7231193
44804,CC1CCCC(c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)C1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57361346
44805,CCCNC(=O)Oc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48946348
44806,CCCOc1ccc(ON)c(CNc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09920306
44807,CCCOc1ccc(ON)c(N2CCC(CC(=O)c3ccccn3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27104133
44808,CCCOc1ccc(ONC=O)c(N2CCN(CCc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6822008
44809,CCCOc1ccc(ONS(C)(=O)=O)c(Oc2ccccc2CCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14547059
44810,CCCOc1ccc(OOC)c(NCc2ccccc2S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09428654
44811,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22715224
44812,CCCc1ccc(OC2CCN(c3cc(OCC[SH](C)(=O)O)ccc3OC)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.2344696
44813,COC(=O)c1ccc(COc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48647007
44814,COC1CCN(CCN2CCN(c3ccccc3-c3ncccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7581782
44815,COCc1cc2c(cc1OC)C1Cc3cccc(COCc4ccc(OC)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7903967
44816,CON=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6852031
44817,COOc1ccc(OCCNC(=O)COc2ccccc2SC)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.0145513415
44818,COc1cc2c(cc1C(=O)O)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5647257
44819,COc1cc2c(cc1O)C1Cc3cccc(CF)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.89501464
44820,COc1cc2c(cc1O)C1Cc3cccc(Cc4cc(C(=O)O)ccc4[N+](=O)[O-])c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3920809
44821,COc1cc2c(cc1OCC(C)(C)C)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8410691
44822,COc1ccc(C#N)c(-c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75076574
44823,COc1ccc(OCCC(N)=O)cc1N1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1790591
44824,COc1ccc(OCCC=S(C)O)cc1N1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4021724
44825,COc1ccc(OCCCS(=O)(=O)c2cccc(F)c2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.11884458
44826,COc1ccc(OCCF)cc1CN1CCN(C(=O)c2ccc(SC)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.0909383
44827,COc1ccc(OCCF)cc1NC=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.053991444
44828,COc1ccc(OCCN2CCC(C(=O)c3ccc(F)nc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.49973264
44829,COc1ccc(OCCN2CCC(Oc3ccc4c(c3)CCC(=O)NC4)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6131757
44830,COc1ccc(OCCN2CCCC(C(=O)c3ccc(F)cc3)C2)cc1NC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2158391
44831,COc1ccc(OCCS(C)(=O)=O)cc1-c1cc2c(cc1CC1CCCC1)NC(=O)C(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.28943938
44832,COc1ccc(OCCS(C)(=O)=O)cc1COC(=O)CCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.03239244
44833,COc1cccc(-c2cccc3c2CN2CCc4cc(O)c(CO)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5698071
44834,COc1cccc(CN2CCN(CCCCc3cc4ccccc4c(=O)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7185888
44835,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(C#N)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32524583
44836,COc1ccccc1N1CCN(CCN2CCC(Oc3ccc4c(c3)NC(=O)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.86487687
44837,Cc1cc(OCCOC(=O)CCc2ccc3c(c2)NC(=O)CC3)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.09558149
44838,Cc1ccc(-c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)c(C)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58239037
44839,Cc1cccc2c1CN1CCc3cc(-c4cccc(CO[O-])c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50986546
44840,Cc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5702914
44841,FC(F)(F)c1cccc(CN2CCN(CCCc3cccc(-c4ccccc4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6968885
44842,O=C(c1cccc(-c2cccc(CN3CCN(CCCN4CCCCC4)CC3)c2)c1)N1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.38454732
44843,CC(=O)NOc1ccc(OCCNC(=O)Cc2ccc3ccccc3c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.013043213
44844,CC1(C(=O)NCc2cccc(CN3CCN(CCCCl)CC3)c2)CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48953778
44845,CC1CCN(CCN2CCN(c3ccccc3-c3nc(O)ccc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.689516
44846,CC1CCN(CCN2CCN(c3ccccc3NC(=O)Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.35399967
44847,CCCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5602874
44848,CCCOc1ccc(OCN)c(C2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.41457233
44849,CCCOc1ccc(OF)c(N2CCC(NC(=O)c3ccc(C(C)C)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15565036
44850,CCCOc1ccc(OOC)c(COc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17891935
44851,CCCOc1ccc(OS(C)(=O)=O)c(NCCCc2ccc3ccccc3c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08771306
44852,CCCOc1ccc(OSC)c(-c2ccccc2OCC(F)(F)F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1685227
44853,CCOc1ccccc1-c1ccc(C(=O)NCCN2CCN(O)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2881295
44854,CCOc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccc(Cl)cc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8256083
44855,CCOc1ccccc1N1CCN(CCN2CCC(n3cc(F)ccc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8281606
44856,CCc1ccc(Cc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7445175
44857,CNc1ccc(OC)c(C(=O)NCc2cc(OCCCF)ccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.026255533
44858,CNc1ccccc1OCC(F)Oc1ccc(OCCOC)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.06505762
44859,COC1CCN(CCN2CCN(c3ccccc3-c3cc(-c4ccccc4)cc(O)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78078187
44860,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4c(c3)-c3ccccc3CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83138597
44861,COCCCN1CCN(Cc2cccc(C3=Cc4ccccc4S3(=O)=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57004696
44862,COCCCN1CCN(Cc2cccc(Cc3ccc(F)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5415717
44863,COCCOc1ccc(OCNC(=O)c2ccccc2OC)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.028364697
44864,CONCc1cc2c(cc1OC)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5250509
44865,COOc1ccc(OCCOCCc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.20749618
44866,COc1cc2c(cc1NC(=O)OCc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3211485
44867,COc1cc2c(cc1O)C1Cc3cccc(-c4cccc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71075267
44868,COc1cc2c(cc1OC)C1Cc3cccc(Cc4cccc([N+](=O)[N+](=O)[O-])c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48903662
44869,COc1ccc(Cc2cccc3c2CN2CCc4cc(O)c(CO)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6336954
44870,COc1ccc(OCCN2CCC(C(=O)c3ccccc3F)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4721626
44871,COc1ccc(OCCN2CCC(C(=O)c3ccccc3F)CC2)cc1[N+](=O)[O-],[*]CCOc1ccc(O[*])c([*])c1,0.51251847
44872,COc1ccc(OCCN=S(C)(=O)O)cc1NC(=O)CCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.06593137
44873,COc1ccc(OCCNC(=O)Cc2ccc3c(c2)N(C)C(=O)CC3)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.076960556
44874,COc1ccc(OCCNC(=O)c2ccccc2)cc1S(C)(=O)=CN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.07231281
44875,COc1ccc(OCCNS(C)(=O)=O)cc1CCOc1ccc2c(c1)CCC(=O)N2,[*]CCOc1ccc(O[*])c([*])c1,0.14170355
44876,COc1cccc(C[N+](=O)Cc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64530945
44877,COc1cccc2c1CN1CCc3cc(C(=O)Nc4cccc(C)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.33740026
44878,COc1cccc2c1CN1CCc3cc(OCc4ccccc4)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7442321
44879,COc1ccccc1Cc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7895815
44880,CSOc1ccc(OCCCN2CCC(Oc3ccc(C)cc3)C2=O)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.17241994
44881,Cc1cc(OCCN(C)S(C)(=O)=O)ccc1OOCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.18454124
44882,Cc1cc(OCCN2CCC(Cc3ccc4ccccc4n3)CC2)ccc1OCS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.44084695
44883,Cc1cc(OCCN2CCC(Oc3ccc(F)cc3)CC2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.6016762
44884,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCCC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.09870927
44885,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCN(c2ccc(OCC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19593202
44886,Fc1cccc(CN2CCN(CCCC3CCc4ccccc4C3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7320271
44887,N#Cc1cccc(Cc2cccc3c2CN2CCc4cc(O)c(Cl)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6450668
44888,O=[N+]([O-])C1CCN(CCN2CCN(c3ccccc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6274193
44889,O=c1c(-c2cccc(CN3CCN(CCCCl)CC3)c2)coc2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61113775
44890,C=COc1ccc(OCCC)cc1N1CCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.304401
44891,CC(C)(C)c1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7655564
44892,CC1CCN(CCN2CCN(c3ccccc3-c3cnc(O)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7662184
44893,CCC(=O)Nc1cc2c(cc1O)C1Cc3cccc(Br)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34563407
44894,CCCCc1ccc(F)c(-c2cc(OCCC)ccc2OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0828869
44895,CCCNC(=O)Oc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49094132
44896,CCCOc1ccc(OC)c(NS(=O)(=O)c2cc(C)ccc2CC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.051160935
44897,CCCOc1ccc(OCCCCc2ccc3c(c2)NC(=O)CC3)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30607283
44898,CCCOc1ccc(OCN)c(N2CCCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31910262
44899,CCCOc1ccc(ON)c(N2CCC(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2542702
44900,CCCOc1ccc(ON2CCCC(CCc3noc4cc(F)ccc34)C2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.330053
44901,CCCOc1ccc(ON2CCN(c3ccc(F)cc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3165694
44902,CCCOc1ccc(ON2CCN(c3ccccc3OCCF)CC2)c(C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38871795
44903,CCCOc1ccc(OOC)c(NC(=O)c2ccc(N(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.034151297
44904,CCCOc1ccc(OOS(C)(=O)=O)c(CCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10999208
44905,CCCOc1ccc(OS(N)(=O)=O)c(CN2CCC(O)(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.55340135
44906,CCN(Cc1ccccc1)Cc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7530262
44907,COC(=O)c1ccn(-c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6960954
44908,COC1CCN(CCN2CCN(c3ccccc3-c3cc(-c4ccc(Cl)cc4)ccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8189754
44909,COC1CCN(CCN2CCN(c3ccccc3CCNC(=O)c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7727131
44910,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccc4nccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4510146
44911,COCCCN1CCN(Cc2cccc(-c3ccc4[nH]c(S)nc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58167905
44912,COCCCN1CCN(Cc2cccc(-c3cccc(NC(C)=O)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.29440212
44913,COCCCN1CCN(Cc2cccc(C3OCCc4c(O)cccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4980183
44914,COCc1ccc(COc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7204349
44915,COOc1ccc(Cc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70538473
44916,COOc1ccc(OCCNCc2cc(C=O)co2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.10279769
44917,COOc1ccc(OCCNS(=O)(=O)c2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.04524533
44918,COc1cc(C(=O)NCCN2CCN(O)CC2)ccc1-c1c(OC)cccc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.24164124
44919,COc1cc2c(cc1O)C1Cc3cccc(COc4cccc(C=O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6988326
44920,COc1ccc(OCCC(C)=O)cc1Cc1ccccc1F,[*]CCOc1ccc(O[*])c([*])c1,0.031751707
44921,COc1ccc(OCCN2CCC(Oc3ccc(SC)cc3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4319888
44922,COc1ccc(OCCN2CCC(S(C)(=O)=O)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.55314976
44923,COc1ccc(OCCN2CCC(c3ccc(C(C)C)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5733508
44924,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC2(CCc3ccccc3C2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29281458
44925,COc1ccc(OCCNS(=O)(=O)c2ccc(CF)c(F)c2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.066969685
44926,COc1ccc(OCCNS(=O)(=O)c2ccccc2F)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.11032646
44927,COc1cccc(CN2CCN(CCCCc3ccccc3N3C(=O)c4ccccc4S3(=O)=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70919687
44928,COc1cccc(Cc2cccc3c2CN2CCc4cc(OC)c(CO)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55534524
44929,COc1cccc2c1CN1CCc3cc(-c4ccccc4)c(C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62139577
44930,COc1ccccc1-c1cc(C(=O)NCCN2CCN(OC(C)=O)CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33008087
44931,Cc1cc(OCCNS(=O)(=O)Cc2cccc(Cl)c2)ccc1ON1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.25479513
44932,Cc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1ccccc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2783454
44933,Cc1cccc(CN2CCN(CCCCNS(=O)(=O)c3cccc(C(N)=O)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.52677476
44934,O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.30500364
44935,CC(=O)N(CCCCN1CCN(Cc2cccc(Cl)c2)CC1)C1CCCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6276466
44936,CCCOc1ccc(ON)c(NC(=O)Cc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07793446
44937,CNC=S(=O)(O)CCOc1ccc(OC)c(CCCc2ccc3c(c2)C(=O)CCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15706633
44938,COC(=O)c1cccc(C2CCN(CCOc3ccc(OSC)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.49377337
44939,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(Oc4cccnc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76956624
44940,COC1CCN(CCN2CCN(c3ccccc3-n3cc(N)c4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72933877
44941,COCCCN1CCN(Cc2cccc(N3C(=O)CCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7103995
44942,COCCCN1CCN(Cc2cccc(NC(=O)C(C)(C)C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.28901714
44943,COCCOc1ccc(OC)c(N2CCN(c3ccccc3Cl)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3782833
44944,COCCOc1ccc(ON2CCN(c3ccccc3Cl)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32771972
44945,CON=Cc1ccc(-c2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61048883
44946,COc1cc(C(=O)NCCN2CCN(C)CC2)ccc1-c1ccccn1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2894051
44947,COc1cc(C(=O)NCCN2CCN(O)CC2)ccc1-c1cccc(Cl)c1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2894174
44948,COc1cc2c(cc1C(C)=O)CCN1Cc3c(cccc3Nc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3211376
44949,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(COc5ccccc5)cc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6111796
44950,COc1cc2c(cc1O)C1Cc3cccc(N(C)c4ccc(C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7050516
44951,COc1cc2c(cc1O)C1Cc3cccc(N4CCCCC4OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49153078
44952,COc1cc2c(cc1O)C1Cc3cccc(OCC4CCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69589454
44953,COc1cc2c(cc1O)CCN1Cc3c(cccc3N3CCCCC3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.491207
44954,COc1cc2c(cc1OC)C1Cc3cccc(NCc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45130718
44955,COc1ccc(CNCCOc2ccc(ON=S(C)(=O)O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.15017681
44956,COc1ccc(OCCC(F)CCc2ccc3c(c2)NC(=O)CC3)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.24635854
44957,COc1ccc(OCCC2CCN(c3ccccc3OC)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.42198697
44958,COc1ccc(OCCCCCc2ccc3c(c2)NC(=O)CCC3)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.20250732
44959,COc1ccc(OCCN2CCC(c3ccccc3)CC2)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.60348135
44960,COc1ccc(OCCN2CCN(c3ccccc3C(C)C)C2=O)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.27723423
44961,COc1ccc(OCCOC(C)C)cc1NS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.0620259
44962,COc1ccc(OCCS(C)(=O)=O)cc1N1C(=O)CCc2cc(OCC3CCCCC3)ccc21,[*]CCOc1ccc(O[*])c([*])c1,0.15610561
44963,COc1ccc(OCCc2ccc(SC)cc2)cc1C(=O)N1CCC(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.099885695
44964,COc1ccc2c(ccn2-c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71572155
44965,COc1ccc2cccc(-c3ccc(C(=O)NCCN4CCN(OC)CC4)cc3OC)c2c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27144498
44966,COc1cccc(CN2CCN(CCCCNC3CCc4ccc(OC)cc4C3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65423685
44967,COc1cccc(CN2CCN(CCCCc3cc(-c4ccccc4)co3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.695313
44968,COc1cccc(CN2CCN(CCCn3cccc3OC)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61430705
44969,COc1cccc2c1CN1CCc3cc(-c4ccc(F)c(F)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7036201
44970,COc1cccc2c1CN1CCc3cc(C#Cc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7131849
44971,COc1ccccc1C1CCN(CCCOc2ccc(OS(=O)(=O)O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.59540504
44972,CSCCOc1ccc(ON2CCC(Cc3ccc(F)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34614238
44973,CSOc1ccc(OCCNC(=O)COc2ccc(C(F)(F)F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.02337494
44974,Cc1cc(OCCN2CCC(CNCc3ccc(F)cc3)C2=O)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.34151432
44975,ClCCCN1CCN(Cc2cccc(C3CCc4ccccc4N3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70164275
44976,N#Cc1ccccc1N1CCN(CCN2CCC(c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8982936
44977,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)N1c2ccccc2CS1(=O)=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6806408
44978,O=S(=O)(NCc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1ccc(F)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70391893
44979,OCCc1cccc2c1CN1CCc3cc(O)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7574712
44980,Oc1cc2c(cc1O)C1Cc3cccc(-c4cccc(Cl)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6220857
44981,C=Cc1ccccc1OC1CCN(Oc2ccc(OCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3590162
44982,CCCNC(=O)c1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56370205
44983,CCCOc1ccc(OC=O)c(CF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.072386056
44984,CCCOc1ccc(OCCCc2ccc3c(c2)NC(=O)CC3)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.291491
44985,CCCOc1ccc(OF)c(C=CCN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7094983
44986,CCCOc1ccc(ONC(C)=O)c(CN2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.68532914
44987,CCCOc1ccc(ONC=O)c(NCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.081108354
44988,CCCOc1ccc(OOC)c(C2CC(c3ccccc3)CCN2C(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15729171
44989,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC3CCC(Cc4ccc(SC(F)(F)F)cc4)(C3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20880273
44990,CCCc1cccc2c1CN1CCc3cc(OC)c(CO)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6857675
44991,CCNc1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49424517
44992,CCOc1ccccc1NC1CCN(c2cc(OCCOC)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25519773
44993,CCc1ccc2c(c1)CC(CNc1cc(OCCC(N)=O)ccc1OC)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.23793285
44994,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccc(Oc4ccccc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4774356
44995,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.46591735
44996,COCCOc1ccc(OC)c(CNC(=O)c2ccc3c(c2)CCC(=O)N3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10934463
44997,COOc1ccc(OCCCCOc2ccccc2OC)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.10148802
44998,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1cccc(C)c1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.22333579
44999,COc1cc2c(cc1-c1ccc(COc3ccccc3)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6399593
45000,COc1cc2c(cc1CO)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7435791
45001,COc1cc2c(cc1O)C1Cc3cccc(C(=O)Oc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5618485
45002,COc1ccc(CN2CCN(Oc3ccc(OCCS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.41605046
45003,COc1ccc(Nc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4109167
45004,COc1ccc(OCCC(N)=O)cc1CNC(=O)c1ccc(N2CCCCC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.059322275
45005,COc1ccc(OCCCCc2ccccc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.109076515
45006,COc1ccc(OCCF)cc1NS(=O)(=O)c1ccc(CC(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.03686727
45007,COc1ccc(OCCN2CCCC(c3ccccc3OC3CCC3)C2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.6694622
45008,COc1ccc(OCCNC(=O)c2cccc(C(F)(F)F)c2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.033858236
45009,COc1ccc(OCCS(C)(=O)=O)cc1C(O)COc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.20939152
45010,COc1ccc(OCCS(C)(=O)=O)cc1C1CCc2ccc(CC(F)(F)F)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.38640815
45011,COc1ccc(OCCS(C)(=O)=O)cc1N1CC(OCc2ccc(F)cc2)CCC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.20045647
45012,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(c2ccc(C(C)C)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.23402564
45013,COc1ccc(OCC[SH](C)(=O)O)cc1CC(C)Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.05972099
45014,COc1cccc(CCc2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7157099
45015,COc1cccc(CN2CCN(CCCCc3oc(-c4ccccc4)nc3O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66799045
45016,COc1cccc2c1CN1CCc3cc(C(C)O)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60836834
45017,COc1ccccc1-c1cccc2c1CN1CCc3cc(OCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5248875
45018,COc1ccccc1C1CCCC(c2cc(OCCOS(C)(=O)=O)ccc2OC)C1,[*]CCOc1ccc(O[*])c([*])c1,0.22345546
45019,COc1ccccc1N1CCN(CCOc2ccc(ONC(C)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.81579083
45020,Cc1cc(OCCC(C)COc2ccccc2)ccc1ON1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.19701692
45021,Cc1cc(OCCN=S(C)(=O)O)ccc1ONCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.05130121
45022,Cc1cc2c(cc1-c1cccc(C(F)(F)F)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6550315
45023,Cc1ccc(C(=O)NC2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)s1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6582355
45024,FC1CCN(CCN2CCN(c3ccccc3-c3cc(-c4ccccc4)ccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78799987
45025,O=C(CCCN1CCN(Cc2cccc(F)c2)CC1)N1CCCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.52444535
45026,c1cc(Cc2cc3ccccc3o2)cc(CN2CCN(CCCN3CCCCC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63673705
45027,CC(C)c1ccccc1N1CCN(CCN2CCC(c3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73037064
45028,CCCOc1ccc(OCN)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09057421
45029,CCCOc1ccc(OOC)c(CN2CCN(c3ccc(OC)c(C(C)C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6230246
45030,CCCOc1ccc(OOC)c(CNC(=O)c2cccc(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.017178599
45031,CCCOc1ccc(OS(C)(=O)=O)c(C(F)Cc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.058006093
45032,CCOc1ccc(CCOc2ccc(OOC)c(C)c2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.058938764
45033,CCOc1ccccc1N1CCN(Oc2ccc(OCCNS(C)(=O)=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28106079
45034,CNC(=O)CCOc1ccc(OC)c(NCC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.009281521
45035,CNCc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c(OC)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5646145
45036,COC1CCN(CCN2CCN(c3ccccc3N3C=C(C(F)(F)F)Oc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7426597
45037,COCCOc1ccc(OC)c(CCCn2ccccc2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21624805
45038,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1CO[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.22219257
45039,COc1cc2c(cc1-c1cccc(CN(C)C)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7438796
45040,COc1cc2c(cc1Cl)CCN1Cc3c(Cc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6453891
45041,COc1cc2c(cc1O)C1Cc3cccc(-c4c(C(C)=O)ccc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48640165
45042,COc1cc2c(cc1O)CCN1Cc3c(C=Cc4ccc(C#N)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79218405
45043,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(COC(F)(F)F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6717411
45044,COc1cc2c(cc1S(=O)(=O)c1ccc(CO)cc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48307055
45045,COc1ccc(N2CCN(CCNC(=O)c3ccc(OC)c(C)c3)CC2)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.5723177
45046,COc1ccc(OCCC(F)CCc2ccc3c(c2)CC(=O)CC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.19102745
45047,COc1ccc(OCCC(N)=O)cc1NCCCc1ccco1,[*]CCOc1ccc(O[*])c([*])c1,0.044220045
45048,COc1ccc(OCCCc2ccc(OS(C)(=O)=O)cc2)cc1N1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.28370106
45049,COc1ccc(OCCF)cc1NS(=O)(=O)c1ccc(C(C)C)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.057124514
45050,COc1ccc(OCCN(C)C)cc1NCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.17311172
45051,COc1ccc(OCCN=S(C)(=O)O)cc1C(C)Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.069580145
45052,COc1ccc(OCCNC(C)=O)cc1NS(=O)(=O)Cc1ccc(C(C)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.01906194
45053,COc1ccc(OCCS(C)(=O)=O)cc1COCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.09849841
45054,COc1ccc2nc(O)n(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)c2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6365016
45055,COc1ccc2oc(C(=O)c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)cc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.54252815
45056,COc1cccc(CN2CCN(CCCC(=O)c3ccc4c(c3)C(=O)N(c3ccccc3)C4=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53173614
45057,COc1cccc(CN2CCN(CCCC3Cc4ccccc4-c4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70357275
45058,COc1cccc2c1CN1CCc3cc(-c4ccc(CO)cn4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6099809
45059,COc1ccccc1N1CCN(CCN2CCC(c3ccc4cccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85322237
45060,CSc1ccc(C(=O)NCCOc2ccc(OCCCc3ccccc3)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06786928
45061,Cc1cc(OCCC(C)Cc2ccc3c(c2)NC(=O)CC3)ccc1ON(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13299832
45062,Cc1cc(OCCCOc2ccc(C(C)C)cc2)ccc1ON1CCN(C)CS1,[*]CCOc1ccc(O[*])c([*])c1,0.23960193
45063,Cc1cc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)ccc1OOS(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.66538674
45064,Cc1cc(OCCN2CCCC(Cc3ccc(F)cc3)C2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.43787393
45065,Cc1cc(OCCNCCc2ccc(F)cc2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16907668
45066,FCCCN1CCN(Cc2cccc(C3CCCCC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.75260216
45067,Fc1ccccc1N1CCN(CCN2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70950234
45068,O=C(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1cccc2ccccc12,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4433935
45069,O=C1C=C(c2ccccc2)C(=O)N1Cc1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62140703
45070,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3cc(C(F)(F)F)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8248318
45071,CCCN=S(O)(O)=Nc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7186524
45072,CCCOc1ccc(OC)c(CN2CCCC(CNC(=O)c3ccc(Cl)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24613199
45073,CCCOc1ccc(OCN2CCC(c3cc(C)on3)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3856757
45074,CCCOc1ccc(OCN2CCC(c3ccccc3)CC2)c(NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.48065892
45075,CCCOc1ccc(OCN2CCN(c3ccccc3OCC)CC2)c(COCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.68099767
45076,CCCOc1ccc(ON2CCC(c3ccccc3OC3CCCC3)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40630388
45077,CCCOc1ccc(ON=S(C)(=O)O)c(CCCc2ccc3c(c2)CCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20961118
45078,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23942778
45079,CCCOc1ccc(OS(C)(=O)=O)c(CCCc2ccoc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.077497706
45080,CCCOc1ccc(OS(N)(=O)=O)c(N2CCCC(COc3ccc4c(c3)NC(=O)CC4)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28977346
45081,CCCOc1ccc(OSC)c(N2CCC(NC(=O)c3ccc(-c4ccccc4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15190318
45082,CCCOc1ccc(OSC)c(NCc2cccc(Cl)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05287018
45083,CCCOc1ccc(Oc2ccc(OCCF)cc2)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8464812
45084,CCOC(=O)NCc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41451725
45085,CCOc1ccccc1N1CCCN(Cc2cc(OCCc3ccc(F)cc3)ccc2OOC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.75308955
45086,CCOc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8418344
45087,CN(C)Cc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7758469
45088,COc1cc2c(cc1CNC(=O)c1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4671846
45089,COc1cc2c(cc1O)C1Cc3cccc(-c4cc(F)cc(F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73268676
45090,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc(C)[nH]4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7910144
45091,COc1cc2c(cc1OS(=O)(=O)C(F)(F)F)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71314913
45092,COc1cc2c(cc1Oc1ccccc1)C1Cc3cccc(C(C)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46885836
45093,COc1ccc(C2CCN(CCN3CCN(c4ccccc4[N+](=O)[O-])CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.58593035
45094,COc1ccc(CNC(=O)c2cc3c(cc2OC)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46772516
45095,COc1ccc(OCCN=S(C)(=O)O)cc1CCCc1ccc(O)o1,[*]CCOc1ccc(O[*])c([*])c1,0.046830673
45096,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(CCc2ccc3c(c2)NC(=O)CC3=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2656627
45097,COc1ccc(OCCS(N)(=O)=O)cc1N1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.30830577
45098,COc1ccc(OCCc2cccc(C3CCCCC3)n2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.11703253
45099,COc1ccc2ccc(OC3CCN(CCN4CCN(c5ccccc5OC)CC4)CC3)cc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.786671
45100,COc1cccc(CN2CCN(CCCC3Cc4ccccc4C(=O)N3c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6155059
45101,COc1cccc(CN2CCN(CCCc3cc4ccccc4oc3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6532891
45102,COc1cccc2c1CN1CCc3cc(-c4cccc(O)c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68284136
45103,COc1cccc2c1CN1CCc3cc(OC(C)c4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6263446
45104,CS(=O)(=O)NOc1ccc(OCCF)cc1C(=O)COc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.20896944
45105,CSc1cccc(CN2CCN(CCCCN3C(=O)CCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.78696495
45106,Cc1cc(OCCCN2CCC(Cc3ccccc3)CC2)ccc1ON1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.4950408
45107,Cc1cc(OCCN)ccc1ONCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.09853933
45108,Cc1cc(OCCN2CCC(NS(=O)(=O)c3ccc(F)c(F)c3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.59398276
45109,Cc1cc2c(cc1-c1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6671746
45110,Clc1cccc(CN2CCN(CCCCC3CCCCC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65863
45111,FC(F)(F)CCCN1CCN(Cc2cccc(Oc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6039515
45112,O=C(NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)c1ccc2cccnc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8365691
45113,O=C1C=C(CCCN2CCN(Cc3cccc(Cl)c3)CC2)C(=O)C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6394093
45114,O=C1CCCCN1c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43625644
45115,C=Cc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75951564
45116,CC(=O)NOc1ccc(OCCN2CCN(Cc3cccc4ccccc34)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.26955068
45117,CCCOc1ccc(OC)c(CNCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17718132
45118,CCCOc1ccc(OCN2CCC(c3ccccc3OCC)CC2)c(N)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6366383
45119,CCCOc1ccc(ON2CCN(c3ccc(F)cc3)CC2)c(CS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22116038
45120,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCCC(COc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3218552
45121,CCCOc1ccc(ONS(C)(=O)=O)c(NC(=O)COc2cc3c(cc2F)CCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.057321932
45122,CCCOc1ccc(OOC)c(CCNC(=O)c2cc(N3CCCCC3)ccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11495867
45123,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCC(Oc3ccc(CC4CCCC4)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22062987
45124,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCN(c3ccc(OCC(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2686494
45125,CCCOc1ccc(OS(C)(=O)=O)c(Cc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09132027
45126,CCOc1cccc(CN2CCN(CCCCc3cccs3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6161387
45127,CCc1ccccc1OC1CCC(NCCOc2ccc(ON)c(C)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.13735339
45128,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4ncc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6608768
45129,COCCCN1CCN(Cc2cccc(C3Cc4c(cccc4OC)NC3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49282953
45130,COc1cc2c(cc1-c1cccc([N+](N)=O)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58425915
45131,COc1cc2c(cc1O)C1Cc3cccc(C4CCC(O)C4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.84323925
45132,COc1cc2c(cc1O)C1Cc3cccc(COc4ccc5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.81102425
45133,COc1cc2c(cc1OC)C1Cc3cccc(-c4c(CO)ccc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6585327
45134,COc1ccc(C(=O)C2CCN(S(=O)(=O)Cc3cc(OCCCF)ccc3OC)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.17753138
45135,COc1ccc(OCCC2CNC(=O)C2)cc1NS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.10063721
45136,COc1ccc(OCCCCNC(=O)c2ccc(C=O)cc2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.058478862
45137,COc1ccc(OCCN2CCC(Cc3ccc(F)c(F)c3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5903971
45138,COc1ccc(OCCN2CCC(c3ccccc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5842811
45139,COc1ccc(OCCNC=O)cc1NCC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.31310287
45140,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(C(=O)COc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25043306
45141,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Cc2ccc(F)cc2)CC1C,[*]CCOc1ccc(O[*])c([*])c1,0.26166907
45142,COc1ccc2cnc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)cc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7131581
45143,COc1cccc(-c2ccccc2N2CCN(CCN3CCC([N+](=O)[O-])CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.621426
45144,COc1cccc(CN2CCN(CCCC3CC(=O)c4ccccc4N3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59466624
45145,COc1cccc2c1CN1CCc3cc(-c4ccsc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77177143
45146,COc1ccccc1N1CCN(CCN2CCC(c3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9039517
45147,COc1ccccc1N1CCN(Oc2ccc(OCCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3416835
45148,Cc1cc(C(=O)NCCN2CCN(O)CC2)ccc1-c1ccccc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.25711673
45149,Cc1cc(OCCN2CCC(c3cccc(C(=O)N4CCCCCC4)c3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.28599352
45150,Cc1cc(OCCN2CCCC(Cc3ccc(F)cc3)C2)ccc1ONS(=O)(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.42550763
45151,Cc1ccccc1N1CCN(CCN2CCC(Oc3ncc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7346288
45152,Cc1ccccc1N1CCN(CCN2CCC(n3c(O)nc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64749026
45153,FCCCN1CCN(Cc2cccc(-c3coc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69532275
45154,Fc1cccc(CN2CCN(CCCc3cccc(-c4cccs4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6503835
45155,O=C1C(CCCN2CCN(Cc3cccc(Cl)c3)CC2)=CCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6136117
45156,Oc1ccccc1N1CCN(CCN2CCC(c3cn(-c4ccccc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70477706
45157,CC=Cc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8316325
45158,CCCOc1ccc(ON)c(CN2CCN(C(C)c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.41509882
45159,CCCOc1ccc(ON)c(N2CCC(CNC(=O)c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19883773
45160,CCCOc1ccc(ON=S(C)(=O)O)c(CCOc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21030624
45161,CCCOc1ccc(OOC)c(NS(=O)(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04844681
45162,CCCOc1ccc(OS(C)(=O)=O)c(CCCc2ccc(C(C)C)cn2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08673342
45163,CCOCCCN1CCN(Cc2cccc(C(=O)N3c4ccccc4CC3C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63753545
45164,CCc1cccc2c1CN1CCc3cc(O)c(COC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65536976
45165,CN1c2ccccc2CC(c2cccc(CN3CCN(CCCF)CC3)c2)S1(=O)=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.770373
45166,CNc1cc2c(cc1O)CCN1Cc3c(Cc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.513096
45167,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(N(C)C)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7971583
45168,COCCCN1CCN(Cc2cccc(C(=O)N3C(C)Cc4ccccc4C3C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63521695
45169,COCCOc1ccc(ONC(=O)COc2ccccc2SC)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.013511815
45170,COc1cc2c(cc1-c1cccc(C)c1)CCN1Cc3c(CO)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64665854
45171,COc1cc2c(cc1O)C1Cc3cccc(C=CCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7417344
45172,COc1cc2c(cc1O)C1Cc3cccc(C[N+](=O)c4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5432768
45173,COc1cc2c(cc1O)C1Cc3cccc(OCc4cccc(CO)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7202083
45174,COc1cc2c(cc1O)CCN1Cc3c(C=Cc4ccccc4OC)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7993451
45175,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc(CON)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7034662
45176,COc1cc2c(cc1OC)C1Cc3cccc(C=NOCc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71594447
45177,COc1cc2c(cc1OCc1ccc(C)cc1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54573643
45178,COc1ccc(Cc2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8139777
45179,COc1ccc(OCCC(=O)NCc2ccccc2)cc1CF,[*]CCOc1ccc(O[*])c([*])c1,0.031071955
45180,COc1ccc(OCCCN2CCC(c3cccc(C(F)(F)F)c3)CC2)cc1SC(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.708678
45181,COc1ccc(OCCCNS(=O)(=O)c2cc(C(C)C)ccc2F)cc1N1CCNC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.16328672
45182,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(Cc2ccc3c(c2)NC(=O)CCC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.33741936
45183,COc1ccc(OCCOS(C)(=O)=O)cc1Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.08864071
45184,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(O)CC2)cc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33529162
45185,COc1ccccc1C1CCN(CCOc2ccc(OC(C)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5520515
45186,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cc4ccccc4nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85186005
45187,COc1ccccc1N1CCN(CCN2CCC(c3ccc4ccc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85286266
45188,COc1cccnc1Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4939675
45189,CS(=O)(=O)c1ccccc1N1CCN(CCN2CCC(c3n[nH]c4cc(F)ccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71691364
45190,Cc1cc(OCCCCc2ccc(F)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.074605286
45191,Cc1cc(OCCF)ccc1OCN1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.53493947
45192,Cc1cc(OCCNC(=O)c2ccc(F)cc2)ccc1OC(=O)N(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.019902902
45193,Cc1cc(OCCS(C)(=O)=O)ccc1OOc1ccc(CC(F)(F)F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06340876
45194,Cc1cccc(CN2CCN(CCCCc3cnc(-c4ccccc4)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6562403
45195,FCCOc1cccc(CN2CCN(CCCSc3ccc(F)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.588904
45196,N#Cc1ccc(C2CCN(CCN3CCN(c4ccccc4F)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72074664
45197,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)C1CCc2ccccc2C1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7180152
45198,O=C(NCCCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1cccs1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67763025
45199,O=C(c1cccs1)N(Cc1cccc(CN2CCN(CCCCl)CC2)c1)C1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5315866
45200,Oc1cc(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)c2ccccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8225652
45201,C#Cc1ccccc1N1CCN(CCN2CCC(n3cc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8657267
45202,CC(C)c1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7109458
45203,CCC(c1ccc(F)cc1)c1cc(OCCS(C)(=O)=O)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.092611246
45204,CCCOc1ccc(OCCOc2cccc(F)c2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1197213
45205,CCCOc1ccc(ON2CCC(c3ccco3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3565781
45206,CCCOc1ccc(ON2CCN(CCc3ccccc3)CC2)c(OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.52889997
45207,CCCOc1ccc(ON=S(C)(=O)O)c(CCC2CCc3ccccc3C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18680976
45208,CCCOc1ccc(ON=S(C)(=O)O)c(NCCc2cc3ccccc3s2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06948447
45209,CCCOc1ccc(OOC)c(N2CCC(c3cccc(OC)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.44683266
45210,CCCOc1ccc(OSC)c(NC(=O)COc2ccc(C(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.006852386
45211,CCOc1cc2c(cc1OC)CCN1Cc3c(Cc4cccc5ccccc45)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63206613
45212,CCc1ccc(Cl)cc1S(=O)(=O)Nc1cc(OCCF)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.064435385
45213,COC1CCN(CCN2CCN(c3ccccc3-c3cc4ncccc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76963973
45214,COC1CCN(CCN2CCN(c3ccccc3Cn3cc(-c4ccccc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71866345
45215,CON1CCN(CCNC(=O)c2ccc(C)c(-c3ccco3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.21233591
45216,CON1CCN(CCNC(=O)c2ccc(Cl)c(-c3ccccc3C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2973605
45217,COOc1ccc(OCCN2CCC(c3cc(C(C)=O)ccc3C=O)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5220797
45218,COc1cc(C(=O)NCCN2CCN(O)CC2)ccc1-c1cccc(OC)c1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27774647
45219,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccccc4Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7258456
45220,COc1cc2c(cc1O)CCN1Cc3c(Cc4cccc(O[O-])c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59686375
45221,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3ccccc3C#N)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73776704
45222,COc1ccc(OCCCc2ccccc2)cc1CS(=O)(=O)N1CCC(C(N)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.13799322
45223,COc1ccc(OCCN2CCC(Cc3ccc4ccccc4n3)CC2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.55325085
45224,COc1ccc(OCCN2CCC(c3cccc(S(C)(=O)=O)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.71522796
45225,COc1ccc(OCCN2CCC(c3ccccc3OC3CC3)CC2)cc1S(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.5881835
45226,COc1ccc(OCCS(C)(=O)=O)cc1CCCc1ccc(C2CCCCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.15095718
45227,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(COc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.41058266
45228,COc1ccc(OCCS(N)(=O)=O)cc1N1CCC(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3081456
45229,COc1cccc(CN2CCN(CCCCNC(=O)C3CCCC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5859806
45230,COc1cccc(CN2CCN(CCCc3cccc4oc(=O)ccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.52783334
45231,COc1cccc(Oc2cccc3c2CN2CCc4cc(O)c(Cl)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74632746
45232,COc1ccccc1-c1cc(C(=O)NCCN2CCN(C)CC2)ccc1N,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3843397
45233,COc1ccccc1N1CCCN(c2cc(OCCF)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.35983545
45234,COc1ccccc1N1CCN(CCN2CCC(CN(C)C(=O)c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74455196
45235,COc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8057215
45236,Cc1cc(OCCN2CCN(c3cccc(OCC(F)(F)F)c3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.55664426
45237,Cc1cc(OCCN=S(C)(=O)O)ccc1ONCC=Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.029524207
45238,Cc1cc2c(cc1Oc1cccc3ccccc13)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67896837
45239,ClC1CCN(CCN2CCN(c3ccccc3-c3cnccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8008939
45240,Clc1cccc(CN2CCN(CCCc3ccc4c(c3)OCO4)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.52811944
45241,Fc1ccccc1N1CCN(CCN2CCC(Oc3cccc(C(F)(F)F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7483626
45242,NCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7531114
45243,O=C(NCCCN1CCN(Cc2cccc(Cl)c2)CC1)C1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.39089054
45244,O=c1[nH]c(=O)n(C2CCN(CCN3CCN(c4ccccc4OC(F)(F)F)CC3)CC2)cc1F,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83371484
45245,Oc1cc2c(cc1O)C1Cc3cccc(C=Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7879103
45246,C#CC1CCN(CCN2CCN(c3ccccc3-c3ccc(O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84195393
45247,C=COc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.804105
45248,CC(C)(C)OC(=O)NC1CCN(CCN2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.55964935
45249,CC1Cc2ccccc2N1S(=O)(=O)CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6986882
45250,CCCOc1ccc(OC(C)=O)c(NC(=O)COc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.008404663
45251,CCCOc1ccc(OC)c(CNCC2CCc3ccccc3O2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5261559
45252,CCCOc1ccc(OCCCc2ccccc2)c(CN(C=O)C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12802812
45253,CCOc1ccccc1N1CCN(CCN2CCC(C(=O)c3cc4ccccc4nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70366526
45254,COC(=O)c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5319677
45255,COCCOc1ccc(OC)c(N2CCCN(c3ccccc3F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3346381
45256,COOc1ccc(OCCCn2ccc(C=O)c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.09354519
45257,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccccc1N(C)C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.34734893
45258,COc1cc(C2CCCC2)ccc1OCC(=O)NCCOc1ccc(ON=S(C)(=O)O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0085939085
45259,COc1cc2c(cc1COCc1ccc(C#N)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.775308
45260,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccccc3N(C)C)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7060259
45261,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)COc3ccc(C#N)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48952743
45262,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3cccc(F)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6915508
45263,COc1cc2c(cc1Oc1cccc3ccccc13)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76478314
45264,COc1ccc(OCCCCCc2ccc3c(c2)NC(=O)CC3)cc1OC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.18863598
45265,COc1ccc(OCCCN2CCC(c3ccccc3OC)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.7511816
45266,COc1ccc(OCCF)cc1N1CCCC(c2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.40046164
45267,COc1ccc(OCCN2CCC(c3ccccc3CF)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.6836947
45268,COc1ccc(OCCN=S(C)(=O)O)cc1C1CCNCC(Cc2ccc3c(c2)NC(=O)CC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.3280135
45269,COc1ccc(OCCNC(=O)COc2ccc3c(c2)NCCC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.11962933
45270,COc1ccc2ccc(Oc3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)cc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8756175
45271,COc1ccc2nc(O)c(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)cc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6381899
45272,COc1cccc2c1CN1CCc3cc(-c4ccc(C=O)c(Cl)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6208713
45273,COc1ccccc1CNc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.44376224
45274,COc1ccccc1N1CCN(COc2ccc(OCCOS(C)(=O)=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5608978
45275,COc1ccccc1Oc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8184462
45276,CSOc1ccc(OCCN2CCCC(C(=O)c3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5758654
45277,CSOc1ccc(OCCNCCCc2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.30721417
45278,Cc1cc(OCCCN2CCC(C(=O)c3ccc(F)cc3)CC2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.68486875
45279,Cc1cc(OCCN2CCC(Cc3ccc(F)cc3)CC2)ccc1OO[SH](=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.54258007
45280,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6455599
45281,Cc1cn(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c(O)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6341483
45282,ClC1CCN(CCN2CCN(c3ccccc3Oc3ccc4cccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85889554
45283,N#Cc1cccc(OCc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7099055
45284,O=C(NCc1cccc(CN2CCN(CCCF)CC2)c1)c1cccc2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4644766
45285,O=C1CCN(CCN2CCN(c3ccccc3C(=O)c3cc4ccc3CCc3ccc(cc3)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.744092
45286,O=C1N[SH](=O)(CCCN2CCN(Cc3cccc(Cl)c3)CC2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5504677
45287,Oc1cc2c(cc1O)C1Cc3cccc(-c4ccc(C(F)(F)F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65074325
45288,Oc1ccc(-c2cccc(C3CCN(CCN4CCN(c5ccccc5C(F)(F)F)CC4)CC3)n2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7110753
45289,C=CC1Cc2ccccc2N1CCCCN1CCN(Cc2cccc(OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7349051
45290,C=S(O)(O)=NOc1ccc(OCCCN2CCCC(c3ccccc3OC)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5197069
45291,CCCCN1CCN(Cc2cccc(C3CC(=O)Nc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53078234
45292,CCCNC(=O)c1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5317818
45293,CCCOc1ccc(OCN2CCN(C=S(C)(=O)O)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17666452
45294,CCCOc1ccc(ON2CCN(C(=O)OC)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06661199
45295,CCCOc1ccc(ON2CCN(C(=O)c3ccccc3C)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.077634364
45296,CCCOc1ccc(OOC)c(N2CCC(Oc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4230477
45297,CCCOc1ccc(OS(C)(=O)=O)c(CCCc2ccc(OCC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08310012
45298,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3ccc(C)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1863773
45299,CCOc1ccccc1N1CCN(CCN2CCC(C(=O)NCc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7737144
45300,COC1CCN(CCN2CCN(c3ccccc3-c3ncc(O)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77164733
45301,COc1cc2c(cc1-c1ccc3c(c1)OCO3)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68740904
45302,COc1cc2c(cc1O)C1Cc3cccc(COCc4ccc(C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6468364
45303,COc1cc2c(cc1O)C1Cc3cccc(COCc4cccc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.734882
45304,COc1cc2c(cc1O)C1Cc3cccc(Oc4c(OC)cccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7426402
45305,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cccc(CON(C)C)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49555844
45306,COc1cc2c(cc1OCCc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71949875
45307,COc1ccc(-c2cccc(CN3CCN(CCCO)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.558112
45308,COc1ccc(OCCC(N)=O)cc1N1CCCC(C(=O)c2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.23468634
45309,COc1ccc(OCCC2CCCC(c3ccccc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.17837685
45310,COc1ccc(OCCNC(C)=O)cc1NS(=O)(=O)c1cccc(C(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.014794403
45311,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Cc2ccc3ccccc3n2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2624945
45312,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(CCc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27818286
45313,COc1cccc(CN2CCN(CCCNC(=O)c3cc4ccccc4s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3320986
45314,COc1cccc(COc2cccc3c2CN2CCc4cc(OCc5ccccc5)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.706595
45315,COc1cccc2c1CN1CCc3cc(-c4cccc([N+](=O)c5ccccc5)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6203756
45316,COc1cccc2c1CN1CCc3cc(N4CCCC4=O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48595762
45317,COc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4cnc(F)cn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85297525
45318,CS(=O)(=O)OOc1ccc(OCCF)cc1CN1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.28814155
45319,CSOc1ccc(OCCCC(=O)Cc2ccc3c(c2)CCCC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.08548482
45320,CSOc1ccc(OCCCN2CCC(Oc3ccc4c(c3)NC(=O)CC4)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.71100616
45321,Cc1cc(OCCF)ccc1ONCc1ccc(S(C)(=O)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.031859692
45322,Cc1cc(OCCN2CCC(CCc3ccc(F)cc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.53063065
45323,Cc1cc(OCCNC(=O)CCc2ccc3c(c2)CC(=O)CC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.057950564
45324,Cc1cc(OCCNC(=O)c2ccccc2F)ccc1ON1CCC(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.08703849
45325,Cc1cc(OCCNS(C)(=O)=O)ccc1OCC(O)CCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.110524
45326,Cc1cc(OCCNS(C)(=O)=O)ccc1OCCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.19192913
45327,Cc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1ccc([O-])cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.19529158
45328,Cc1cccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2Br)c1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.24846587
45329,NS(=O)(=O)Oc1ccc(OCCSCCCc2ccccc2)cc1C=O,[*]CCOc1ccc(O[*])c([*])c1,0.096274674
45330,OC1CCN(CCN2CCN(c3ccccc3Oc3cccc(C(F)(F)F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80695057
45331,Oc1cc2c(cc1-c1ccncc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6274433
45332,Oc1cccc2c1CN1CCc3cc(OCc4cccc(F)c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67753685
45333,C#Cc1ccccc1N1CCN(CCN2CCC(C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79982775
45334,CC1=CC2=CC=CC2=C(c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c2cc[nH]c2C=C1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54651314
45335,CC1CCN(CCN2CCN(c3ccccc3Oc3ccc(C(F)(F)F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81904095
45336,CCCN(c1ccccc1N1CCN(CCN2CCC(O)CC2)CC1)C1CCc2ccc(O)cc2C1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7158413
45337,CCCOc1ccc(ON2CCN(c3cc(F)ccc3F)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40170187
45338,CCCOc1ccc(ONC)c(N2CCC(Oc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.42118272
45339,CCCOc1ccc(OOC)c(NC(=O)Cc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.010542434
45340,CCOc1cc(OCCCCCc2ccc3c(c2)NC(=O)CC3)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.24051575
45341,CNC(=O)COc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4408554
45342,CNC1CCc2ccc(OC3CCN(CCOc4ccc(ONS(C)(=O)=O)c(C)c4)CC3)cc2C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.6612651
45343,CNOc1ccc(OCCN2CCC(NS(=O)(=O)c3cccc(C(C)C)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5967911
45344,COC1CCN(CCN2CCN(c3ccccc3-c3csc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78203475
45345,COCCCN1CCN(Cc2cccc(C(=O)c3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5349318
45346,COCCCN1CCN(Cc2cccc(N3CCC(C)(C)c4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6319588
45347,COOc1ccc(OCCF)cc1N1CCCC(CCc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.35225275
45348,COOc1ccc(OCCN2CCC(Cc3ccc4ccccc4c3)OC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.50742656
45349,COOc1ccc(OCCN2CCN(c3ccc(F)cc3)CC2)cc1CCF,[*]CCOc1ccc(O[*])c([*])c1,0.8346512
45350,COOc1ccc(OCCNCCc2ccc3c(c2)CC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.21070845
45351,COc1cc2c(cc1-c1cccc(C([O-])(F)F)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58804864
45352,COc1cc2c(cc1-c1cccc(OC(F)(F)F)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60179776
45353,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(O)c5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7731629
45354,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cc[nH]c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66907614
45355,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)c4cccc(C)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5147836
45356,COc1cc2c(cc1OC)C1Cc3cccc(NC(=O)c4ccc5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.28181136
45357,COc1ccc(-c2ccccc2N2CCN(CCN3CCC(C)CC3)CC2)cc1OC,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72314966
45358,COc1ccc(Br)c(C(=O)c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)c1OC,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6699578
45359,COc1ccc(OCCC(C)Cc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.13923895
45360,COc1ccc(OCCN2CCC(CCc3ccc4c(c3)NC(=O)CC4)CC2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.60764223
45361,COc1ccc(OCCNCCc2cccc3c2C(=O)CC(C)C3)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.37511665
45362,COc1ccc(OCCNCCc2ccccc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.24596989
45363,COc1cccc(CN2CCN(CCCN3C(=O)CC(C)(C)CC3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59407383
45364,COc1cccc(CN2CCN(CCCc3ccc(O)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.612038
45365,COc1cccc2c1CCC(CNCOc1ccc(OCCF)cc1C)C2,[*]CCOc1ccc(O[*])c([*])c1,0.53873307
45366,COc1cccc2c1CN1CCc3cc(Cc4ccc5cc[nH]c5c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6862544
45367,COc1ccccc1N1CCN(CCN2CCC(COc3ccc4ccc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83230007
45368,CSOc1ccc(OCCN2CCC(Cc3ccc(OC4CCNC4)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.53100693
45369,Cc1cc(OCCF)ccc1OS(=O)(=O)Cc1ccc(S(C)(=O)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.032760646
45370,Cc1cc(OCCN2CCC(C(=O)N3c4ccccc4CC3C)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.41910517
45371,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)COCC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06304192
45372,Cc1cc(OCCNCc2cccs2)ccc1ON1CCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.17000878
45373,Cc1cccc(CN2CCN(CCCC(=O)N=CC3Nc4ccccc4C(=O)N3c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.45901015
45374,Clc1ccccc1N1CCN(CCN2CCC(n3cccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8069008
45375,O=[N+](N=CO)c1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5611075
45376,Oc1cccc2c1CN1CCc3cc([N+](O)=Cc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68477726
45377,C#Cc1ccccc1N1CCN(CCNC(=O)c2ccc(OC)c(OC)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.7778739
45378,CC(=O)C1CCN(CCOc2ccc(ONS(=O)(=O)c3ccc(C(C)C)cc3)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.41293818
45379,CC(=O)NCCOc1ccc(OCN2CCC(Cc3ccc(F)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26445764
45380,CC(C)C(=O)Nc1cccc(-c2cccc(CN3CCN(CCCCl)CC3)c2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.33671317
45381,CC1CCN(CCN2CCN(c3ccccc3-c3cc(-c4ccccc4)ccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8016039
45382,CCCOc1ccc(OCO)c(N2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29051718
45383,CCCOc1ccc(OCS(C)(=O)=O)c(NCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10926749
45384,CCCOc1ccc(ONC(C)=O)c(NCC2CCC(O)c3cc(OC)ccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25940594
45385,CCCOc1ccc(OS(=N)O)c(NC(=O)Cc2ccc(C(C)=O)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0061919778
45386,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3ccccc3F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2706637
45387,CCCOc1ccc(OS(C)(=O)=O)c(Nc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.066126004
45388,CCCOc1ccc(OSC)c(N2CCC(CC(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2858408
45389,CCCOc1ccc(OSC)c(N2CCN(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09051395
45390,CCCOc1ccc(OSC)c(NCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09322288
45391,CCOc1ccccc1NCCOc1ccc(ON)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04341556
45392,COC(=O)NCCCCN1CCN(Cc2cccc(OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61936414
45393,COC(=O)c1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccccc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.28930768
45394,COC(=O)c1ccc(N2CCN(Cc3cccc4c3CN3CCc5cc(OC)c(O)cc5C3C4)CC2)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5219291
45395,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4cncc(O)n4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7721652
45396,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3nc(O)nc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4262366
45397,COCCOc1ccc(OC)c(CN2CCCc3ccc(F)cc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4199522
45398,COCCOc1ccc(ON2CCN(c3cccc(Cl)c3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29924926
45399,COc1cc2c(cc1Cc1ccc3ccccc3c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70746404
45400,COc1cc2c(cc1O)C1Cc3cccc(SCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.602148
45401,COc1cc2c(cc1OC)C1Cc3cccc(CC4CCCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7330923
45402,COc1cc2c(cc1OC)C1Cc3cccc(OCc4ccc(C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.621516
45403,COc1ccc(-c2ccc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)nc2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7653632
45404,COc1ccc(OCCN2CCC(S(=O)(=O)c3ccccc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.72384715
45405,COc1ccc(OCCN2CCC(c3ccc(OC4CCC(=O)CC4)cc3)CC2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6118058
45406,COc1ccc(OCCN2CCC(c3ccc(OC4CCC(=O)CC4)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.68966806
45407,COc1ccc(OCCNCC2CCC(N3CCCCC3)CS2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.12941532
45408,COc1ccc(OCCNS(=O)(=O)c2cccc(C(C)=O)c2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.054124005
45409,COc1ccc(OCCS(=O)(=O)O)cc1CNC(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.017556325
45410,COc1ccc(OCCS(=O)(=O)O)cc1N1CCC(Cc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.35212892
45411,COc1ccc(OCCS(C)(=O)=O)cc1C(F)COc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.08290632
45412,COc1ccccc1C(=O)CCOc1ccc(ON=S(C)(=O)O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.036361687
45413,COc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccc4)c(O)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8168061
45414,Cc1cc(OCCCn2ccc(CCCF)c2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.11138886
45415,Cc1cc(OCCN=S(C)(=O)O)ccc1OCN1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.34889105
45416,Cc1cc2c(cc1O)C1Cc3cccc(C=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62490857
45417,Cc1ccccc1OCCCCOc1ccc(ONS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07082383
45418,Clc1cccc(CN2CCN(CCCOc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7429394
45419,FC(F)(F)CCCN1CCN(Cc2cccc(Oc3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7224772
45420,N#Cc1cccc(Oc2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6576526
45421,CC(=O)NOc1ccc(OCCC(=O)OCCN2CC3=CC=CC=CC2CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.13076547
45422,CC(C)Oc1ccccc1N1CCN(CCN2CCC(n3cc(C(F)(F)F)ccc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8162684
45423,CCCOc1ccc(OC)c(CCN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.9184849
45424,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24844138
45425,CCCOc1ccc(OOC)c(CNc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.064020835
45426,CCCOc1ccc(OOC)c(NCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07213437
45427,CCOCc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6730192
45428,CCOc1cccc(CN2CCN(CCCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6257257
45429,CCOc1ccccc1N1CCN(CCN2CCC(c3ccccc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79338557
45430,CCc1cccc(OC)c1-c1cccc2c1CN1CCc3cc(Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.611229
45431,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccc4nc(O)ccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6738154
45432,COCCCN1CCN(Cc2cccc(Cc3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.649183
45433,COCCOc1ccc(OC)c(N2CCC(NC(=O)c3ccc(SC)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20666423
45434,COCCOc1ccc(OC)c(NC(=O)COc2cccc(Cl)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.02043142
45435,COCc1cc2c(cc1OC)CCN1Cc3c(Cc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6516276
45436,COOc1ccc(OCCNS(=O)(=O)Cc2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.08726707
45437,COc1cc2c(cc1O)C1Cc3cccc(CC(=O)NCc4ccc5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39920086
45438,COc1ccc(C(=O)NCCN2CCN(NS(=O)(=O)O)CC2)cc1-c1ccccc1[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29996565
45439,COc1ccc(OCCCS(=O)(=O)c2ccc(C(C)C)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.07747482
45440,COc1ccc(OCCCc2ccc(S(C)(=O)=O)cc2)cc1CN1CCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.1784514
45441,COc1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.66610855
45442,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(CCc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2780222
45443,COc1ccc(OCCN=S(C)(=O)O)cc1NCCc1cccc2ccccc12,[*]CCOc1ccc(O[*])c([*])c1,0.07877541
45444,COc1ccc(OCCNc2ccccc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.067169696
45445,COc1ccc(OCCOCC(C)C)cc1NC(=O)C1CCCN(CCc2ccc(S(C)(=O)=O)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.11088244
45446,COc1ccc(OCCS(=O)(=O)O)cc1N1CCC(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27613524
45447,COc1ccc(OCCS(C)(=O)=O)cc1CN1CCC(c2cc(F)ccc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4186839
45448,COc1cccc(-c2ccc(C(=O)NCCN3CCN(OC)CC3)cc2OC)n1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27161646
45449,COc1cccc(CN2CCN(CCCC3OCCN3c3cccc4c3C(=O)N(c3ccccc3)C4=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5230748
45450,COc1ccccc1N1CCN(Oc2ccc(OCCNc3ccc(F)cc3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23748404
45451,Cc1cc(OCCCN2CC(O)CCc3c(C)cccc32)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.29073632
45452,Cc1cc(OCCN2CC3(C=CC=CC=C3CC3CCCC3)C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.19511242
45453,Cc1cc(OCCN2Cc3ccc(CC(F)(F)F)cc3CC(C)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.41194966
45454,Cc1cc(OCCNCCc2ccc3ccccc3c2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.21199645
45455,Cc1cc2c(cc1O)CCN1Cc3c(cccc3CN(C)Cc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58388937
45456,Cc1cccc(OCC(=O)NCCOc2ccc(ONS(C)(=O)=O)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.009055619
45457,FCc1cccc(CN2CCN(CCCCOc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7022097
45458,O=C(Nc1ccccc1)Oc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34182096
45459,O=S1(=O)Cc2cccc(CCCN3CCN(Cc4cccc(Cl)c4)CC3)c2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7059544
45460,O=[N+](Nc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2)c1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4891368
45461,Oc1cc2c(cc1O)C1Cc3cccc(C4CCCCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5869963
45462,[O-]c1ccccc1N1CCN(CCN2CCC(c3ccncc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8306919
45463,CC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4cccc(O)c4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7247351
45464,CCCOc1ccc(OC)c(CNCc2cc3cc(OC(C)C)ccc3o2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.105364285
45465,CCCOc1ccc(OCCOc2ccccc2C)c(NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.02507434
45466,CCCOc1ccc(ON2CCN(c3ccccc3OC)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38903993
45467,CCCOc1ccc(O[SH](C)(N)=O)c(N2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29833758
45468,CCOc1cccc2c1CN1CCc3cc(Oc4ccccc4)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72262454
45469,CCOc1ccccc1N1CCN(CCN2CCC(Oc3ccc(Br)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74394596
45470,COC1CCN(CCN2CCN(c3ccccc3CF)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8144482
45471,COCCCN1CCN(Cc2cccc(CC3Nc4ccccc4C(=O)N3c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5722401
45472,COCCCN1CCN(Cc2cccc(Cc3coc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60286605
45473,COOc1ccc(OCCN2CCC(Cc3ccccc3OC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6264871
45474,COc1cc2c(cc1CO)C1Cc3cccc(CC4CC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6862886
45475,COc1cc2c(cc1COCc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7001696
45476,COc1cc2c(cc1Nc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.571554
45477,COc1cc2c(cc1O)C1Cc3cccc(C(=O)OCc4ccc(N(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56186455
45478,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cc(O)c4ccccc4c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7087419
45479,COc1cc2c(cc1O)CCN1Cc3c(cccc3N(C)c3ccc(CO)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7959286
45480,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(CN(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68898547
45481,COc1cc2c(cc1OC)CC(CNCOc1ccc(OCCF)cc1C)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.33084682
45482,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(cccc3NC(C)=O)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.28472605
45483,COc1ccc(-c2cccc(CN3CCN(CCCCl)CC3)c2)c2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6082552
45484,COc1ccc(OCCCN2CCN(c3ccccc3OC(C)C)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.9124302
45485,COc1ccc(OCCN2CCC(=O)C2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3522625
45486,COc1ccc(OCCN=S(C)(=O)O)cc1NCCCc1ccco1,[*]CCOc1ccc(O[*])c([*])c1,0.047402408
45487,COc1ccc(OCCNC(C)c2ccccc2)cc1C(=O)Nc1ccc(SC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.033582456
45488,COc1ccc(OCCNS(C)(=O)=O)cc1NC(=O)Cc1ccc(OC2CCCCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.023029616
45489,COc1ccc(OCCOC(C)=O)cc1N1CCCC(COc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.23040895
45490,COc1cccc(CC(=O)N2CCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18163562
45491,COc1cccc(Cc2cc(C(=O)NCCN3CCN(C)CC3)ccc2C)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.23172463
45492,COc1ccccc1N1CCN(CCN2CCC(CC(=O)NCc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76700234
45493,COc1ccccc1N1CCN(CCN2CCC(Oc3cc4ccccn4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74325794
45494,COc1ccccc1N1CCN(CCNC(=O)c2ccc(CO)c(C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.90042883
45495,CS(=O)(O)=NOc1ccc(OCCF)cc1CNCCc1cccs1,[*]CCOc1ccc(O[*])c([*])c1,0.045250043
45496,CSOc1ccc(OCCN2CCC3(CC2)OC=C(c2ccc(F)cc2)C3=O)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5707888
45497,CSOc1ccc(OCCNCc2ccc(SC)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.15613826
45498,Cc1cc(OCCN2CCC(Cc3ccc4ccccc4c3)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.44658816
45499,Cc1cc(OCCN2CCc3ccccc3CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5597357
45500,Cc1cc(OCCNCc2ccc(OCC(F)(F)F)cc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16301735
45501,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(c2ccc3ccc(CC(=O)O)cc3c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.13704795
45502,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCN(c2ccccc2OC(C)C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.36925247
45503,Cc1cc(OCCS(C)(=O)=O)ccc1OCN1CCC(Cc2ccc3ccccc3n2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.36765593
45504,Fc1ccc(CCCN2CCN(Cc3cccc(F)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70961857
45505,O=C(NSc1ccccc1)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.523211
45506,O=C(c1ccccc1)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5046384
45507,O=C1N(Cc2cccc(CN3CCN(CCCC(F)(F)F)CC3)c2)CCN1c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56597376
45508,OC(=Cc1ccccc1)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69877166
45509,C=Cc1cc2c(cc1Oc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66646916
45510,CC(C)c1ccccc1N1CCN(CCN2CCC(n3cc(F)cnc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6984412
45511,CCCOc1ccc(OCF)c(N2CCC(Nc3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27234042
45512,CCCOc1ccc(ONC(=O)CCc2ccccc2)c(CNc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.015752537
45513,CCCOc1ccc(OS(C)(=O)=O)c(-c2ccccc2CCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11323056
45514,CCCOc1ccc(OS(C)(=O)=O)c(Nc2ccc(OCC(C)=O)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.023684125
45515,CCCOc1ccc(OS(N)(=O)=O)c(CCCc2ccc3c(c2)CC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27802238
45516,CCc1cccc(CN2CCN(CCCCc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6852534
45517,CNC(=O)Oc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43532223
45518,COC(=O)Nc1cccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32209885
45519,COC(=O)c1ccc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.7318158
45520,COC(CCc1ccc2c(c1)NC(=O)CC2)NOc1ccc(OCCN=S(C)(=O)O)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.11001856
45521,COC1CCN(CCN2CCN(c3ccccc3-c3cncc(-c4ccc(F)cc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6795905
45522,COCCCN1CCN(Cc2cccc(S(=O)(=O)NC3CCCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5526456
45523,CON1CCN(CCNC(=O)c2ccc(C=O)c(-c3ccccc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.365151
45524,COc1c(Cl)cccc1-c1ccc(C(=O)NCCN2CCN(OC)CC2)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2475779
45525,COc1cc2c(cc1C)C1Cc3cccc(-c4ccc5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6110561
45526,COc1cc2c(cc1CC1CCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)CC1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.48352382
45527,COc1cc2c(cc1CNc1ccccc1OC)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42398772
45528,COc1cc2c(cc1O)CCN1Cc3c(COC4CCCC4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76288587
45529,COc1cc2c(cc1O)CCN1Cc3c(cccc3NCCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50402504
45530,COc1cc2c(cc1OC)OC(CNCOc1ccc(OCCF)cc1C)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.42546612
45531,COc1ccc(OCCC(=O)COc2ccc3c(c2)NC(=O)CC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.18572356
45532,COc1ccc(OCCF)cc1CN(C1CCc2ccc(S(C)(=O)=O)cc2C1)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2956821
45533,COc1ccc(OCCF)cc1CN1CCC(C(C)c2ccc(S(C)(=O)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3452789
45534,COc1ccc(OCCF)cc1N1CN(S(C)(=O)=O)CCC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.17007872
45535,COc1ccc(OCCNCc2ccccc2)cc1S(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2744593
45536,COc1ccc2ccc(OC3CCN(CCOc4ccc(OC)c(OC)c4)CC3)cc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.5673684
45537,COc1cccc(CN2CCN(CCCCN3OC=C4CCCC4C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6634063
45538,COc1cccc(CN2CCN(CCCc3cc4ccccc4cc3C(N)=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5352984
45539,COc1cccc(COc2cccc3c2CN2CCc4cc(Br)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6270038
45540,COc1cccc(Cc2cc3c(cc2C)CCN2Cc4c(cccc4OC)CC32)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5583926
45541,COc1cccc2c1CN1CCc3cc(Cc4cccc(O)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75109774
45542,COc1ccccc1-c1cc(C(=O)NCCN2CCN(C)CC2)ccc1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.34952915
45543,COc1ccccc1N1CCN(CCN2CCC(c3ccc(F)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8784637
45544,COc1ccccc1N1CCN(CCN2CCC(c3cccc4cc(C#N)ccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.86551356
45545,Cc1cc(OCCCCCc2ccc(F)cc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09816124
45546,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCS4)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.46843293
45547,Cc1cc2c(cc1O)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5955909
45548,Cc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5973797
45549,Cc1cccc2c1CN1CCc3cc(-c4ccco4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61372715
45550,Cc1ccccc1N1CCN(CCN2CCC(c3cn4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66954607
45551,N#CC1CCN(CCN2CCN(c3ccccc3COc3ccc4c(c3)NC(=O)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75797164
45552,CC(=O)Oc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.39527136
45553,CCCOc1ccc(OCCNS(C)(=O)=O)c(CCC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03839524
45554,CCCOc1ccc(OCCOc2cccc(F)c2)c(C(=O)Nc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.034298334
45555,CCCOc1ccc(OCN2CCC(c3ccccc3C)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.47471866
45556,CCCOc1ccc(ON)c(N2CCC(c3ccccc3F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33767238
45557,CCCOc1ccc(ONS(C)(=O)=O)c(C2CCCC(Cc3ccc4c(c3)NC(=O)CCC4)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31558478
45558,CCCOc1ccc(OOC)c(C(c2ccc(F)cc2)C2CCNCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30980587
45559,CCCOc1ccc(O[SH](C)(=O)O)c(N2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3568944
45560,CCCc1ccccc1N1CCN(CCN2CCC(c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82731277
45561,CCOc1cc2c(cc1OC)C1Cc3cccc(-c4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56371367
45562,CCc1cc2c(cc1CO)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5579822
45563,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3ccccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7301386
45564,COCCCN1CCN(Cc2cccc(C3C(=O)Cc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7225175
45565,COCCCN1CCN(Cc2cccc(N3C=Cc4ccccc4S3(=O)=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.45706785
45566,CON1CCN(CCNC(=O)c2ccc(C)c(-c3ccc(Cl)cc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2762533
45567,COOc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.020579612
45568,COc1cc(CNOc2ccc(OCCCF)cc2C)ccc1NC(=O)C=O,[*]CCOc1ccc(O[*])c([*])c1,0.060175113
45569,COc1cc2c(cc1C(F)(F)F)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5855949
45570,COc1cc2c(cc1O)C1Cc3cccc(C(=O)NCc4ccc(C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49204224
45571,COc1cc2c(cc1O)C1Cc3cccc(CCNc4cccc5ccc(CO)cc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4354563
45572,COc1cc2c(cc1OC)C1Cc3cccc(-c4cccc(CN=O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64129484
45573,COc1cc2c(cc1OC)C1Cc3cccc(CN(C)Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7960109
45574,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(-c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6529212
45575,COc1ccc(Cc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7718304
45576,COc1ccc(OCCN2CCC(C(=O)c3ccccc3)CC2)cc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.5891651
45577,COc1ccc(OCCNC(C)=O)cc1N1CCC(Cc2ccc(S(C)(=O)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.13269041
45578,COc1ccc(OCCNS(C)(=O)=O)cc1C(O)COc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.17628239
45579,COc1ccc(OCCOS(C)(=O)=O)cc1N1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.25770795
45580,COc1cccc(C2CCN(CCOc3ccc(OC)c(S(C)(=O)=O)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7014914
45581,COc1cccc(COc2cc3c(cc2OC)C2Cc4cccc(Cc5cccc(OC)c5)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62227714
45582,COc1cccc(Nc2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50605255
45583,COc1cccc2c1CN1CCc3cc(-c4ncccc4C)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6226144
45584,COc1ccccc1-c1cccc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78928673
45585,CSOc1ccc(OCCN2CCC(Oc3ccc(Cl)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.58827513
45586,Cc1cc(OCCN2CC(C)Cc3ccccc32)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.2585974
45587,Cc1cc(OCCN2CCC(=O)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.45750856
45588,Cc1cc(OCCN2CCC(Cc3cccc4c3NC(=O)CC4)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.59211814
45589,Cc1cc(OCCN2CCCCC2c2ccccc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2975928
45590,Cc1ccccc1N1CCN(CCN2CCC(C(=O)c3cc(O)nc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4863758
45591,Cc1ccccc1N1CCN(CCN2CCC(c3cccc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7130663
45592,O=C(Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)Nc1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.20213279
45593,O=C(c1cccc(CN2CCN(CCCF)CC2)c1)C1CCCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70309645
45594,OC1CCN(CCN2CCN(c3ccccc3-c3ncc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72220755
45595,OCC1Cc2ccccc2N1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6799783
45596,CCC(=O)N(C)Cc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47646844
45597,CCCCc1cccc(Oc2cc(OCCC)ccc2OSC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1423275
45598,CCCOc1ccc(ON2CCN(C(C)=O)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.077814445
45599,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20801282
45600,CCCOc1ccc(ONC)c(N2CCC(C(=O)c3ccsc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18897296
45601,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(CCc3ccc4c(c3)CC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36065903
45602,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3ccc(OC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2897215
45603,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)Cc2ccc3c(c2)CC(CC)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16772765
45604,CCCOc1ccc(OSC)c(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2982066
45605,CCCc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7982177
45606,CCOc1ccccc1N1CCN(CCN2CCC(c3ccc4ncccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8287198
45607,COC(=O)CCOc1ccc(OCN2CCN(c3ccc(F)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24825245
45608,COC1CCN(CCN2CCN(c3ccccc3-c3cnc4cccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74921316
45609,COC1CCN(CCN2CCN(c3ccccc3C(=O)Nc3cccc(Cl)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.62249047
45610,COCCOc1ccc(OCN2CCC(Nc3ccccc3OC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36278555
45611,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(CN)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75964725
45612,COc1cc2c(cc1O)CCN1Cc3c(CCN)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.87858015
45613,COc1cc2c(cc1OC)C1Cc3cccc(CN4CCCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6233239
45614,COc1cc2c(cc1OCc1ccc3[nH]ccc3c1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64437604
45615,COc1cc2c(cc1OCc1ccccc1C#N)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73396826
45616,COc1ccc(-c2cc(C(=O)NCCN3CCN(SC)CC3)ccc2OC)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2713947
45617,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1cccc(C)c1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26276612
45618,COc1ccc(C2CN(Cc3cc(OCCF)ccc3OC)CCN2S(C)(=O)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.34048
45619,COc1ccc(OCCC(C)=O)cc1CCOc1ccccc1C(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.056648966
45620,COc1ccc(OCCCS(=O)(=O)c2ccc(C(C)C)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07026506
45621,COc1ccc(OCCN=S(C)(=O)O)cc1OC(=O)Cc1ccc(C2CCNCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.08798545
45622,COc1ccc(OCCNS(=O)(=O)c2ccc(F)c(F)c2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.047223184
45623,COc1ccc(OCCS(C)(=O)=O)cc1C(F)Cc1ccc(OC2CCCCN2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.12892635
45624,COc1ccc(OCCS(C)(=O)=O)cc1N1CCc2cc(CC(C)=O)ccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.18821013
45625,COc1ccc2sc(C(=O)c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)cc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6525969
45626,COc1cccc(CN2CCN(CCCCCc3cnc(-c4ccccc4)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6743286
45627,COc1cccc(CN2CCN(CCCc3ccc4sc(N)cc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5924974
45628,COc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.877364
45629,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(c2ccc(OC(C)C)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.14803328
45630,Cc1cc(OCCNC(=O)COc2ccc(F)cc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.010568892
45631,Cc1cc(OCCOS(=O)(=O)C(F)(F)F)ccc1ON1CCC(Oc2ccc(CC3CCCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1893343
45632,Cc1ccc(NC(=O)c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.29273012
45633,Clc1ccccc1N1CCN(CCN2CCC(c3nc(-c4ccccc4)cs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8282287
45634,Fc1ccccc1N1CCN(CCN2CCC(c3cccc(C(F)(F)F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.661961
45635,O=C1CCc2ccc(OCCCN3CCN(Cc4cccc(Cl)c4)CC3)cc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7421631
45636,O=[N+]([O-])c1ccccc1N1CCN(CCN2CCC(c3cccc(O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64520514
45637,O=c1ccc2ccc(CCCCN3CCN(Cc4cccc(Cl)c4)CC3)cc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.773027
45638,Oc1cc(-c2ccccc2)cn1-c1ccccc1N1CCN(CCN2CCC(F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7120084
45639,[O-]c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67510813
45640,CCCCN1CCN(c2cc(OCCF)ccc2ONS(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.78049225
45641,CCCOc1ccc(OC)c(CS(=O)(=O)c2ccc(NC(C)=O)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.013773813
45642,CCCOc1ccc(OCC)c(N2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3310233
45643,CCCOc1ccc(OF)c(NCC2CCc3cc(OC)c(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.41971415
45644,CCCOc1ccc(ON=S(C)(=O)O)c(CC2CCc3cc(CC4CCC4)ccc3C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22966346
45645,CCCOc1ccc(ON=S(C)(=O)O)c(NC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.034897476
45646,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(Oc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33004993
45647,CCCOc1ccc(OS(C)(=O)=O)c(C2CCC(CN3C(=O)CCc4ccccc43)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30959773
45648,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3ccc(F)cc3)C(=O)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26024342
45649,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(c3ccc(SC)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2161052
45650,CNCc1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6977314
45651,CNCc1ccc(-c2cc3c(cc2OC)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6354268
45652,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3cnn4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6826405
45653,CON1CCN(CCNC(=O)c2ccc(C#N)c(-c3ccccc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.41429496
45654,COOc1ccc(OCCOC(=O)CCCc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.06676763
45655,COc1cc2c(cc1-c1ccc(OC(F)(F)F)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73604715
45656,COc1cc2c(cc1CNc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6233847
45657,COc1cc2c(cc1O)CCN1Cc3c(CNCc4cccc(C(F)(F)F)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5991899
45658,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccncc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68885565
45659,COc1cc2ccccc2cc1C(=O)NC1CCN(CCN2CCN(c3ccccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8757802
45660,COc1ccc(CNC(=O)c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5127224
45661,COc1ccc(OCCCc2ccccc2)cc1C=CNC(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.055518534
45662,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.68511283
45663,COc1ccc(OCCN2CCCC(c3ccccc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.74098724
45664,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCC(Cc2ccc(C)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.10931068
45665,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1CN1CCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.083926156
45666,COc1ccc(OCCNC(=O)c2cccc(NC(C)=O)c2)cc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.010548723
45667,COc1ccc(OCCNCCCc2ccccc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.38476533
45668,COc1ccc(OCCNS(C)(=O)=O)cc1Cc1ccc(Cl)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.12274276
45669,COc1ccc(OCCS(N)(=O)=O)cc1N1CCCC(Cc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.21902692
45670,COc1cccc(CN2CCN(CCCCc3cc(-c4ccccc4)cs3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.73494387
45671,COc1cccc2c1CN1CCc3cc(Cc4ccc(C#N)cc4)c(CO)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54172295
45672,COc1ccccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1S(=O)(=O)O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.36972752
45673,COc1ccccc1CC1CCN(CCOc2ccc(ON)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6540133
45674,COc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3cc4ccccn4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8205988
45675,COc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3ccc(F)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78068787
45676,COc1ccccc1N1CCN(CCN2CCC(c3nccn3Cc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68696296
45677,CSC1CCN(Oc2ccc(OCCNC(=O)Cc3ccccc3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.05993074
45678,Cc1cc(OCCN2CCC(c3ccc(OC4CCCCC4)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.60769045
45679,Cc1cc(OCCNC(=O)Cc2ccccc2)ccc1ON1CCNC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.058710776
45680,Cc1cc(OCCNC(=O)Cc2ccccc2)ccc1OOC1CCNC1,[*]CCOc1ccc(O[*])c([*])c1,0.05875366
45681,Cc1ccccc1N1CCN(CCN2CCC(Cc3ccc4cccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66133446
45682,Cc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.62231094
45683,O=S(=O)(c1ccccc1)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6582114
45684,Oc1cc(-c2ccccc2)nn1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7160021
45685,Oc1cc2c(cc1N1CCCCC1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45372912
45686,CCCOc1ccc(ONC=O)c(N2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28109002
45687,CCCOc1ccc(OOC=O)c(N2CCCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23400795
45688,CCCOc1ccc(OS(C)(=O)=O)c(CC(C)COc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29117024
45689,CCc1ccc(N(C)S(=O)(=O)c2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6036006
45690,COCCCN1CCN(Cc2cccc(N3c4ccccc4C(C)S3(=O)=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5678184
45691,COCCCN1CCN(Cc2cccc(Oc3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7206008
45692,COCCOc1ccc(OC)c(N2CCN(C(c3ccccc3)c3cccc(OC)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29694912
45693,COCCOc1ccc(OC)c(NCc2cccc(S(C)(=O)=O)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.078915805
45694,COOc1ccc(OCCc2ccc(F)cc2)cc1CCCN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.51733875
45695,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccccc1C#N,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35416663
45696,COc1cc2c(cc1CNc1ccc(C)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43298405
45697,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(C#N)cn4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5969946
45698,COc1cc2c(cc1O)C1Cc3cccc(CNCc4cccc(Oc5ccccc5)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.586294
45699,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(C=O)cc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73820895
45700,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)OC(C)(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58024997
45701,COc1ccc(C#N)cc1-c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71204317
45702,COc1ccc(C(C)C)cc1N1CCN(Oc2ccc(OCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2924191
45703,COc1ccc(C(F)(F)F)cc1S(=O)(=O)NCCOc1ccc(OSC)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07271731
45704,COc1ccc(CCOc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7459894
45705,COc1ccc(OCCCCCc2cc(C3CCCC3)c[nH]2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.19270666
45706,COc1ccc(OCCN(C)S(C)(=O)=O)cc1NCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.11526338
45707,COc1ccc(OCCN2CCC(Cc3ccc(F)cc3)CC2)cc1OS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.6057105
45708,COc1ccc(OCCN2CCC(Cc3ccc4ccccc4c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.60962766
45709,COc1ccc(OCCNS(=O)(=O)c2ccc(F)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06840239
45710,COc1ccc(OCCNS(=O)(=O)c2ccccc2)cc1OC(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.089267984
45711,COc1ccc(OCCOS(C)(=O)=O)cc1N1CCC(COc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.37149498
45712,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(c2cccc(C(F)(F)F)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2883772
45713,COc1ccc(OCCS(N)(=O)=O)cc1CCCCC1CCCc2cc(ccc2OC2CNC(=O)C2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.24757944
45714,COc1cccc(CCCCN2CCN(Cc3cccc(OC)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.76646316
45715,COc1cccc(CN2CCN(CCCc3ccccc3-c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6613572
45716,CSOc1ccc(OCCNC(=O)Cc2ccc3c(c2)CCN(C)C3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.114679664
45717,CSc1ccc(CC2CCN(COc3ccc(OCCF)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.39133757
45718,CSc1ccc(CC2CCN(Oc3ccc(OCCOC(C)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.108503394
45719,Cc1cc(OCCF)ccc1OCCOc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.27282956
45720,Cc1cc(OCCN2CCC(Cc3ccc4sccc4c3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.46040374
45721,Cc1cc(OCCN2CCN(Cc3ccc4c(c3)CCC(=O)C4)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.47044528
45722,Cc1cc(OCCN2CCN(Cc3ccccc3)CC2)ccc1OC=S(=O)(O)O,[*]CCOc1ccc(O[*])c([*])c1,0.4252254
45723,Cc1cc(OCCNS(C)(=O)=O)ccc1ONS(=O)(=O)c1ccc(C2CCCCN2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.1245863
45724,Cc1cc2c(cc1-c1ccc3[nH]ccc3c1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64657605
45725,Cc1cc2c(cc1Oc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6902158
45726,Cc1csc(CCCN2CCN(Cc3cccc(Cl)c3)CC2)n1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6095404
45727,O=COc1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5967471
45728,Oc1cc2c(cc1Br)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7583549
45729,Oc1cc2c(cc1C=NCOc1ccccc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56455296
45730,CCCCN1CCN(Cc2cccc(C(=O)N=CC3Nc4ccccc4C(=O)N3c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.39749822
45731,CCCOc1ccc(OF)c(CNC(=O)c2cc(NC)ccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.015827257
45732,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC2CNc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25998527
45733,CCc1ccc(OC2CCN(Oc3ccc(OCCOS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.18263853
45734,CNS(=O)(=O)CCOc1ccc(ONCCc2ccccc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07490924
45735,COC(=O)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.43179616
45736,COC1CCN(CCN2CCN(c3ccccc3C(=O)N3Cc4ccccc4C3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.58243096
45737,COC1CCN(CCN2CCN(c3ccccc3Nc3ncc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.47894996
45738,COCCOc1ccc(OC)c(N2CCC(c3ccccc3C)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36769873
45739,COCCOc1ccc(Oc2ccccc2OCCF)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12409097
45740,COc1cc2c(cc1Cc1ccccc1C)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73976296
45741,COc1cc2c(cc1O)C1Cc3cccc(-c4ccncc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70312846
45742,COc1ccc(COc2cc3c(cc2OC)C2Cc4cccc(OCc5cccc(OC)c5)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68071854
45743,COc1ccc(OCCCCF)cc1CS(=O)(=O)c1cccc(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10185849
45744,COc1ccc(OCCN=Cc2ccccc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.061402366
45745,COc1ccc(OCCNC(C)Cc2ccccc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.08666916
45746,COc1ccc(OCCNS(C)(=O)=O)cc1NC(=O)COc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.03803039
45747,COc1ccc(OCCS(=N)(=O)O)cc1N1CCC(Cc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.36716956
45748,COc1ccc(OCCS(=O)O)cc1N1CCCC(Cc2cc(=O)oc3cc(F)ccc23)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2754738
45749,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCCC(CCc2ccc3c(c2)N(C)CC(=O)C3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.31737477
45750,COc1ccc(OCCSC)cc1NCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07824168
45751,COc1cccc(-c2cc3c(cc2O)C2Cc4cccc(C(F)(F)F)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6619121
45752,COc1cccc(CN2CCN(CCCC(=O)N3C(=O)c4ccccc4C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53393054
45753,COc1cccc(CN2CCN(CCCCC(=O)N3Cc4ccccc4C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68173563
45754,COc1cccc2c1CN1CCc3cc(C#Cc4ccccc4)c(Oc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66642314
45755,CSOc1ccc(OCCNC(=O)OCCc2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.07345889
45756,C[N+]([O-])c1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6225289
45757,Cc1cc(OCCN2CCC(CCc3ccc(F)cc3)CC2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5981116
45758,Cc1cc(OCCN2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.63697225
45759,Cc1cc(OCCN2CCC(c3ccc(OC4CCCCC4)cc3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6101199
45760,Cc1cc(OCCN=S(C)(=O)O)ccc1OC(F)Cc1ccc(OC2CCNC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.17211054
45761,Cc1cc(OCCNC(=O)Cc2ccc(F)cc2)ccc1OCS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.012537033
45762,Cc1ccc(-c2ccccc2)nc1C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6917263
45763,Cc1cccc2c1CN1CCc3cc(Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62707853
45764,N=Cc1cc2c(cc1CO)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6070391
45765,Nc1cccc(-c2ccc(CCCN3CCN(Cc4cccc(Cl)c4)CC3)cc2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7187185
45766,O=C(N=CCc1cccc(CN2CCN(CCCCl)CC2)c1)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6299107
45767,O=C1c2ccccc2N(CCCN2CCN(Cc3cccc(F)c3)CC2)S1(=O)=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65472263
45768,Oc1cc2c(cc1C=NOCc1ccc(Cl)cc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60291153
45769,Oc1cc2c(cc1COC(F)(F)F)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76581436
45770,Oc1cc2c(cc1Cc1ccco1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7472676
45771,Oc1ccc(Oc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84883887
45772,c1ccc(CCCCN2CCN(Cc3cccc(OCc4ccccc4)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70205796
45773,CC(=O)NCCOc1ccc(ONS(=O)(=O)c2ccc(C3CCNCC3)cc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.043853115
45774,CCCCc1ccc(CNOc2ccc(OCCS(C)(=O)=O)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06268064
45775,CCCNOc1ccc(OCCC)cc1CCN1CCN(C(C)c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5455665
45776,CCCOc1ccc(OC2CCN(CCc3ccc(F)cc3)CC2)c(OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7242343
45777,CCCOc1ccc(OCCOc2ccccc2C(C)=O)c(N)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05633212
45778,CCCOc1ccc(ON2CCC(c3ccccc3OCC)CC2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3773553
45779,CCCOc1ccc(OS(C)(=O)=O)c(NCC2CCC(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1733883
45780,CCCOc1ccc(OS(C)(=O)=O)c(NCC2CCc3ccc(SC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4474852
45781,CCCOc1ccc(OS(C)(=O)=O)c(Nc2cc(CCC)ccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08195439
45782,CCCOc1ccc(OS(N)(=O)=O)c(CCOc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33480585
45783,CCCOc1ccc(OSC)c(NCC2CCCC2COc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2825387
45784,CCOc1cc2c(cc1O)CCN1Cc3c(Cc4ccc(OC)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62972397
45785,CNC(=O)Oc1ccc(OCCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5523941
45786,COC(=NCCCCN1CCN(Cc2cccc(OC)c2)CC1)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56222475
45787,COCCCN1CCN(Cc2cccc(-c3ccccc3N3CCOC3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53516835
45788,COCCCN1CCN(Cc2cccc(-n3cccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5944554
45789,COCCCN1CCN(Cc2cccc(C3CCc4ccccc4C3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7318436
45790,CON1CCN(CCNC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])c(C=O)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30244508
45791,CON1CCN(CCNC(=O)c2ccc(S(C)(=O)=O)c(-c3cccc([N+](=O)[O-])c3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.23212136
45792,COc1cc2c(cc1O)C1Cc3cccc(OCc4cccc5cccc(OC)c45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7200266
45793,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cccc([N+](=O)OC)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63316315
45794,COc1ccc(CCCN2CCN(Cc3cccc(-c4cc5ccccc5o4)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61754894
45795,COc1ccc(OCCN2CCN(C)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.49463776
45796,COc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1-c1cccc(NC=O)c1OC,[*]CCOc1ccc(O[*])c([*])c1,0.036734633
45797,COc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1C(=O)N(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.018025361
45798,COc1ccc(OCCNS(=O)(=O)c2ccc3c(c2)CC(=O)CC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.091406226
45799,COc1ccc(OCCOS(C)(=O)=O)cc1NCCc1csc2ccccc12,[*]CCOc1ccc(O[*])c([*])c1,0.06671617
45800,COc1cccc(CN2CCN(CCCn3cc(-c4ccccc4)cc3O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6321851
45801,COc1cccc2ccc(CC3CCCN(CCOc4ccc(ON=S(C)(=O)O)c(C)c4)C3)cc12,[*]CCOc1ccc(O[*])c([*])c1,0.39225328
45802,COc1ccccc1N1CCN(CCN2CCC(N(C)C(C)=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8397823
45803,COc1ccccc1N1CCN(CCN2CCC(c3cccnc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73589504
45804,COc1ccccc1N1CCN(CCN2CCC(c3cnc4cc(C#N)ccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8651321
45805,COc1ccccc1N1CCN(CCN2CCC(c3ncc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.86561775
45806,CS(=O)(=O)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.552204
45807,CSOc1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.56672055
45808,Cc1cc(OCCN=S(C)(=O)O)ccc1ONCCc1cccc2c1CCC2,[*]CCOc1ccc(O[*])c([*])c1,0.09043217
45809,Cc1cc(OCCNS(=O)(=O)c2ccc(F)cc2)ccc1ON1C=CC(O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.11267363
45810,Cc1ccccc1N1CCN(CCN2CCC(c3cccc(C(F)(F)F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66988283
45811,O=C1CCc2c(O)cccc2N1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67765516
45812,O=C1c2ccccc2C(=O)N1Cc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58552045
45813,O=[N+](F)c1cccc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61098015
45814,O=c1c2ccccc2n(CCCN2CCN(Cc3cccc(Cl)c3)CC2)c(=O)n1-c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5892712
45815,Oc1ccccc1N1CCN(CCN2CCC(c3ccnc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66599107
45816,CC(C)OC1CCN(CCN2CCN(c3ccccc3Oc3ccc4c(c3)NC(=O)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7992224
45817,CCCN1CCCCC1c1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64129287
45818,CCCOc1ccc(OCCOc2ccccc2C(C)C)c(OCCN)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14575005
45819,CCCOc1ccc(ON)c(C2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35444775
45820,CCCOc1ccc(ON2CCN(CCc3ccccc3OC)CC2)c(OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.60183835
45821,CCN1C(=O)CCc2ccc(OCC(=O)NCCOc3ccc(OSC)c(C)c3)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.075120315
45822,CCOc1ccccc1C1CCN(CCCOc2ccc(OO)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.64106435
45823,CCc1ccc(S(=O)(=O)NS(C)(=O)=O)cc1C(=O)Nc1cc(OCCF)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.03443192
45824,CNC(=O)COc1ccc(-c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34491932
45825,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4cnccn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7680918
45826,COCCOc1ccc(OC)c(N2CCC(c3cccc(NC(C)=O)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2139199
45827,COOc1ccc(OCCN2CCN(c3cc(F)ccn3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.54771256
45828,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccccc4C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7264106
45829,COc1cc2c(cc1O)CCN1Cc3c(C=NCc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7333348
45830,COc1cc2c(cc1OC(=O)C1CCCCC1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43911988
45831,COc1ccc(OCCC(=O)COc2ccc3c(c2)CC(=O)CC3)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10378313
45832,COc1ccc(OCCCC(C)c2ccc(C(C)=O)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.053895827
45833,COc1ccc(OCCCCN2CCN(C)CC2)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.64017606
45834,COc1ccc(OCCCN2CCC(Cc3cccs3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6074359
45835,COc1ccc(OCCN2CCC(Cc3ccccc3)C2)cc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.5822535
45836,COc1ccc(OCCN2CCC(c3ccccc3)CC2)cc1NC(=O)CO,[*]CCOc1ccc(O[*])c([*])c1,0.2723995
45837,COc1ccc(OCCNC(=O)c2ccccc2)cc1S(=O)(=O)OC,[*]CCOc1ccc(O[*])c([*])c1,0.03958573
45838,COc1ccc(OCCNS(C)(=O)=O)cc1CC1CCC(Oc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.16345318
45839,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC2(CCC(=O)Nc3ccccc3CC2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.314264
45840,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Cc2ccccc2OC2CCC2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.30863452
45841,COc1cccc(CN2CCN(CCCCOc3cc4ccccc4s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65450674
45842,COc1cccc(CN2CCN(CCCc3cc(C=Cc4ccccc4)no3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6494652
45843,COc1cccc(Cc2cc3c(cc2OC)C2Cc4cccc(Oc5ccccc5)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66900074
45844,COc1cccc2c1CCC(NCCOc1ccc(ONS(C)(=O)=O)c(C)c1)C2,[*]CCOc1ccc(O[*])c([*])c1,0.6311721
45845,COc1cccc2c1CN1CCc3cc(C=CO)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7108575
45846,COc1ccccc1N1CCN(CCN2CCC(CSc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79479957
45847,COc1ccccc1N1CCN(CCN2CCC(c3ccnc4ccc(O)cc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71054024
45848,Cc1cc(OCCCN2CCC(Cc3ccc(F)cc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.57824636
45849,Cc1cc(OCCN2CCC(S(=O)(=O)Cc3ccc(F)cc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.528955
45850,Cc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1sccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.22002095
45851,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc4ncccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6264697
45852,Fc1cnnc(C2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8190332
45853,O=C(Cl)c1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6228302
45854,O=S1(=O)CCc2ccccc2N1c1cccc(CN2CCN(CCCOC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7468333
45855,O=[N+]([O-])c1cccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38122743
45856,Oc1cc2c(cc1-c1ccccc1OCc1ccccc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5936485
45857,Oc1cccc2c1CN1CCc3cc(COc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7006184
45858,CC(C)C1CCN(CCN2CCN(c3ccccc3-n3cc(-c4ccccc4)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7711852
45859,CCCOc1ccc(OC)c(CNC2CCN(S(C)(=O)=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24395582
45860,CCCOc1ccc(OC)c(NCC2CCc3ccccc3N(C(C)=O)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1825503
45861,CCCOc1ccc(OCN2CCC(C(=O)O)CC2)c(N2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3159911
45862,CCCOc1ccc(OCN2CCN(c3ccccc3OC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6967668
45863,CCCOc1ccc(OCNC(=O)c2ccc(F)c(N3CCN(C)CC3)c2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3370823
45864,CCCc1ccc(OCCc2cc(OCCN=S(C)(=O)O)ccc2OC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.042682055
45865,CCOc1ccc(F)cc1C(=O)C1CCN(c2cc(OCCOC)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21403226
45866,CCOc1ccccc1N1CCN(CCN2CCC(c3ccccc3-c3ccco3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5997913
45867,CCSCCCOc1ccc(OC)c(CNCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.111495055
45868,CNC(=O)c1ccc(Cc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42024627
45869,COC1CCN(CCN2CCN(c3ccccc3-c3nc(-c4ccc(F)cc4)cn3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7144215
45870,COCCCN1CCN(Cc2cccc(C(F)(F)c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6273104
45871,COCCCN1CCN(Cc2cccc(CNC(=O)C3Cc4ccccc4C3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6331041
45872,COCCOc1ccc(OC)c(CNC(=O)c2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03291618
45873,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc[nH]3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7035035
45874,COc1cc2c(cc1OC)C1Cc3cccc(Cc4cccc(CO)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6646602
45875,COc1ccc(Br)cc1C(=O)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6935817
45876,COc1ccc(OCCC2(F)CCC(NCc3ccc(F)c(F)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.15572916
45877,COc1ccc(OCCF)cc1CN1CCN(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.66327053
45878,COc1ccc(OCCN2CCC(c3ccccc3)CC2)cc1C(=O)NSC,[*]CCOc1ccc(O[*])c([*])c1,0.47768298
45879,COc1ccc(OCCN2CCCC(Oc3ccccc3C3CCCCC3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6413626
45880,COc1ccc(OCCNC(C)=O)cc1CNCc1ccc(SC)o1,[*]CCOc1ccc(O[*])c([*])c1,0.02820976
45881,COc1ccc(OCCNCc2ccc(F)cc2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.18272237
45882,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCCC(Oc2ccc(CCCF)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.20309557
45883,COc1ccc2ccc(CC3CCN(Oc4ccc(OCCNS(C)(=O)=O)cc4C)CC3)cc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.18230885
45884,COc1cccc(C(=O)Nc2ccccc2N2CCN(CCN3CCC(SC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.45905343
45885,COc1cccc(CN2CCN(CCCc3cccc4ccc(O)nc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63992333
45886,COc1cccc2c1CN1CCc3cc(NC(=O)Cc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.24514195
45887,COc1ccccc1N1CCN(Oc2ccc(OCCF)cc2S(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.33129597
45888,CSOc1ccc(OCCN2CCC(O)(c3ccc(C(C)=O)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.4376595
45889,Cc1cc(OCCC(C)Cc2ccc3c(c2)CC(=O)NC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.12898776
45890,Cc1cc(OCCN=S(C)(=O)O)ccc1ONCCc1ccc2c(c1)CC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.09337339
45891,Cc1cc(OCCNCCc2ccccc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.15833706
45892,Cc1cc(OCCS(C)(=O)=O)ccc1OC(O)CCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.11214158
45893,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCC(COc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2707933
45894,Cc1ccc([SH]2CN(Oc3ccc(OCCNC(=O)c4ccc(F)cc4)cc3C)CCC(O)=N2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.08542996
45895,Cc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccccc4)no3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6823575
45896,Cc1ccccc1N1CCN(CCN2CCC(c3cccnc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64000714
45897,O=C(CCc1ccccc1)Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.26118952
45898,O=S(=O)(NCCCN1CCN(Cc2cccc(F)c2)CC1)c1ccc(C2CCCCC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5300136
45899,O=[N+]([O-])c1ccc(COCc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58468837
45900,Oc1c2ccccc2cn1-c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6917747
45901,CCCC#Cc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.84341204
45902,CCCOc1ccc(OC(N)=O)c(N2CCN(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1553808
45903,CCCOc1ccc(OC)c(CN(CC)CCc2ccc3c(c2)N(S(C)(=O)=O)CCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29372787
45904,CCCOc1ccc(OCCCc2ccccc2)c(NC=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10949913
45905,CCCOc1ccc(ON=S(C)(=O)O)c(CC2CCc3cc(F)ccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3896718
45906,CCCOc1ccc(OOC)c(CCNC(=O)c2cccc(OC)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.021936651
45907,CCCOc1ccc(OOCCF)c(CNC(=O)c2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.023710389
45908,CCCOc1ccc(OS(C)(=O)=O)c(C2CCN(CCc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.68378925
45909,CCCOc1ccc(OS(C)(=O)=O)c(NCCc2ccoc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.052425373
45910,CCCSc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7077405
45911,CCOc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79984385
45912,COC(=O)OCc1ccc(-c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4651704
45913,COC1CCN(CCN2CCN(c3ccccc3-c3cc(O)ncc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67736936
45914,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7201709
45915,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3ccc4nccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6531793
45916,COCC1CCN(c2cc(OCCNC(=O)c3cccs3)ccc2OC)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2143475
45917,COCCCN1CCN(Cc2cccc(Cc3nccs3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5498943
45918,COCCOc1ccc(OC)c(N2CCC(c3ccccc3C=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31656176
45919,COCc1cc2c(cc1O)CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5672727
45920,COOc1ccc(OCCN2CCC(c3cccc(OC(F)(F)F)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6622886
45921,COOc1ccc(OCCNCCc2ccc3c(c2)OCCC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.26543564
45922,COc1cc2c(cc1C(O)=Cc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6858804
45923,COc1cc2c(cc1Cl)CCN1Cc3c(CNC(=O)c4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40668064
45924,COc1ccc(-c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)cc1OC,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7428409
45925,COc1ccc(CNc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48508236
45926,COc1ccc(OCCCN2CC(Cc3ccccc3)CCO2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.2492203
45927,COc1ccc(OCCF)cc1CS(=O)(=O)c1ccccc1C1CCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.21252942
45928,COc1ccc(OCCN2CCCC(c3cc4cc(F)ccc4o3)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.47574908
45929,COc1ccc(OCCNC(C)=O)cc1NCCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.062044796
45930,COc1ccc(OCCNS(=O)(=O)Cc2ccc(S(C)(=O)=O)cc2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.04573829
45931,COc1ccc(OCCS(C)(=O)=O)cc1CCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.10855291
45932,COc1cccc(CN2CCN(CCCC3(C)C(=O)Nc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5583376
45933,COc1cccc2c1CN1CCc3cc(C=NOCc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67591643
45934,COc1ccccc1C1CCN(CCOc2ccc(OC)c(S(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.65608436
45935,COc1ccccc1N1CCN(CCN2CCC(c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9037048
45936,Cc1cc(OCCCNS(C)(=O)=O)ccc1ON1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22470966
45937,Cc1cc(OCCN2CCc3ccccc3CC2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.6519223
45938,Cc1cccc(CN2CCN(CCCCc3cc4ccccc4s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7157524
45939,Cc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccc(F)cc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6123577
45940,Cc1ccccc1OC1CCCN(Oc2ccc(OCCN=S(C)(=O)O)cc2C)C1,[*]CCOc1ccc(O[*])c([*])c1,0.123586096
45941,O=C(NCCCCN1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)C1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5069369
45942,O=c1c2ccccc2on1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6562416
45943,Oc1cc2c(cc1-c1nccc3ccccc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6192493
45944,Oc1ccccc1N1CCN(CCN2CCC(c3ccc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68278515
45945,Oc1cn(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c2ccccc12,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6497483
45946,C#Cc1cc(OCCC)ccc1OOC,[*]CCOc1ccc(O[*])c([*])c1,0.11466148
45947,CC(=O)NOc1ccc(OCCNCc2ccc(S(C)(=O)=O)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.050083373
45948,CC(=O)c1ccc(CC2CCN(CCOc3ccc(ON=S(C)(=O)O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.45390663
45949,CCCOc1ccc(OC)c(CNC(=O)c2ccc(N3CCNC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15440987
45950,CCCOc1ccc(OCc2ccccc2OCC)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15579338
45951,CCCOc1ccc(ON(C)C)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11544016
45952,CCCOc1ccc(ONS(C)(=O)=O)c(C(=O)COc2ccc3c(c2)NC(=O)CCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23111786
45953,CCCOc1ccc(OS(C)(=O)=O)c(C2CCN(c3ccccc3OCCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28275383
45954,CCCOc1ccc(OS(C)(=O)=O)c(N2CCN(c3ccccc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19383883
45955,CCCOc1ccc(OS(C)(=O)=O)c(NCCc2ccc(C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.045755636
45956,CCOCc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6526941
45957,CNC(C)c1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8100322
45958,COC(=O)C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78503394
45959,COOc1ccc(OCCOCc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.14082773
45960,COc1cc2c(cc1O)C1Cc3cccc(-c4cccc5ccn(C)c45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66200054
45961,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccc(CC(F)(F)F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71949387
45962,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(COC(C)NC=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5651575
45963,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)NCc4ccc(CNC(C)=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46119785
45964,COc1ccc(OCCC(N)=O)cc1CCOc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.0295045
45965,COc1ccc(OCCC2(F)CCC(NCc3ccc(F)cc3)CC2)cc1OS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.1634431
45966,COc1ccc(OCCCN=O)cc1-c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.09782332
45967,COc1ccc(OCCCS(=O)(=O)Cc2ccc(F)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.11651787
45968,COc1ccc(OCCCS(=O)(=O)c2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.09451097
45969,COc1ccc(OCCN2CCC(c3ccc(F)cc3)CC2)cc1[SH](C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.66209984
45970,COc1ccc(OCCN2CCC3(CCCCC3c3ccccc3)CC2=O)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.2950498
45971,COc1ccc(OCCN=CO)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.76303387
45972,COc1cccc(CN2CCN(CCCN3CCN(c4cccc(OC)c4)C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61559206
45973,COc1cccc2c1CN1CCc3cc(O)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69056225
45974,COc1cccc2c1CN1CCc3cc(O)c([N+](=O)[O-])cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5676432
45975,COc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccccc4)ncn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77890027
45976,COc1ccccc1Oc1cc2c(cc1OC)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7275486
45977,CSc1ccc(CC(=O)N2CCN(Oc3ccc(OCCF)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.068400025
45978,CSc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7830059
45979,Cc1cc(OCCF)ccc1ON1CCC(Cc2ccc3ccccc3c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27741164
45980,Cc1cc(OCCNC(=O)CCc2ccc3c(c2)NC(=O)CC3)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.041633744
45981,Cc1cc(OCCNC(=O)c2cccc(C3CCNCC3)c2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.054327387
45982,Cc1cc(OCCNS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.0314881
45983,Cc1cc2c(cc1O)C1Cc3cccc(CO)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6895674
45984,Cc1cccc(Cc2cccc3c2CN2CCc4cc(O)c(Cl)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6586982
45985,Cc1cccc2c1CN1CCc3cc(OS(=O)(=O)C(F)(F)F)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5687405
45986,Cn1cccc1-c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6827754
45987,O=C(Cc1ccccc1)NC1CCN(CCN2CCN(c3ccccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66048944
45988,O=C1NCCCN1Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48728493
45989,O=C1c2ccccc2CCN1Cc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7653613
45990,O=[N+](O)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63946843
45991,OCc1cccc(CN2CCN(CCCCc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7871325
45992,Oc1cccc(Cc2cc3c(cc2Br)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71653706
45993,Oc1cccc2c1CN1CCc3cc(CNOCc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6259379
45994,Oc1ncc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c2ccccc12,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7260179
45995,CC=S(=O)(O)Nc1cc(OCCNC(=O)c2ccc(F)cc2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.030810067
45996,CCCCNCCOc1ccc(OC)c(NS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16271603
45997,CCCOc1ccc(OC(N)=O)c(N2CCC(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19883117
45998,CCCOc1ccc(OF)c(NCCc2ccc3c(c2)N(C(C)=O)CCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1607612
45999,CCCOc1ccc(ONC(C)c2ccccc2)c(CN(C)CC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15419225
46000,CCOCCCN1CCN(Cc2cccc(N3CCCc4ccccc4C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6486942
46001,CCOc1ccccc1N1CCN(CCN2CCC(Oc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8598008
46002,CCc1ccccc1OC1CCCN(CCOc2ccc(OC)c(SC)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.4622703
46003,COCCOc1ccc(OC)c(NC(=O)c2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.026116252
46004,COOc1ccc(OCCCC(=O)N2CC(C)Cc3ccccc32)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.25079185
46005,COOc1ccc(OCCNCCc2ccc3c(c2)CCC(=O)N3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.16486046
46006,COc1cc2c(cc1-c1ccccc1C)C1Cc3cccc(OCc4ccc[nH]4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61366856
46007,COc1cc2c(cc1C[N+](=O)[O-])CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6198037
46008,COc1cc2c(cc1Cc1cccc([N+](=O)O)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7301081
46009,COc1cc2c(cc1O)C1Cc3cccc(NC(=O)COc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.27236742
46010,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc([N+](=O)[O-])cc4CO)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4986194
46011,COc1ccc(Cc2cccc3c2CN2CCc4cc(-c5ccccc5)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6283057
46012,COc1ccc(OCCC(=O)NSC)cc1N1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.13970809
46013,COc1ccc(OCCC(C)C)cc1CN1CCN(C(=O)c2ccc(SC)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.09738272
46014,COc1ccc(OCCCF)cc1CNS(=O)(=O)c1ccccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.12959072
46015,COc1ccc(OCCN2CCC(c3ccc(F)cc3)CC2C)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.41520137
46016,COc1ccc(OCCN2CCCC(Oc3ccc(C(C)=O)cc3)C2)cc1C(=O)S,[*]CCOc1ccc(O[*])c([*])c1,0.32547468
46017,COc1ccc(OCCNCCc2ccc(F)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.16201964
46018,COc1ccc(OCCNS(=O)(=O)c2ccc(CC(C)C)cc2)cc1SC(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.023533415
46019,COc1ccc(OCCS(=O)(=O)Cc2ccc(SC)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.053741056
46020,COc1ccc(OCCS(C)(=O)=O)cc1CCCc1ccccc1OC1CC2CCCC(C1)N2,[*]CCOc1ccc(O[*])c([*])c1,0.22584262
46021,COc1cccc(CN2CCN(CCCC(=O)C3Cc4ccccc4C3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5731479
46022,COc1ccccc1-c1cc(C(=O)NCCN2CCN(O)CC2)ccc1Br,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3583655
46023,COc1ccccc1-c1cc(C(=O)NCCN2CCN(OC(C)C)CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.34364423
46024,COc1ccccc1C(=O)NCc1ccccc1N1CCN(CCN2CCC(C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6092305
46025,COc1ccccc1CC1CCN(CCOc2ccc(OC(N)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.45621723
46026,COc1ccccc1N1CCN(CCN2CCC(n3c(O)nc4c(F)cccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7743332
46027,COc1ccccc1N1CCN(Oc2ccc(OCCC(O)CCc3ccccn3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24373272
46028,Cc1cc(OCCN2CCC(CCCc3ccc(F)cc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.537372
46029,Cc1cc(OCCN2CCC(Cc3ccc4ccccc4c3)NC2=O)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.24420875
46030,Cc1cc(OCCN2CCC(NC(=O)c3ccc(C(C)C)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.41164237
46031,Cc1cc2c(cc1C(O)=Cc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6261119
46032,Cc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3ccccc3C#N)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6205549
46033,FC(F)(F)c1ccccc1N1CCN(CCN2CCC(c3cncc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.793164
46034,O=C(NCc1ccccc1N1CCN(CCN2CCC(O)CC2)CC1)c1ccc2ccccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6326497
46035,O=C(O)c1cc2c(cc1-c1cc(F)cc(F)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51199865
46036,O=S1(=O)N=C(c2cccc(CN3CCN(CCCF)CC3)c2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59020245
46037,Oc1cc2c(cc1Cc1ccc(Cl)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7502998
46038,CCCN1CCN(CCOc2ccc(ONS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.36202288
46039,CCCOc1ccc(OC)c(CN2CCC(C(=O)Nc3ccc(C(C)=O)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12823528
46040,CCCOc1ccc(ON2CCN(c3ccccc3OCCC)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39445326
46041,CCCOc1ccc(ONOC)c(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35918158
46042,CCCOc1ccc(ONS(C)(=O)=O)c(-c2c(CC3CCCCC3)ccc3c2CCC(=O)N3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11737231
46043,CCCOc1ccc(OS(C)(=O)=O)c(COc2ccc(CN)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.125377
46044,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(Cc3ccc(F)cc3F)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22092503
46045,CCCOc1ccc(OS(C)(=O)=O)c(NCC(F)Cc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07093199
46046,CCCOc1ccc(OSC)c(Nc2ccccc2OCC(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09455289
46047,CNOc1ccc(OCCNS(=O)(=O)c2cccs2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.07879707
46048,COC1CCN(CCN2CCN(c3ccccc3-n3cc(-c4ccc(F)cc4)c4cc(CO)ccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6622439
46049,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3cc(F)ccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64465153
46050,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6810742
46051,COCCCN1CCN(Cc2cccc(NC(=O)C3CCCCCC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.30501178
46052,COCCOc1ccc(OCCCn2cc(C)cc2O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05629516
46053,COCc1cc2c(cc1O)CCN1Cc3c(Cc4cccc(C#N)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51078504
46054,COOc1ccc(OCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.77783704
46055,COc1cc(NC2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)c(OC)c(OC)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68316394
46056,COc1cc2c(cc1-c1ccc3cc(N)ccc3c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72054565
46057,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(C)=O)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57391953
46058,COc1ccc(OCCCF)cc1CNC(=O)c1cc(C)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.02167233
46059,COc1ccc(OCCCNC(=O)c2ccc(F)cc2)cc1SCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.07705185
46060,COc1ccc(OCCN2CCN(C(=O)c3ccccc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.20792398
46061,COc1ccc(OCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1[N+](=O)[O-],[*]CCOc1ccc(O[*])c([*])c1,0.6558213
46062,COc1cccc2c1CN1CCc3cc(Nc4cccc5ccccc45)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50674546
46063,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.80340385
46064,COc1ccccc1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67053515
46065,COc1ccccc1N1CCN(CCN2CCC(c3ccc4nc(O)cnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.751674
46066,COc1ccccc1N1CCN(CCN2CCC(c3cncnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87087953
46067,COc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccc(F)cc4)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84032226
46068,CSOc1ccc(OCCN2CCCC2COc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.4050099
46069,CSOc1ccc(OCCNC(=O)c2ccc(OC3CCC(CN)CC3)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.04835953
46070,CSOc1ccc(OCCNCCc2ccc(OC3CCCCC3)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.17592762
46071,Cc1cc(OCCF)ccc1ON1CCN(Cc2ccc(S(C)(=O)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.270563
46072,Cc1cc(OCCN2CCC(c3ccccc3OC3CC3)CC2)ccc1OS(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6199506
46073,Cc1cc(OCCSCCCc2ccc3c(c2)NC(=O)CC3)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1858936
46074,Cc1ccc(C(=O)NCCN2CCN(Cl)CC2)cc1-c1cccs1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2761715
46075,Cc1ccc(C2CCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.56682533
46076,Cc1ccccc1N1CCN(CCN2CCC(Oc3cccc(F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7610673
46077,Clc1cccc(CN2CCN(CCCC3OCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7270784
46078,O=S(=O)(NCc1cccc(CN2CCN(CCCCl)CC2)c1)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5649941
46079,Oc1ccc2c(c1)OC(c1cccc(CN3CCN(CCCF)CC3)c1)CC2,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7538769
46080,Oc1cnc2ccc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)cc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6369558
46081,CC(=O)OCCOc1ccc(OCN2CCC(Cc3ccc4c(c3)NC(=O)CCS4)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2557581
46082,CC(=O)OCCOc1ccc(ON2CCC(c3ccccc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12708439
46083,CC(C)(C)OC(=O)Nc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.36508626
46084,CCCOc1ccc(OC(C)=O)c(N2CCCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12549277
46085,CCCOc1ccc(OCS(N)(=O)=O)c(N2CCC(c3ccc(CC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25625727
46086,CCCOc1ccc(OF)c(CNC(=O)c2ccccc2N2CCNCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.171968
46087,CCCOc1ccc(OOC)c(-c2ccc(OCC)c(OC)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08822213
46088,CCCOc1ccc(OS(=O)(=O)c2ccccc2)c(OC2CCN(C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4635541
46089,CCCOc1ccc(OS(C)(=O)=O)c(CN2CCC(c3ccccc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4999826
46090,CCCOc1ccc(OS(C)(=O)=O)c(NCC(C)Cc2ccc3c(c2)CC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16542016
46091,CCCOc1ccc(OS(N)(=O)=O)c(CCCc2ccc3c(c2)NC(=O)CCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27512574
46092,CCCOc1ccc(O[SH](C)(N)=O)c(CN2CCC(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.54410243
46093,CCNCCc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6759767
46094,COCCCN1CCN(Cc2cccc(-n3ccccc3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.638511
46095,COCCCN1CCN(Cc2cccc(CNC(=O)C3CCc4ccccc4C3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.649036
46096,COCCCN1CCN(Cc2cccc(Cc3ccccn3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4963927
46097,COCCOc1ccc(OC)c(C2CC(c3ccc(F)cc3)CCN2CF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39267376
46098,COc1cc(C(F)(F)F)ccc1OCc1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78408074
46099,COc1cc2c(cc1Cc1ccc(-c3ccccc3)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72852725
46100,COc1cc2c(cc1O)C1Cc3cccc(-c4cc(CO)ccc4OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65873206
46101,COc1cc2c(cc1O)CCN1Cc3c(cccc3OC(=O)c3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5060218
46102,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)NCc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47457933
46103,COc1cc2c(cc1OS(C)(=O)=O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71472126
46104,COc1ccc(C(=O)NCCN2CCN(O)CC2)cc1-c1cccc(O)c1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.40801582
46105,COc1ccc(OCCCCNC(=O)c2cccc(C(F)(F)F)c2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.061580554
46106,COc1ccc(OCCCOc2ccccc2C(C)C)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13754664
46107,COc1ccc(OCCN(C)C)cc1N1CCC(Oc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.46754032
46108,COc1ccc(OCCN=S(C)O)cc1CCOc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.11140399
46109,COc1ccccc1C1CCN(CCOc2ccc(ON3CCCCC3)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.52336717
46110,COc1ccccc1N1CCN(CCN2CCC(c3c(O)nc4ccccn34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7941297
46111,CSOc1ccc(OCCN2CCC(CC3=CC=C4C=CC=CC=C4O3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.28594106
46112,CSOc1ccc(OCCNCc2ccccc2OCCF)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.21246855
46113,Cc1cc(OCCN2C3CCC2CC(c2ccccc2F)C3)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2667833
46114,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)N(C)C(=O)CC4)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.50754017
46115,Cc1cc(OCCN2CCCCC(c3ccccc3)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.41931033
46116,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(S(=O)(=O)c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.16715813
46117,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)NC(=O)CC3)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06351115
46118,Cc1cc(OCCNS(=O)(=O)c2ccc(F)cc2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.055945043
46119,O=C(NCc1cccc(CN2CCN(CCCCO)CC2)c1)c1cc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.50868666
46120,O=S1(=O)CNC(CCCN2CCN(Cc3cccc(Cl)c3)CC2)N1c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5742703
46121,O=c1[nH]c2ccccc2c(=O)n1CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4816642
46122,Oc1cc2c(cc1C=NOCCc1ccccc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61044145
46123,C#Cc1cccc2c1CN1CCc3cc(C)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67529404
46124,CC(=O)Oc1ccc(OCCN2CCN(c3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5322498
46125,CCCOc1ccc(ON2CCN(c3ccccc3OCC)CC2)c(OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40366074
46126,CCCOc1ccc(ONS(C)(=O)=O)c(CCCc2ccc3c(c2)CC(=O)NC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22778055
46127,CCCOc1ccc(OOC)c(CNC(=O)c2cccc(CN3CCCC3)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13174954
46128,CCCOc1ccc(OS(C)(=O)=O)c(CC2CNC(=O)C=C2c2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13296221
46129,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)COc2ccc(CC(F)(F)F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.006616622
46130,CCCn1cc(CCOc2ccc(OC)c(S(C)(=O)=O)c2)c2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.14069316
46131,CCOc1ccccc1N1CCCN(Cc2cc(OCCF)ccc2OOC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8179149
46132,CCc1ccccc1N1CCN(CCN2CCC(Nc3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8035571
46133,CNCc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62029254
46134,COC(=O)C1c2ccccc2CN1CCCN1CCN(Cc2cccc(OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55047977
46135,COC(=O)N1c2ccccc2CC1c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60171956
46136,COC(=O)c1ccccc1N1CCN(CCN2CCC(c3ccccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.660212
46137,COCCCN1CCN(Cc2cccc(-n3c(=O)ccc4ccccc4c3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4902992
46138,COCCCN1CCN(Cc2cccc(CNc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4202822
46139,COCCOc1ccc(OC2CCN(CCc3ccc(F)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.66991127
46140,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccccc1[N+]([O-])[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3191106
46141,COc1cc2c(cc1CN(C)OCc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69104874
46142,COc1cc2c(cc1CNC(=O)c1cccc(C#N)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43122485
46143,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc[nH]4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72374994
46144,COc1cc2c(cc1O)CCN1Cc3c(CCc4ccc(C#N)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79081815
46145,COc1ccc(OCCF)cc1N1CCN(Cc2ccccc2S(=O)(=O)N(C)C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6353707
46146,COc1ccc(OCCF)cc1NS(=O)(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.08357358
46147,COc1ccc(OCCN(C)C)cc1NC(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.022936426
46148,COc1ccc(OCCNC(=O)C=Cc2ccc(F)cc2)cc1C(=O)Nc1ccccc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.012988315
46149,COc1ccc2nc(O)cc(C3CCN(CCN4CCN(c5ccccc5OC)CC4)CC3)c2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8264227
46150,COc1cccc(C2CCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.70220655
46151,COc1cccc(CN2CCN(CCCn3c(=O)oc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65226567
46152,COc1cccc2c1CN1CCc3cc(OCc4ccccc4C)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6665115
46153,COc1ccccc1N1CCN(CCN2CCC(Nc3ccc(-c4cccnn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81850594
46154,COc1ccccc1N1CCN(CCN2CCC(c3ccc(N)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9048002
46155,COc1ccccc1Nc1cc(OCCN(C)C)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.18107918
46156,CSOc1ccc(OCCN2CCC(Cc3ccc(OC4CCNC4=O)c(C)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.4932085
46157,CSOc1ccc(OCCN2CCC(c3ccc(CC(F)(F)F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.60459375
46158,CSc1ccccc1N1CCN(CCN2CCC(c3nnc(-c4ccccc4)o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6636569
46159,Cc1cc(OCCCOc2ccc(F)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.10438247
46160,Cc1cc(OCCN2CCC(Cc3cccs3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5621077
46161,Cc1ccccc1N1CCN(CCN2CCC(OCc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6923211
46162,ClCCCN1CCN(Cc2cccc(-c3ccc4cccccc3-4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.74289626
46163,O=C(C=CCCCN1CCN(Cc2cccc(Cl)c2)CC1)NC1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5556766
46164,OCCCN1CCN(Cc2cccc(-c3cc4ccccc4s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6787036
46165,ON=CNc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55569255
46166,Oc1cc2c(cc1Cc1cc3ccccc3[nH]1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71486104
46167,Oc1cc2c(cc1O)C1Cc3cccc(OCc4ccc(F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72367835
46168,CC(=O)NCCOc1ccc(ONS(C)(=O)=O)c(CN2CCC(Cc3ccc4c(c3)NC(=O)CCS4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2659964
46169,CC(C)Oc1cccc2c1CN1CCc3cc(Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.735159
46170,CC(O)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70293045
46171,CC1CCN(CCN2CCN(c3ccccc3-n3ccc(-c4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7447076
46172,CCCOc1ccc(ON2CCCC(Cc3ccccc3)C2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3706263
46173,CCCOc1ccc(ONS(C)(=O)=O)c(NC(=O)CCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0052193124
46174,CCCOc1ccc(OS(N)(=O)=O)c(CN2CCC(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.44204974
46175,CCCOc1ccc(OS(N)(=O)=O)c(NC(=O)COc2ccc(CCC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.007612917
46176,COC(=O)Nc1cccc(CCCCN2CCN(Cc3cccc(Cl)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.41247827
46177,COC1CCN(CCN2CCN(c3ccccc3-c3cccc(-c4ccc(F)cc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81365025
46178,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccc(-c4ccccc4)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.46172696
46179,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3cccc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4480186
46180,COCCCN1CCN(Cc2cccc(Nc3ccccn3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46191904
46181,COCCOc1ccc(OC)c(Cc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1585403
46182,COc1cc(C(=O)NCCN2CCN(c3ccccc3[N+](=O)[O-])CC2)ccc1S(C)(=O)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.6051933
46183,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)OCc4ccc(N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48827943
46184,COc1cc2c(cc1OC)CCN(CCOc1ccc(ONS(C)(=O)=O)c(C)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.5116157
46185,COc1ccc(Cc2cccc3c2CN2CCc4cc(C)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66243607
46186,COc1ccc(Cc2cccc3c2CN2CCc4cc(Cl)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6200204
46187,COc1ccc(OCCCC(=O)Cc2ccc(F)cc2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.070034996
46188,COc1ccc(OCCCC(C)Cc2ccc3c(c2)NC(=O)CC3)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.20825349
46189,COc1ccc(OCCCc2ccc(C(C)=O)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.052832916
46190,COc1ccc(OCCN2CCC(Oc3ccc(F)cc3)CC2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.63909966
46191,COc1ccc(OCCN2CCCC(c3ccccc3C)C2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.50477725
46192,COc1ccc(OCCN2CCN(c3ccccc3OC(C)C)CC2)cc1S(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.89283645
46193,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Oc2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.292222
46194,COc1ccc(OCCS(C)(=O)=O)cc1NCC1CCc2cccc(CC3CCC3)c2C1,[*]CCOc1ccc(O[*])c([*])c1,0.37210634
46195,COc1cccc(CN2CCN(CCCCc3cccc4ncccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.604241
46196,COc1ccccc1N1CCN(CCN2CCC(COc3ccc(-c4cncnc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8851605
46197,CSOc1ccc(OCCCCOc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.2430831
46198,CSOc1ccc(OCCN2CC=C(c3cccc(C(=O)NC(C)C)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.26978707
46199,Cc1cc(OCCCCOc2ccc3c(c2)NC(=O)CCC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.20428525
46200,Cc1cc(OCCF)ccc1OC1CCN(S(=O)(=O)c2ccccc2F)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.14698875
46201,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)CCC(=O)NC4)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.60968
46202,Cc1cc(OCCN2CCC(Sc3ccccc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5596638
46203,Cc1cc(OCCNCCc2ccc(F)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13289936
46204,Cc1cc(OCCOC(=O)CCc2ccc3c(c2)NC(=O)CC3)ccc1ON=S(C)(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10355861
46205,Cc1cccc(OCC(=O)NCCOc2ccc(OS(C)(=O)=O)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.00959689
46206,Cc1cccc2c1CN1CCc3cc(OCc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6423161
46207,O=C(NCc1cccc(CN2CCN(CCCCl)CC2)c1)C1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.52506655
46208,O=C(NCc1cccc(CN2CCN(CCCF)CC2)c1)C1CCCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6233503
46209,O=S1(=O)CN(Cc2cccc(CN3CCN(CCCC(F)(F)F)CC3)c2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57868135
46210,OCCc1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6542413
46211,Oc1cc2c(cc1O)C1Cc3cccc(NCCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46344298
46212,CC(=O)CCCN1CCN(Cc2cccc(CN3C(=O)c4ccccc4C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4771697
46213,CC(=O)c1ccc(SCCCCOc2ccc(ON=S(C)(=O)O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.0617287
46214,CC=S(O)(O)=Nc1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61540127
46215,CCCCCN1CCN(Cc2cccc(Oc3ccc4c(c3)NC(=O)CC4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7134519
46216,CCCCc1ccc(S(=O)(=O)NCCOc2ccc(OS(C)(=O)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07895954
46217,CCCOc1ccc(OC(N)=O)c(CCc2ccccc2OC2CCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12127511
46218,CCCOc1ccc(ON2CCN(C)CC2)c(-c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.41668826
46219,CCCOc1ccc(OOS(C)(=O)=O)c(Cc2ccc(F)c(OC)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.083703354
46220,CCCOc1ccc(OS(=O)(=O)O)c(CN2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.48950762
46221,CCCOc1ccc(OSC)c(-c2cc(OC)ccc2CCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15122187
46222,CCOCOc1ccc(OCCOC)cc1CN1CCCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.74290127
46223,CN(C)c1ccc(Cc2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75921905
46224,CNS(=O)(=O)Oc1ccc(OCCNCCc2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.15837696
46225,COC1CCN(CCN2CCN(c3ccccc3COc3ccccc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75730884
46226,COCCCN1CCN(Cc2cccc(Cc3ccc4ccccc4n3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.45276788
46227,COCc1cc2c(cc1Cl)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7280486
46228,CON1CCN(CCNC(=O)c2ccc(-c3cccc(C#N)c3)c(O)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3342898
46229,COOc1ccc(OCCCCOc2ccc(F)cc2)cc1CCF,[*]CCOc1ccc(O[*])c([*])c1,0.13853356
46230,COOc1ccc(OCCNCCCc2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.26786062
46231,COc1c(-c2cccc3c2CN2CCc4cc(O)c(CO)cc4C2C3)ccc2ccccc12,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59148306
46232,COc1cc(COc2cc3c(cc2O)CCN2Cc4c(C)cccc4CC32)ccc1CO,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5404527
46233,COc1cc2c(cc1C(C)c1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6197492
46234,COc1cc2c(cc1O)C1Cc3cccc(C=Cc4ccc(C=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7578241
46235,COc1cc2c(cc1O)CCN1Cc3c(C#Cc4ccc(C#N)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8268125
46236,COc1cc2c(cc1OC(=O)OC(C)(C)C)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49241865
46237,COc1ccc(CC(F)CCOc2ccc(OC)c(S(C)(=O)=O)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.0781887
46238,COc1ccc(OCCCN2CCC(c3cccc(NC(C)=O)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.67958343
46239,COc1ccc(OCCCN2CCC(c3ccccc3)CC2)cc1O,[*]CCOc1ccc(O[*])c([*])c1,0.72051
46240,COc1ccc(OCCCS(N)(=O)=O)cc1NC(=O)Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.011335764
46241,COc1ccc(OCCN2CCC(c3ccc(Cl)cc3)CC2)cc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.76239514
46242,COc1ccc(OCCNC(=O)CSc2ccccc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.040807094
46243,COc1ccc(OCCS(C)(=O)=O)cc1CCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.109312385
46244,COc1cccc(CN2CCN(CCCCC(=O)c3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6574004
46245,COc1cccc2c1CN1CCc3cc(C(=O)c4ccc(C#N)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50655776
46246,COc1cccc2c1CN1CCc3cc(NC(=O)C4CCCCC4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32650417
46247,COc1ccccc1N1CCN(CCN2CCC(Oc3ccc4ccc(O)cc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78785414
46248,Cc1cc(OCCNS(=O)(=O)c2ccccc2)ccc1Oc1ccc(CC2CCCN2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.16928443
46249,Cc1ccc(C)c(C2CCCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38229898
46250,Cc1cccc(CN2CCN(CCCC(=O)N3CCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5109864
46251,Cc1ccccc1N1CCN(CCN2CCC(c3nc(O)nc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6242318
46252,Clc1cccc(CN2CCN(CCCc3cccc(-c4cccs4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7015443
46253,Cn1c(O)cnc1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67711973
46254,Oc1ccc2ccc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)cc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7513779
46255,Oc1ccn(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78905433
46256,CC=S(O)(O)=NCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6000396
46257,CCCOc1ccc(OF)c(N2CCN(C(C)=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.053285573
46258,CCCOc1ccc(ON2CCC(Cc3ccccc3)CC2)c(C(=O)OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15536045
46259,CCCOc1ccc(ON2CCN(Cc3ccc(F)cc3)CC2)c(C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.48524463
46260,CCCOc1ccc(OS(C)(=O)=O)c(NCC2CCCc3c(OC)cccc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2657735
46261,CCCOc1ccc(OSC)c(NC(=O)COc2ccccc2CC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0072716298
46262,CCOc1cccc2c1CN1CCc3cc(-c4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6718294
46263,CNC1=c2ccccc2=CC=C(c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)C=COC1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41030106
46264,COC1CCN(CCN2CCN(c3ccccc3-n3ccc(C4CC4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73026323
46265,COCCCN1CCN(Cc2cccc(CNC(=O)c3cc4ccccc4cn3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.45157462
46266,COOc1ccc(OCCC(F)COc2ccccc2N2CCCCC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.20921493
46267,COOc1ccc(OCCN2CCC(NS(=O)(=O)c3cc(Cl)ccc3F)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5636723
46268,COc1cc2c(cc1CSc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.652128
46269,COc1cc2c(cc1O)C1Cc3cccc(CNCc4cccc(C)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61246586
46270,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)OCc4ccc([N+](C)=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4800567
46271,COc1cc2c(cc1OC)C1Cc3cccc(C[N+](C)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7468077
46272,COc1cc2c(cc1OCc1cccnc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6788605
46273,COc1ccc(C(=O)NCCN2CCN(C=O)CC2)cc1-c1cccc(Cl)c1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3787201
46274,COc1ccc(C=Cc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.81828743
46275,COc1ccc(OCCC(=O)Cc2ccc3c(c2)CCCC3)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.096935414
46276,COc1ccc(OCCC(C)C)cc1N1CCC(CNC(=O)c2ccc(SC)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.19601129
46277,COc1ccc(OCCC(N)=O)cc1CC(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.03818347
46278,COc1ccc(OCCCCNC(=O)c2ccccc2OC)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.0280669
46279,COc1ccc(OCCN)cc1CF,[*]CCOc1ccc(O[*])c([*])c1,0.09740806
46280,COc1ccc(OCCN2CCC(Cc3ccc(F)cc3)CC2)cc1S(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.60891795
46281,COc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1S(=O)(=O)Cc1ccc(SC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.014499772
46282,COc1ccc(OCCS(C)(=O)=NO)cc1NCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.059159733
46283,COc1cccc2c1CN1CCc3cc(Cc4cccc(C#N)c4)c(C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5978214
46284,COc1cccc2c1CN1CCc3cc(NS(=O)(=O)C(F)(F)F)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5501538
46285,COc1ccccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1NS(C)(=O)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31121874
46286,COc1ccccc1C(=O)Nc1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.43977377
46287,COc1ccccc1N1CCN(CCN2CCC(CNC(=O)OCc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79237956
46288,CS(=O)(=O)NOc1ccc(OCCF)cc1N1CCCC(Cc2ccc(CC3CCC(=O)N3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21727736
46289,Cc1cc(OCCCOc2ccc(F)cc2)ccc1ONC(=O)Cc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.017456174
46290,Cc1cc(OCCNCCc2ccc(OC3CCCC3)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.12860996
46291,Cc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)s1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59907305
46292,Cc1cccc2c1CN1CCc3cc(O)c(OC(=O)c4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39354193
46293,ClC1CCN(CCN2CCN(c3ccccc3-c3ncco3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.786654
46294,O=C1CCc2ccc([N+](=O)[O-])cc2N1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4812972
46295,Oc1[nH]cc2cccc(Cc3cccc(CN4CCN(CCCCl)CC4)c3)c12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5942524
46296,Oc1cc(C2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)c2ccc(F)cc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7703765
46297,Oc1cccc(-c2ccc(-c3cccc(CN4CCN(CCCF)CC4)c3)cc2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68399
46298,C=Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64117813
46299,CC(=O)N1CCN(COc2ccc(OCCC(C)C)cc2OC(C)C)Cc2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.29857823
46300,CC1CCN(CCN2CCN(c3ccccc3-c3cnccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7759737
46301,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23151022
46302,CCCOc1ccc(ONC)c(CNc2ccccc2C(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.100002505
46303,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCc3ccc(CC(C)=O)cc3CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25310162
46304,CCCOc1ccc(ONS(C)(=O)=O)c(NC(=O)CCc2ccc3c(c2)CC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.075782925
46305,CCCOc1ccc(OOC)c(N2CCN(Cc3cccc(F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.78276694
46306,CCc1ccc(C2CCN(Oc3ccc(OCCNS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.24221689
46307,CCc1ccc(CSCCOc2ccc(ONS(C)(=O)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.03665145
46308,COC(=O)NCc1ccccc1-c1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43345192
46309,COC1CCN(CCN2CCN(c3ccccc3-c3cc(-c4ccc(F)cc4)ncn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77643436
46310,COC1CCN(CCN2CCN(c3ccccc3-c3cc(-c4ccccc4)nn3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70518893
46311,COC1CCN(CCN2CCN(c3ccccc3-c3cn(Cc4ccccc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81280804
46312,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccc4ccnn4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6112429
46313,COCCOc1ccc(OC)c(CC(=O)Nc2ccc(F)c(F)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.006792305
46314,COCCOc1ccc(ONCCc2ccc(F)cc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0576209
46315,COCNS(=O)(=O)Oc1ccc(OCCNC(=O)Cc2ccc(C)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.018182943
46316,COOc1ccc(OCCN2CCN(c3ccc(C(C)=O)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5458244
46317,COc1cc2c(cc1NCCc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59520835
46318,COc1cc2c(cc1O)CCN1Cc3c(cccc3NC#Cc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5344659
46319,COc1cc2c(cc1OC(=O)OCc1ccccc1)C1Cc3cccc(C(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4068651
46320,COc1cc2c(cc1Sc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6884301
46321,COc1ccc(C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.62029505
46322,COc1ccc(COCc2cc3c(cc2OC)CCN2Cc4c(C)cccc4CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5858709
46323,COc1ccc(OCCCCn2ccc(C=O)c2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09608501
46324,COc1ccc(OCCNC(=O)COc2ccc(CF)cc2)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.018450215
46325,COc1ccc(OCCNCc2ccc(OC3CCNC3)cc2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.17626248
46326,COc1ccc(OCCNS(=O)(=O)c2cc(C(C)C)ccc2F)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.047203597
46327,COc1ccc(OCCS(N)(=O)=O)cc1C(O)Cc1ccc(C2CCCCN2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.13573752
46328,COc1cccc(C2CCN(Oc3ccc(OCCN=S(C)(=O)O)cc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18744852
46329,COc1cccc2c1CN1CCc3cc(C(=O)NOCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.431412
46330,COc1ccccc1-c1cc(C(=O)NCCN2CCN(C)CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.28717628
46331,COc1ccccc1-c1cc(C(=O)NCCN2CCN(O[N+](=O)[O-])CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.28964245
46332,COc1ccccc1N1CCN(CCN2CCC(Nc3cc4ccccc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.90886754
46333,COc1ccccc1N1CCN(CCN2CCC(Oc3ccc4ccnc(O)c4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8136746
46334,COc1ccccc1N1CCN(CCN2CCC(n3c(O)nc4ccc(F)cc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84015715
46335,Cc1cc(OCCF)ccc1OCN1CCN(C(=O)c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.08827279
46336,Cc1cc(OCCN=S(C)(=O)O)ccc1OC(=O)COc1ccc2c(c1)CCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.08893607
46337,Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73125845
46338,Cc1ccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2O)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.16362028
46339,Cc1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63649577
46340,Cc1cccc2c1CN1CCc3cc(O)c(OCc4cccnc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52404946
46341,O=C(Nc1cccc(Cl)c1Cl)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3611693
46342,O=[N+]([O-])c1ccccc1N1CCN(CCN2CCC(COc3cnc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.53029656
46343,Oc1cc2c(cc1C=NOc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6755257
46344,Oc1cc2c(cc1Cc1ccccc1)CCN1Cc3c(Cc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7370985
46345,CCCOc1ccc(OCNS(C)(=O)=O)c(CCOc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12148194
46346,CCCOc1ccc(OF)c(CN2CCN(c3cccc(C(C)=O)c3)C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18326935
46347,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCCN(c3ccc(C(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15512206
46348,CNc1cccc(CC(=O)NCCOc2ccc(OS(N)(=O)=O)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.009521534
46349,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3ccc(C#N)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69085777
46350,COCCOc1ccc(OC)c(CN2CCN(c3ccc(OCCF)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7649871
46351,COOc1ccc(OCCF)cc1CCCN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.875721
46352,COc1c(Cl)cccc1-c1ccc(C(=O)NCCN2CCN(OC)CC2)cc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3602414
46353,COc1cc2c(cc1-c1ccccc1F)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72688437
46354,COc1cc2c(cc1CCNOCc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67674005
46355,COc1cc2c(cc1Cc1ccc[nH]1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.85240287
46356,COc1cc2c(cc1O)C1Cc3cccc(CN(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79588175
46357,COc1cc2c(cc1O)C1Cc3cccc(OCc4cccc(OC(F)(F)F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6709503
46358,COc1ccc(-c2cn(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)cn2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7898928
46359,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1cccc(C)c1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.22250357
46360,COc1ccc(OCCN2CCC(OCc3ccc(F)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.64702815
46361,COc1ccc(OCCN2CCC(S(C)(=O)=O)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.55718523
46362,COc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1CN1CCN(c2cccc(Cl)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31068292
46363,COc1ccc(OCCNC(C)=O)cc1N1C(=O)CCc2cc(CC3CCC3)ccc21,[*]CCOc1ccc(O[*])c([*])c1,0.093886554
46364,COc1ccc(OCCS(C)(=O)=O)cc1C=CCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.0821873
46365,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Cc2ccc(OC3CCCC(=O)N3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3337786
46366,COc1ccc(OCCS(N)(=O)=O)cc1N1CCC(c2ccc(CC(C)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.14311342
46367,COc1ccc(OCCSC)cc1N1CCN(c2cccc(F)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3630704
46368,COc1ccc(Sc2cccc(CN3CCN(CCCCl)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6277711
46369,COc1ccc2c(c1)CCCC2(C)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69318634
46370,COc1cccc(CC2CCN(CCOc3ccc(ONS(C)(=O)=O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.647283
46371,COc1cccc(CN2CCN(CCCC3CC(c4ccccc4)=N3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6250081
46372,COc1cccc2c1CN1CCc3cc(-c4ccccc4N(C)C)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.710151
46373,COc1ccccc1N1CCN(CCN2CCC(CNc3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8514142
46374,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(-c4ncccn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87347966
46375,COc1ccccc1N1CCN(CCN2CCC(S(=O)(=O)c3cc(F)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82476544
46376,COc1ccccc1N1CCN(CCN2CCC(c3cc4nc(O)oc4cc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7375815
46377,COc1ccccc1N1CCN(CCN2CCC(c3cnc4ccc(Cl)cn34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7389992
46378,Cc1cc(OCCF)ccc1ON1CCN(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.56481445
46379,Cc1cc(OCCF)ccc1OOC1CCN(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.55332416
46380,Cc1cc(OCCNC(=O)COc2ccc3c(c2)C=CCCC3)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.04132053
46381,Cc1cccc(CN2CCN(CCCC(=O)c3cccs3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5194254
46382,ClC1CCN(CCN2CCN(c3ccccc3-c3cc4ccccc4[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7994261
46383,Clc1cc2c(cc1-c1ccccc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6826679
46384,FCCCN1CCN(Cc2cccc(C3CCCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7647271
46385,O=S(=O)(c1cccnc1)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6341014
46386,Oc1cc2c(cc1-c1ccc3c(O)cccc3c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70556235
46387,Oc1cc2c(cc1Cl)CCN1Cc3c(CCOc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6991922
46388,Oc1cn(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c(O)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72653973
46389,CC(C)c1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7724516
46390,CCCOc1ccc(OCC(C)Nc2ccc(F)cc2)c(C(=O)NCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.018316012
46391,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(Cc3ccc4c(c3)NCC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3623356
46392,CCCOc1ccc(ONC(=O)COc2ccc(C)cc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.012254736
46393,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCCC(CCc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23506838
46394,CCCOc1ccc(OOC)c(CC2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.43176976
46395,CCCOc1ccc(OS(=O)(=O)N(C)C)c(N2CCCC(CCc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23746331
46396,CCCOc1ccc(OS(N)(=O)=O)c(CCCc2cccc(N3CCc4ccccc4C3=O)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23713394
46397,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(Cc3ccc4c(c3)C(=O)CCC(=O)N4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32287005
46398,CCN(C)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8061542
46399,CCOCCc1cc(OCCOC)ccc1OCCOc1ccccc1C,[*]CCOc1ccc(O[*])c([*])c1,0.10006296
46400,CCOc1cccc(Cc2cc3c(cc2OC)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6473539
46401,CCc1ccccc1C1CCN(CCOc2ccc(OC)c(C(C)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6004216
46402,CN(C)Cc1cccc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75127685
46403,COCCCN1CCN(Cc2cccc(C3NC(=O)Cc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6540262
46404,COCCCN1CCN(Cc2cccc(N3CC(C)(C)Cc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.591647
46405,COCCOc1ccc(OC)c(N2CCC=CC=CC3=CN(CC2)CC3=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26431578
46406,COCCOc1ccc(OCF)c(CN2CCCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.75491816
46407,COOc1ccc(OCCCN2CCN(c3ccccc3OC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.875049
46408,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccc(C(F)(F)F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.705933
46409,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cnc4cccc(N(C)C)c4c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6219519
46410,COc1cc2c(cc1O)CCN1Cc3c(cccc3N3CCCCC3=O)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47967008
46411,COc1cc2c(cc1OC(C)C)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69503355
46412,COc1ccc(OCCCC2CCCCN2c2ccccc2OC)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.39645913
46413,COc1ccc(OCCCS(=O)(=O)c2ccc(C(C)=O)s2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.069376856
46414,COc1ccc(OCCN=S(C)(=O)O)cc1C1CCCC(Cc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2771377
46415,COc1ccc(OCCN=S(C)(=O)O)cc1CN1CCC(Cc2ccc3c(c2)NC(=O)CCC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.40615165
46416,COc1ccc(OCCOC(C)=O)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6242698
46417,COc1ccccc1-c1cc(C(=O)NCCN2CCN(OC(C)C)CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31247512
46418,COc1ccccc1N1CCN(CCN2CCC(NCc3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.832205
46419,COc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74873614
46420,COc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccncc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81340307
46421,CSOc1ccc(OCCNCCc2cccc3ccccc23)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.23316607
46422,CSc1ccc(CC(=O)NCCOc2ccc(ONS(C)(=O)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.012821587
46423,Cc1cc(OCCN2CCC(Cc3ccc(F)cc3)CC2)ccc1OS(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.4814454
46424,Cc1cc(OCCN2CCCC2=O)ccc1ONCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.12997928
46425,Cc1ccccc1N1CCN(CCN2CCC(Cc3ccc4ccc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6122608
46426,Cc1ccccc1N1CCN(CCN2CCC(N3C(=O)c4ccccc4C3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6707323
46427,N#Cc1ccccc1N1CCN(CCN2CCC(c3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.888923
46428,O=C(c1cccc(CN2CCN(CCCCl)CC2)c1)C1CCc2ccccc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.50346226
46429,Oc1cccc2c1CN1CCc3cc(-c4cccc5ccccc45)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6268082
46430,Oc1cccc2c1CN1CCc3cc(C=Nc4cccc(OC(F)(F)F)c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.555251
46431,C=S(=O)(O)CCOc1ccc(OC)c(N2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26638132
46432,CC1c2ccccc2C(=O)N1Cc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56980824
46433,CCCCc1ccccc1NCCOc1ccc(ON)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0490156
46434,CCCOc1ccc(F)cc1-c1cc(OCCS(N)(=O)=O)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.11366378
46435,CCCOc1ccc(OCN2CCC(Cc3ccccc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5306088
46436,CCCOc1ccc(ON2CCC(C(F)(F)F)CC2)c(NC(=O)OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1188044
46437,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(Oc3ccc4c(c3)NC(=O)CCC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.51384306
46438,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(c3ccc(OC(C)C)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2855481
46439,CCc1ccccc1N1CCN(CCN2CCC(c3cnccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76590085
46440,CNC(=O)CCOc1ccc(OC)c(N2CCC(Oc3ccc4c(c3)NC(=O)CCC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2593321
46441,COC(=O)NCc1ccccc1-c1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46398968
46442,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccc(F)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69042075
46443,COc1c(C(=O)Nc2ccccc2N2CCN(CCN3CCC(C)CC3)CC2)ccc2ccccc12,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4035299
46444,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1cc2cccc(OC)c2o1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.22744049
46445,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1CCO[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27379748
46446,COc1cc(C(=O)NCCN2CCN([N+](=O)[O-])CC2)ccc1-c1ccccn1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.25615883
46447,COc1cc2c(cc1-c1ccc(C)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67235637
46448,COc1cc2c(cc1C(C)O)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7558682
46449,COc1cc2c(cc1O)CCN1Cc3c(COCc4cccc5ccccc45)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7454964
46450,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(C(N)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47221056
46451,COc1ccc(OCCCN2CCN(c3ccc(F)cc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.9426343
46452,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.622046
46453,COc1ccc(OCCN2CCC(NC(=O)Cc3ccccc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.27423608
46454,COc1ccc(OCCS(N)(=O)=O)cc1NCCc1ccc2c(c1)CC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.14505914
46455,COc1cccc(Nc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45661095
46456,COc1cccc2c1CN1CCc3cc(C)c(OCc4ccc5ccccc5c4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6194805
46457,COc1ccccc1-c1cc2c(cc1OC)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62802863
46458,COc1ccccc1CN1CCN(CCCOc2ccc(OC=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5488439
46459,CS(=O)(=O)Oc1ccc(OCCN2CCCCC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.3059102
46460,Cc1cc(OCCN2C=C3NC(=O)CCC3=CC=C3CCCC(CC2)O3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.35384208
46461,Cc1cc(OCCN2CC(=O)C(c3ccc(F)cc3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.24940583
46462,Cc1cc(OCCN2CCC(=O)CC2)ccc1ONS(=O)(=O)c1ccc(Cl)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.3986234
46463,Cc1cc(OCCN2CCC(COc3ccc4c(c3)NC(=O)CC4)CC2)ccc1OS(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.51350427
46464,Cc1cc(OCCN2CCC(Oc3ccccc3C3CCCC3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6077695
46465,Cc1cc(OCCNC=O)ccc1ON1CCN(Cc2ccc(S(C)(=O)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1823058
46466,Cc1cc(OCCNS(=O)(=O)c2cccc(C(C)C)c2)ccc1ONC1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3800929
46467,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(Oc2ccc(C3CCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20894007
46468,Cc1cc2c(cc1O)C1Cc3cccc(Oc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61408824
46469,Cc1cc2c(cc1O)CCN1Cc3c(cccc3OC(C)C)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62371314
46470,ClC1CCN(CCN2CCN(c3ccccc3OCC=Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7927496
46471,FC(F)(F)c1cccc(CN2CCN(CCCC3Cc4ccccc4C3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7280716
46472,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)c1ccc(F)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67173856
46473,O=C(OCc1ccccc1)C1CCN(CCN2CCN(c3ccccc3OC(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7095778
46474,Oc1ccc2ccc(Oc3ccccc3N3CCN(CCN4CCC(OCCF)CC4)CC3)cc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8011269
46475,C#Cc1cccc(Cc2cc3c(cc2OC)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7243321
46476,C=[SH](O)=Cc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5941873
46477,CC1(C)Cc2ccccc2N1c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72541356
46478,CC1Cc2ccccc2N1C(=O)c1cccc(CN2CCN(CCCO)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7040123
46479,CCCCOc1ccc(ON)c(N2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3282103
46480,CCCOc1ccc(OC(=O)NS(C)(=O)=O)c(CCCc2ccc3c(c2)CCC(=O)C3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11537734
46481,CCCOc1ccc(OC(C)=O)c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1372197
46482,CCCOc1ccc(ON2CCC(CC(=O)c3ccc(F)cc3)CC2)c(NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29200894
46483,CCCOc1ccc(OS(N)(=O)=O)c(Nc2ccccc2OCC(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08470852
46484,CCCOc1ccc(OSC)c(CCNC(=O)c2ccccc2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.027735949
46485,CCOc1ccccc1N1CCN(CCN2CCC(n3cc4ccccc4c3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8033745
46486,CCOc1ccccc1N1CCN(Cc2cc(OCCNC)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.82946867
46487,CCc1ccccc1C1CCN(Oc2ccc(OCCOS(C)(=O)=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25269583
46488,COC(=O)Nc1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36163405
46489,COC(=O)c1ccccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1N,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.34671152
46490,COC1CCN(CCN2CCN(c3ccccc3-c3cccc(-c4cccs4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8464197
46491,COCCOc1ccc(OC)c(CNC(=O)c2ccccc2OCCF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03386876
46492,COc1cc2c(cc1O)CCN1Cc3c(cccc3S(=O)(=O)c3ccc(C)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.37730417
46493,COc1cc2c(cc1OC(C)(C)C)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8191901
46494,COc1cc2c(cc1OC)C1Cc3cccc(OC(C)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53095853
46495,COc1ccc(C(C)c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66720426
46496,COc1ccc(N(C)c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80722046
46497,COc1ccc(OCCC(C)COc2ccc(F)cc2)cc1CN1CCC(C(=O)O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4307374
46498,COc1ccc(OCCCCCc2ccccc2)cc1NS(=O)(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.11319334
46499,COc1ccc(OCCF)cc1CNCCc1cccc(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10251845
46500,COc1ccc(OCCN2CCC(c3ccccn3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6834853
46501,COc1ccc(OCCN2CCCC(c3ccccc3)C2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.63454676
46502,COc1ccc(OCCNC(C)=O)cc1N1CCC(Cc2noc3cc(F)ccc23)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24367645
46503,COc1ccc(OCCS(N)(=O)=O)cc1CCCc1ccc(C)cn1,[*]CCOc1ccc(O[*])c([*])c1,0.07497349
46504,COc1cccc2c1CN1CCc3cc(-c4c[nH]c(CO)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8011209
46505,COc1cccc2c1CN1CCc3cc(O)c(OCc4ccc5ccccc5c4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6236063
46506,COc1ccccc1C(=O)NCCOc1ccc(OCN2CCN(c3ccccc3OC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6495523
46507,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3csc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7873376
46508,Cc1cc(OCCC(O)CCc2ccc3c(c2)NC(=O)CC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.13847686
46509,Cc1cc(OCCCN=S(C)(=O)O)ccc1ONCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.061822567
46510,Cc1cc(OCCN2CCN(Cc3cccc(S(C)(=O)=O)c3)CC2)ccc1OSO,[*]CCOc1ccc(O[*])c([*])c1,0.343664
46511,Cc1cc(OCCN=S(C)(=O)O)ccc1OC=Cc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.05048757
46512,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)CCCC3)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.025534378
46513,Cc1ccc(C(=O)NCCN2CCN([N+](=O)[O-])CC2)cc1-c1ccccc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.24861823
46514,Cc1cccc([N+](=O)c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62369835
46515,Fc1ccc(-c2ccnc(C3CCN(CCN4CCN(c5ccccc5Cl)CC4)CC3)n2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75823355
46516,NS(=O)(=O)Oc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64507824
46517,CCCOc1ccc(OC=[SH]O)c(NC(=O)Cc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.00642835
46518,CCCOc1ccc(ON)c(CCCc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24711944
46519,CCCOc1ccc(ONC(c2ccc(F)cc2)C2CCCNC2)c(C(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13563736
46520,CCCOc1ccc(ONS(C)(=O)=O)c(NCCCc2cccc3c2CCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1589713
46521,CCCOc1ccc(OOC)c(C2CCN(C(C)=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13774502
46522,CCCOc1ccc(OOC)c(N2CCC(NC(C)c3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2024864
46523,CCCOc1ccc(OOCC)c(N2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35732365
46524,CCCOc1ccc(OS(C)(=O)=O)c(CCSc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07255283
46525,CCSc1ccccc1C1CCN(CCOc2ccc(OC)c(S(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5190064
46526,CN1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(-c3ccccc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.28493935
46527,COC1CCN(CCN2CCN(c3ccccc3CNc3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7650191
46528,COC1CCN(CCN2CCN(c3ccccc3Cn3cc(F)cnc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7288905
46529,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccc4c(c3)CCCC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.45194072
46530,COCCCN1CCN(Cc2cccc(NC(=O)C3c4ccccc4-c4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.30572847
46531,COCCOc1ccc(OC)c(-c2ccc(C)cc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09312373
46532,COCCOc1ccc(OC)c(CCN2CCCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8009531
46533,COOc1ccc(OCCN2CCC(Nc3cccc(C(C)=O)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.23180231
46534,COc1c(C(=O)Nc2cccc(CN3CCN(CCCF)CC3)c2)ccc2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.34929267
46535,COc1cc(C(=O)NCCN2CCN(c3cccc(C)c3OC)CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.7342923
46536,COc1cc2c(cc1C)CCN1Cc3c(cccc3-c3cc([N+](=O)[O-])ccc3C)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43882048
46537,COc1cc2c(cc1O)C1Cc3cccc(C=NOCc4cccc(C)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67557067
46538,COc1cc2c(cc1OC)C1Cc3cccc(C=[N+](C)c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64223427
46539,COc1cc2c(cc1OCc1ccc(CO)cc1)CCN1Cc3c(cccc3OC(C)=O)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4847121
46540,COc1ccc(C2CCN(Oc3ccc(OCCNS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.24727398
46541,COc1ccc(CNCc2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6415929
46542,COc1ccc(CNOc2ccc(OCCOS(C)(=O)=O)cc2C)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.054364245
46543,COc1ccc(CO)cc1-c1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67025006
46544,COc1ccc(OCCC=O)cc1CN1CCN(c2cc(F)ccc2F)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.61352247
46545,COc1ccc(OCCN2CCC(Oc3ccc(CC4CCCCC4)cc3)CC2)cc1C(=O)NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3848488
46546,COc1ccc(OCCS(=O)(=O)C(F)(F)F)cc1CNCC1CCc2ccc(SC)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.33192316
46547,COc1ccc(OCCc2cccc(OCC(F)(F)F)c2)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.04464913
46548,COc1cccc2c1CN1CCc3cc(C(=O)C(C)C)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53992563
46549,COc1ccccc1NC(=O)Nc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.37281892
46550,Cc1cc(OCCCCSc2ccc(F)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.071875595
46551,Cc1cc(OCCF)ccc1ONC(C)c1ccccc1[SH](=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07686231
46552,Cc1cccc(CN2CCN(CCCCc3cccc(=O)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66618574
46553,Cc1cccc2c1CN1CCc3cc(-c4ccc(CO)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6330765
46554,Cc1cccc2c1CN1CCc3cc(-c4cccc(Oc5ccccc5)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52887726
46555,Cc1ccccc1N1CCN(CCN2CCC(Nc3cnccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6773962
46556,O=C(Nc1cccc(Br)c1)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32815427
46557,O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72896045
46558,O=S1(=O)Cc2ccccc2N1CCc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7605622
46559,O=[N+]([O-])c1ccccc1-c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46653232
46560,CCCOc1ccc(ON=S(C)(=O)O)c(NCCc2ccc(F)c(F)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.051053807
46561,CCCOc1ccc(ONS(C)(=O)=O)c(NC(=O)Cc2ccc3c(c2)CCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.055604383
46562,CCCOc1ccc(OOS(C)(=O)=O)c(C(C)COc2ccc(CC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06461115
46563,CCCOc1ccc(OS(N)(=O)=O)c(N2CCCC(c3cc(C)ccc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15371014
46564,CCCc1ccccc1OC1CCN(CCOc2ccc(ONS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6508612
46565,CCN(C)C(=O)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5065683
46566,CCNC(=O)c1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6223078
46567,CCNC(=O)c1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56475323
46568,CCOc1cccc2c1CN1CCc3cc(OC)c(Cc4cccc(C#N)c4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48662356
46569,CCc1cc(CC2CCN(CCOc3ccc(OOS(C)(=O)=O)c(C)c3)CC2)ccc1OC1CCNC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.53112644
46570,CCc1ccc(F)cc1C1CCN(c2cc(OCCS(C)(=O)=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.34479272
46571,CN=S(=O)(O)CCOc1ccc(ON2CCCC(Cc3ccc(F)cc3)C2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15892905
46572,CNOc1ccc(OCCNS(=O)(=O)Cc2ccc(SC)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.065533765
46573,COCCOc1ccc(Oc2ccc(F)cc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10982818
46574,COc1cc2c(cc1OCc1ccc(CO)cc1)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6477233
46575,COc1ccc(C(=O)NCCN2CCN(c3ccc(Cl)cc3)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.70181763
46576,COc1ccc(Cl)cc1S(=O)(=O)c1cc(OCCF)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.067165695
46577,COc1ccc(OCCC2CCCN(C(=O)c3cccc(C)c3)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.06750299
46578,COc1ccc(OCCF)cc1-c1ccc(C(C)C)c(S(=O)(=O)NC2CCCCN2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15453288
46579,COc1ccc(OCCNCS(=O)(=O)c2ccc(F)c(F)c2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08995959
46580,COc1ccc(OCCc2ccccc2)cc1S(=O)(=O)C1CCCN1,[*]CCOc1ccc(O[*])c([*])c1,0.16963618
46581,COc1cccc(CN2CCN(CCCC3Nc4ccccc4CC3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6457527
46582,COc1cccc(CN2CCN(CCCN3CCC(C)(C)CC3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61200875
46583,COc1cccc2c1CN1CCc3cc(-c4cccc5cc[nH]c45)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7451589
46584,COc1cccc2c1CN1CCc3cc(C=NO)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66984034
46585,COc1ccccc1-c1cccc(CN2CCN(CCCOCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64363074
46586,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8431616
46587,CS(=O)(=O)c1ccccc1N1CCN(CCN2CCC(c3ccc(O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7267059
46588,CSc1ccc(CCCCN2CCN(Cc3cccc(Cl)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7328381
46589,CSc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.71841323
46590,Cc1c[nH]c(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.632845
46591,Cc1cc(OCCN2CCC(NS(=O)(=O)c3cc(F)ccc3F)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6640107
46592,Cc1cc(OCCN2CCN(Cc3ccc(F)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.38858345
46593,Cc1cc(OCCN=S(C)(=O)O)ccc1OCCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.19534558
46594,Cc1cc(OCCNC=O)ccc1ONCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.13253652
46595,Cc1ccccc1N1CCN(CCN2CCC(n3ccc(=O)c(F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67524093
46596,Cc1cnn(CCc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.62544554
46597,Fc1ccc(-c2cccc(C3CCN(CCN4CCN(c5ccccc5Cl)CC4)CC3)c2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8492829
46598,O=C(NCc1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1)c1cccc2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.41667515
46599,O=CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6684341
46600,Oc1cc2c(cc1C=Nc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66200763
46601,Oc1cc2c(cc1F)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71664727
46602,Oc1cc2ccccc2n1Cc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6576486
46603,CC(=O)NOc1ccc(OCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.7331991
46604,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccccc4)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.86081827
46605,CC1Cc2ccccc2N1C(=O)c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6714617
46606,CCCOc1ccc(OC)c(S(N)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08230732
46607,CCCOc1ccc(OCN)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10752883
46608,CCCOc1ccc(OCS(C)(=O)=O)c(NCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11347074
46609,CCCOc1ccc(OSC)c(C2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27256188
46610,CCOCCCN1CCN(Cc2cccc(-c3cccs3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5439194
46611,CCOc1cccc(CN2CCN(CCCc3cc4ccccc4s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5703775
46612,CCOc1ccccc1OCCCOc1ccc(ON2CCN(c3ccccc3OC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2595359
46613,CNOCc1ccc(Cc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6239602
46614,COC(=O)OCc1ccc(Cc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4401077
46615,COC1CCN(CCN2CCN(c3ccccc3CNS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67919165
46616,COC1CCN(CCN2CCN(c3ccccc3COc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71776575
46617,COC1CCN(CCN2CCN(c3ccccc3NS(=O)(=O)c3cncc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.57226187
46618,COCCOc1ccc(OC)c(CN2CCCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7638795
46619,COc1cc2c(cc1O)C1Cc3cccc(COCc4ccc(Oc5ccccc5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.716168
46620,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cccc(Oc4ccccc4)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50250256
46621,COc1cc2c(cc1O)CCN1Cc3c(cccc3C3CCC(=O)CC3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5312345
46622,COc1cc2c(cc1OCc1ccncc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67860216
46623,COc1ccc(OCCC(CCc2ccc3c(c2)NC(=O)CC3)OC)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.17290142
46624,COc1ccc(OCCC=N)cc1CC(=O)Nc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.015834123
46625,COc1ccc(OCCCCNC(=O)c2cccc(C)c2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.026484476
46626,COc1ccc(OCCNC(C)=O)cc1N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.16070026
46627,COc1ccc(OCCOCc2ccccc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08759666
46628,COc1ccc(OCCS(C)(=O)=O)cc1CCCc1ccc2c(c1)CCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.21613565
46629,COc1ccc(OCCSCCCc2ccc3c(c2)NC(=O)CC3)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.22734581
46630,COc1ccc2c(c1)NC(Cc1cc(OCCS(C)(=O)=O)ccc1OC)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.36181778
46631,COc1ccc2cc(C(=O)NCC3CCN(CCN4CCN(c5ccccc5OC)CC4)CC3)ccc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7815211
46632,COc1cccc2c1CN1CCc3cc(CO)c(Oc4ccccc4CO)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72936624
46633,COc1ccccc1-c1ccccc1N1CCN(CCN2CCC(C#N)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83401597
46634,COc1ccccc1N1CCN(CCN2CCC(Cc3ccncc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8583847
46635,COc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3ccnc(F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.839962
46636,COc1ccccc1N1CCN(CCN2CCC(n3cccnc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.86593103
46637,Cc1cc(OCCN(C)C)ccc1OC=Cc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.21058142
46638,Cc1cc(OCCN2CCC(NC(=O)c3ccc(Cl)cc3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.46533093
46639,Cc1cc(OCCNC(=O)c2ccccc2C2CCCN2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.07450146
46640,Cc1cc(OCCS(C)(=O)=O)ccc1OC1NCCCC1Oc1ccc(CC2CCCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.16250113
46641,ClCCCN1CCN(Cc2cccc(-n3ccc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70157105
46642,FC(F)(F)OCCCN1CCN(Cc2cccc(CNc3ccco3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.45128846
46643,FC(F)(F)c1cccc(CN2CCN(CCCCc3ccc4ccccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7495353
46644,O=C(CCCN1CCN(Cc2cccc(Oc3ccccc3)c2)CC1)N1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.38152465
46645,O=C(NCCCCN1CCN(Cc2cccc(F)c2)CC1)c1cc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66397893
46646,O=C1CC2(CCCC2)CS(=O)(=O)N1CCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66150445
46647,O=C1Cc2ccccc2N1c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7776328
46648,CC1CCN(CCN2CCN(c3ccccc3-c3ccc4nc(O)ccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7525853
46649,CCC=Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65269303
46650,CCCOc1ccc(OF)c(CN2CCN(C(O)c3ccc(C(C)=O)cc3)CC2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12247695
46651,CCCOc1ccc(ON2CCC(c3ccc(F)cn3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39150584
46652,CCCOc1ccc(ON2CCN(C(C)=O)CC2)c(CC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08807443
46653,CCCOc1ccc(ON=S(C)(=O)O)c(C2C(=O)CCc3ccc(CC4CCC4)cc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25418377
46654,CCCOc1ccc(OS(C)(=O)=O)c(CCOc2ccc(C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07294883
46655,CCCOc1ccc(OS(C)(=O)=O)c(CN2CCC(c3ccc(OCC(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5497904
46656,CCCOc1ccc2c(c1)CC(CNc1cc(OCCC)ccc1OS(C)(=O)=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.43588734
46657,CCCc1ccc(OC2CCN(c3cc(OCCN=S(C)(=O)O)ccc3OC)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.21080092
46658,CCOc1ccccc1CN1CCN(CCOc2ccc(OOS)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5443314
46659,CNOc1ccc(OCCN2CCN(c3cc(F)ccc3F)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.587179
46660,CNc1cccc(C(=O)NC2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6180078
46661,COC1=CC=C[N+](c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)CC(=O)C=C1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6103554
46662,COC1CCN(CCN2CCN(c3ccccc3-c3cccc(OC(F)(F)F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7582388
46663,COC1CCN(CCN2CCN(c3ccccc3-n3ccc(-c4cccnc4)c3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7647082
46664,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3cc4ccccc4n3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5928346
46665,COCCCN1CCN(Cc2cccc(NC(=O)C3CCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.41219646
46666,COOc1ccc(OCCCCF)cc1N1CCC(c2ccccc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25862885
46667,COc1cc(C(=O)NCCN2CCN(O)CC2)ccc1-c1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.34815437
46668,COc1cc2c(cc1O)C1Cc3cccc(F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8895323
46669,COc1ccc(OCCC(C)=O)cc1NCC=Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.025831709
46670,COc1ccc(OCCCN2CCC(Cc3ccc(F)cc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.6825806
46671,COc1ccc(OCCN2CCC(Cc3ccc4ccccc4n3)CC2)cc1[SH](C)(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.54504085
46672,COc1ccc(OCCN=S(C)(=O)O)cc1SCCCc1ccc2c(c1)CC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.1999529
46673,COc1ccc(OCCNCc2ccccc2)cc1CS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.31307408
46674,COc1ccc2ccc(Cc3cccc4c3CN3CCc5cc(OC)c(OC)cc5C3C4)cc2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62953115
46675,COc1cccc(CN2CCN(CCCC(=O)c3ccccc3OC)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53266907
46676,COc1cccc2c1CN1CCc3cc([N+](=O)c4cccc(C#N)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.638427
46677,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(C)CC2)cc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.38626632
46678,COc1ccccc1COc1cc2c(cc1OC)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6800364
46679,COc1ccccc1N1CCN(CCN2CCC(c3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8776445
46680,COc1ccccc1N1CCN(CCN2CCC(n3cnc(-c4ccc(Cl)cc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.86216766
46681,COc1ccccc1NC(=O)NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4736795
46682,Cc1cc(OCCN=S(C)(=O)O)ccc1OC=CCc1ccccc1OC1CCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.10020682
46683,Cc1cc(OCCNCCc2ccccc2)ccc1ON(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.17971423
46684,Cc1cc(OCCOS(C)(=O)=O)ccc1ONC(=O)Cc1ccc(C=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.018376334
46685,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)NCc3cccc(F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7187162
46686,O=C(C=Cc1ccccc1)NCc1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6247245
46687,O=c1oc(CCCN2CCN(Cc3cccc(Cl)c3)CC2)cc2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6668822
46688,Oc1cc2c(cc1Cc1ccc(O)c3ccccc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71842736
46689,Oc1nc2c(-c3cccc(CN4CCN(CCCCl)CC4)c3)cccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.71496373
46690,CCC(C)c1ccc(CCOc2ccc(OC)c(CN3CCN(c4ccccc4OC)CC3)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.59945405
46691,CCCOc1ccc(OCCN2CCN(c3ccc(Cl)cc3)CC2)c(CF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.80382526
46692,CCCOc1ccc(ON=S(C)(=O)O)c(CCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06252331
46693,CCCOc1ccc(ONS(C)(=O)=O)c(NS(=O)(=O)c2ccccc2OCC(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.086016595
46694,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCCC(CCc3ccc4c(c3)NC(=O)CC4)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3151895
46695,CCCOc1ccc(O[N+](=O)[O-])c(CN2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.58800584
46696,CCOCc1cc2c(cc1OC)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7285596
46697,COCCCN1CCN(Cc2cccc(NC(=O)c3ccc(C)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.23735277
46698,COCCOc1ccc(OCCNC(=O)c2ccccc2C)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.023486812
46699,COOc1ccc(OCCCN2CC=C(c3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6243622
46700,COOc1ccc(OCCNC(=O)Cc2cccs2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.013236938
46701,COc1cc(C(=O)NCCN2CCN(O)CC2)ccc1-c1ccccn1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32844046
46702,COc1cc2c(cc1-c1c(C)cccc1OC)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5882182
46703,COc1cc2c(cc1O)C1Cc3cccc(Cc4cccc(N(C)C)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7646585
46704,COc1cc2c(cc1O)C1Cc3cccc(Oc4cc5ccccc5cc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8157901
46705,COc1cc2c(cc1OCc1ccncc1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6028755
46706,COc1ccc(C(=O)NCCN2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.51337725
46707,COc1ccc(CNCCOc2ccc(OSC)c(C)c2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.10959438
46708,COc1ccc(Cl)c(NC(=O)C2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.60104907
46709,COc1ccc(OCCCN=S(C)(=O)O)cc1N1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1891886
46710,COc1ccc(OCCF)cc1CN1CCN(CC(=O)N2c3ccccc3CC2C)C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.28601062
46711,COc1ccc(OCCN=S(C)(=O)O)cc1NC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.30975497
46712,COc1ccc(OCCS(C)(=O)=O)cc1NCCC1Cc2ccccc2CC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.21624815
46713,COc1cccc(CN2CCN(CCCN3C=CC(=O)CC3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5836012
46714,COc1cccc(CN2CCN(CCCn3c(O)nc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54025644
46715,COc1ccccc1N1CCN(CCN2CCC(CNC3(c4ccccc4)CCCCC3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7811063
46716,COc1ccccc1N1CCN(CCN2CCC(n3c(O)cc4ccc(O)cc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8664016
46717,COc1ccccc1N1CCN(CCNC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.8518236
46718,COc1ccccc1OC1CCN(CCN2CCN(c3ccccc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.721729
46719,CSOc1ccc(OCCN2CCC(c3ccc(CS(C)(=O)=O)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.63338095
46720,Cc1cc(OCCCCCc2ccc3c(c2)CC(=O)CC3)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.20500861
46721,Cc1cc(OCCN2CCC(Cc3ccc4ccccc4c3)NC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.3794427
46722,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)CCOC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.045896042
46723,Cc1cc(OCCNCCc2ccc3c(c2)CCC(=O)N3)ccc1ON(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.134718
46724,Cc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30278885
46725,ClCCCN1CCN(Cc2cccc(CNc3nccc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56337416
46726,Clc1ccccc1N1CCN(CCN2CCC(Nc3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7851593
46727,O=C(c1cccc(CN2CCN(CCCOC(F)(F)F)CC2)c1)c1ccccc1O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54204875
46728,O=C1c2ccccc2N(c2cccc(CN3CCN(CCCCl)CC3)c2)S1(=O)=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60369337
46729,O=[N+](O)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57406324
46730,O=c1[nH]c2ccccc2n1-c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6844167
46731,Oc1cc2c(cc1-c1ccc3[nH]ccc3c1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61158746
46732,CCCCN1CCN(Cc2cccc(O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5792257
46733,CCCOc1ccc(OC)c(CNC(=O)C2CCCN(Cc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2466768
46734,CCCOc1ccc(OOC)c(N2CCC(C(F)(F)F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37824658
46735,CCCOc1ccc(OOC)c(N2CCC(Cc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36649424
46736,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(Cc3ccc(OC4CCC(=O)NC4)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21023072
46737,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(CC(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28323334
46738,CCc1ccccc1C1CCN(CCOc2ccc(OC)c(OS(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7132003
46739,CNOc1ccc(OCCN2CCN(c3ccccc3OC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.7604229
46740,COC(=O)Nc1cccc(-c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36588395
46741,COC1CCN(CCN2CCN(c3ccccc3CCc3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74485546
46742,COCCCN1CCN(Cc2cccc(NC(=O)c3ccc(-c4ccccc4)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.32222468
46743,COOc1ccc(OCCCCF)cc1N1CCCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.212843
46744,COc1cc2c(cc1NC(=O)OCc1ccc(C#N)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3076298
46745,COc1cc2c(cc1O)C1Cc3cccc(-c4c(C)cccc4C=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5166946
46746,COc1cc2c(cc1O)C1Cc3cccc(CNc4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5439277
46747,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)OCc4ccc([N+](=O)O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4669089
46748,COc1cc2c(cc1OCc1cccc(C)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7305177
46749,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(cccc3OC(C)=O)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48249626
46750,COc1ccc(OCCCC(=O)c2ccc(SC)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.037790187
46751,COc1ccc(OCCCF)cc1CNC(=O)c1ccccc1C,[*]CCOc1ccc(O[*])c([*])c1,0.029342616
46752,COc1ccc(OCCCl)cc1CN1CCN(C(F)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.43465233
46753,COc1ccc(OCCF)cc1CNCC(=O)N1CCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.07415724
46754,COc1ccc(OCCN2CCC(NC(=O)c3ccc(F)c(F)c3)C2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.48183757
46755,COc1ccc(OCCN2CCC(c3ccc(Cl)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6736628
46756,COc1ccc(OCCN2CC[SH](=O)(c3ccccc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.52202994
46757,COc1ccc(OCCNS(=O)(=O)c2cc(F)ccc2OC)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09181377
46758,COc1ccc(OCCNS(C)(=O)=O)cc1COc1ccccc1C(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.090056516
46759,COc1ccc(OCCNS(C)(=O)=O)cc1NC(=O)COc1ccc2c(c1)CCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.052638847
46760,COc1cccc(CN2CCN(CCCC(=O)c3cccc4ccccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49626493
46761,COc1cccc(CN2CCN(CCCCc3cccc(C(N)=O)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57699275
46762,COc1cccc2c1CN1CCc3cc(O)c(COCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6393511
46763,COc1ccccc1N1CCN(CCN2CCC(c3cnc(O)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80087966
46764,COc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccc4F)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85233766
46765,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(CCc2ccc3c(c2)CCC(=O)N3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24558961
46766,Cc1cc2c(cc1O)C1Cc3cccc(Oc4cccc(CO)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54594094
46767,Cc1cccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2C)n1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26758975
46768,Fc1ccc(-c2ccc(Oc3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)cc2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.86567074
46769,O=C1c2ccccc2C(=O)N1CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6831792
46770,O=S(=O)(NC1CCN(CCN2CCN(c3ccccc3OC(F)(F)F)CC2)CC1)c1cc(F)ccc1F,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8387632
46771,O=c1ccccn1CCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.622996
46772,O=c1nc(-c2cccc(CN3CCN(CCCF)CC3)c2)sc2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.621683
46773,ON=COc1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57511556
46774,ON=Cc1cc2c(cc1Cl)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6631034
46775,Oc1cc2c(cc1-c1cccc(Br)c1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6484858
46776,Oc1cc2c(cc1Cc1cccs1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6850751
46777,CCCOc1ccc(OCF)c(C(=O)Nc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.015485606
46778,CCCOc1ccc(OCF)c(NC(=O)Nc2ccccc2OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0100228675
46779,CCCOc1ccc(OCN2CCN(c3ccccc3OCC)CC2)c(-c2cc(OC)co2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6779751
46780,CCCOc1ccc(ONS(C)(=O)=O)c(NCC2CCc3ccc(OCC(F)(F)F)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40786535
46781,CCCOc1ccc(OOC)c(N2CCN(C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.48716554
46782,CCOC(C)CCOc1ccc(OC)c(CN2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6346066
46783,CCOc1ccccc1N1CCN(CCN2CCC(c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8488589
46784,COC(=O)N1c2ccccc2CC1Cc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.50972617
46785,COC1CCN(CCN2CCN(c3ccccc3-n3cc(C(F)(F)F)ccc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6325134
46786,COCC1CCCc2ccc(CC3CCC(O)C3)cc2N1c1cc(OCCS(C)(=O)=O)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.26316696
46787,COCCCN1CCN(Cc2cccc(COC(=O)c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.38268167
46788,COCCOc1ccc(ON2CCC(c3ccccc3OC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37200177
46789,COc1cc2c(cc1C(=O)NCc1cccc(C(F)(F)F)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52546424
46790,COc1cc2c(cc1C)CCN1Cc3c(cccc3S(C)(=O)=O)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60304457
46791,COc1cc2c(cc1O)C1Cc3cccc(-c4[nH]cc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67428625
46792,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccccc4C#N)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7452452
46793,COc1cc2c(cc1OC)C1Cc3cccc(N4CCCC4OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57009494
46794,COc1cc2c(cc1OC)C1Cc3cccc(OCc4cccc([N+](=O)[O-])c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4533889
46795,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(Cc4ccc(CO)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5671114
46796,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(C#N)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8046365
46797,COc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31378925
46798,COc1ccc(OCCF)cc1CN1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5836651
46799,COc1ccc(OCCN=S(C)(=O)O)cc1OC1CCN(Cc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4765256
46800,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1N1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.060502324
46801,COc1ccc(OCCNc2ccccc2OCCF)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.04684965
46802,COc1ccc(OCCS(C)(=O)=O)cc1NC(=O)CCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.06663803
46803,COc1ccc(OCCS(N)(=O)=O)cc1N1CCN(c2ccccc2OCC(C)C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29814786
46804,COc1ccc(OCCSCCc2ccc(F)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07953066
46805,COc1ccc2ccc(OC3CCN(CCN4CCN(c5ccccc5OC)CC4)CC3)nc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78850746
46806,COc1cccc2c1CN1CCc3cc(C)c(Br)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72253865
46807,COc1cccc2c1CN1CCc3cc(C)c(OCc4ccc(C)cc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59451264
46808,COc1ccccc1-c1cc(C(=O)NCCN2CCN(OC(C)=O)CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35789716
46809,CSOc1ccc(OCCCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.7075661
46810,CSOc1ccc(OCCOC(=O)CCc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.07575604
46811,Cc1cc(OCCC(=O)C2CCCCN2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.04860484
46812,Cc1cc(OCCCN2CCC(Cc3ccccc3)CC2)ccc1OS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.55422664
46813,Cc1cc(OCCNCc2ccc(S(C)(=O)=O)cc2)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.113891624
46814,Cc1ccc(C(=O)NCCN2CCN(N)CC2)cc1-c1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32310256
46815,ClCCCN1CCN(Cc2cccc(-c3cccs3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68089974
46816,O=C(Cc1cccc(CN2CCN(CCCCl)CC2)c1)N1Cc2ccccc2C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53113264
46817,O=C(O)CNc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4745429
46818,O=C(c1cccc(CN2CCN(CCCCl)CC2)c1)N1CCC1c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59270984
46819,O=C(c1cccc(CN2CCN(CCCCl)CC2)c1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6453626
46820,O=S1(=O)CCc2ccccc2N1CCCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7356257
46821,CCCCOc1ccc(OOC)c(CCNc2ccccn2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09285361
46822,CCCOc1ccc(OC(=O)OC)c(N2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16319007
46823,CCCOc1ccc(OC)c(N2CCN(c3ccccc3OC(C)C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.42468157
46824,CCCOc1ccc(OS(C)(=O)=O)c(-c2ccc(C3CCN(CCC)CC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.63342613
46825,CCCOc1ccc(OS(N)(=O)=O)c(CC2CC(=O)c3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16795726
46826,CCOc1ccccc1N1CCCN(c2cc(OCCOC)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3088954
46827,CCc1ccc(OC2CCN(CCOc3ccc(OSC)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.5373368
46828,COCCCN1CCN(Cc2cccc(NS(=O)c3ccc(F)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4407667
46829,COOc1ccc(OCCCC(=O)Cc2ccc3c(c2)CCCC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.108780466
46830,COOc1ccc(OCCCN2CCC(c3ccccn3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.773679
46831,COc1cc2c(cc1O)CCN1Cc3c(CNC(=O)c4cc5ccccc5[nH]4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4902383
46832,COc1cc2c(cc1O)CCN1Cc3c(cccc3Oc3cccc(CO)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69188386
46833,COc1cc2c(cc1OC)C1Cc3cccc(CNC(=O)c4ccc5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45944887
46834,COc1cc2c(cc1OC)C1Cc3cccc(OCc4cccc(C)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71009654
46835,COc1cc2c(cc1OCc1ccc(N(C)C)cc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70383483
46836,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1cccc(O)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3323441
46837,COc1ccc(CN(C)c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.80382776
46838,COc1ccc(OCCC(C)=O)cc1NC1CCN(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4177858
46839,COc1ccc(OCCCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6690107
46840,COc1ccc(OCCCNC2CCc3ccccc32)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.3460497
46841,COc1ccc(OCCF)cc1CN1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.077537425
46842,COc1ccc(OCCNCc2cc(Cl)cs2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13242586
46843,COc1ccc(OCCNS(C)(=O)=O)cc1C1CCC(Oc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28331074
46844,COc1cccc(OC)c1-c1cccc2c1CN1CCc3cc(O)c(CO)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55529493
46845,COc1cccc2oc(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)cc12,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7110517
46846,COc1ccccc1N1CCN(c2cc(OCCNC(=O)Cc3ccccc3)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21198647
46847,Cc1cc(OCCC2CCN(CCc3ccc(F)cc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5614736
46848,Cc1cc(OCCCN2CCC(Cc3ccccc3)CC2)ccc1OF,[*]CCOc1ccc(O[*])c([*])c1,0.5999618
46849,Cc1cc(OCCCN2CCC(Oc3ccccc3)CC2)ccc1OF,[*]CCOc1ccc(O[*])c([*])c1,0.6470833
46850,Cc1cc(OCCF)ccc1ON1CCC(Oc2ccccc2C=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3115016
46851,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)ccc1ONS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.52227926
46852,Cc1cc(OCCN2CCCC(Cc3ccc4ccccc4c3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.37151143
46853,Cc1cc(OCCNCCc2ccccc2)ccc1ONS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.11992897
46854,Cc1cc(OCCNS(=O)(=O)c2ccc(F)c(F)c2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.031950947
46855,Cc1cc(OCCNS(=O)(=O)c2ccc(F)cc2)ccc1OCS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.04957189
46856,ClCCCN1CCN(Cc2cccc(CNc3ccccn3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5921691
46857,Clc1cccc(CN2CCN(CCCc3nc(-c4ccccc4)cs3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5682186
46858,Fc1ccc(-c2cccc(CN3CCN(CCCCl)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7260073
46859,NS(=O)(=O)Oc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72368824
46860,O=C(c1cccc(CN2CCN(CCCF)CC2)c1)N1CCC1c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61152166
46861,O=c1oc(-c2cccc(CN3CCN(CCCF)CC3)c2)cc2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6668212
46862,Oc1ccccc1Cc1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57155526
46863,Oc1ccccc1N1CCN(CCN2CCC(Nc3cccnc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5684768
46864,Oc1nc2cccc(-c3cccc(CN4CCN(CCCF)CC4)c3)c2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60113406
46865,On1c(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)nc2ccccc21,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64568585
46866,CC(=O)Nc1cccc(CC(=O)NCCOc2ccc(ONS(C)(=O)=O)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0068491306
46867,CC1CCN(CCN2CCN(c3ccccc3NS(=O)(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.47481224
46868,CCC(OC)c1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7402901
46869,CCCOc1ccc(OC(=O)[O-])c(N2CCC(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22638765
46870,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(c3cc(C)ccc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13434821
46871,CCCOc1ccc(ON=S(C)(=O)O)c(NC(=O)COc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08387304
46872,CCCOc1ccc(ONS(C)(=O)=O)c(CCOc2cc3c(cc2F)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16436777
46873,CCCOc1ccc(OOC)c(CNCC2CCc3cc(OC)c(OC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.47721666
46874,CCCOc1ccc(OOC)c(N2CCCC(NC(=O)c3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16620588
46875,CCCOc1ccc(OOC)c(N2CCN(Cc3ccccc3S(C)(=O)=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6807169
46876,CNCCOc1ccc(OC)c(N2CCC(CC(=O)c3ccc(F)s3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22952385
46877,COC1CCN(CCN2CCN(c3ccccc3C3=Nc4ccccc4Cc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69706005
46878,COC1CCN(CCN2CCN(c3ccccc3OCc3ccc4c(c3)NC(=O)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8523922
46879,COCCCN1CCN(Cc2cccc(C3(C)CCCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7037625
46880,COCCCN1CCN(Cc2cccc(CN3C(=O)c4ccccc4C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.52062064
46881,COCCOc1ccc(ONC2CCN(c3ccc(Cl)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2529136
46882,COOc1ccc(OCCNS(=O)(=O)c2ccccc2F)cc1C1CCCN(C)C1,[*]CCOc1ccc(O[*])c([*])c1,0.37753257
46883,COc1cc2c(cc1O)C1Cc3cccc(C=NOc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75585437
46884,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60370034
46885,COc1cc2c(cc1O)CCN1Cc3c(cccc3OC(=O)NCc3cccc(C#N)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38382903
46886,COc1cc2c(cc1OC)C1Cc3cccc(-c4cccc(COC(C)=O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46185428
46887,COc1cc2c(cc1OC)C1Cc3cccc(-c4cccc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6886594
46888,COc1ccc(C2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7366328
46889,COc1ccc(CNc2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60707617
46890,COc1ccc(Cc2cc3c(cc2OO)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67692393
46891,COc1ccc(OCCN2CCCC(c3ccccc3)C2)cc1NC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.24780537
46892,COc1ccc(OCCNC(=O)Cc2ccc3c(c2)CCN(C)C3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.17625138
46893,COc1ccc(OCCNS(=O)(=O)c2ccccc2CC(C)C)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10564774
46894,COc1ccc(OCCS(C)(=O)=O)cc1C(=O)CCn1c2ccc(OC3CCCC3)ccc-2cc1=O,[*]CCOc1ccc(O[*])c([*])c1,0.07306164
46895,COc1ccc(OCCS(C)(=O)=O)cc1CNC(=O)Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.017898979
46896,COc1ccc(OCCS(C)(=O)=O)cc1Oc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.0784063
46897,COc1cccc(CN2CCN(CCCCN3C(=O)COc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69140255
46898,COc1ccccc1CNc1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4687699
46899,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cc(F)ccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.86376834
46900,COc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccc(F)cc4)ccc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81901586
46901,CSCCOc1ccc(ONCCCc2ccccc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1060443
46902,CSc1ccc(C2(O)CCCN(COc3ccc(OCCF)cc3C)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.43365303
46903,Cc1cc(OCCN2CCC(Oc3ccc(C4CCCCC4)cc3)CC2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.54223657
46904,Cc1cc(OCCN2CCN(c3cc(C(C)C)ccc3S(C)(=O)=O)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.545644
46905,Cc1cc(OCCNC(=O)c2ccc(F)cc2)ccc1ON1CCC(OS(N)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.09002243
46906,Cc1cc(OCCNCCc2cccc3c2CCC(=O)C3)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.21263987
46907,Nc1cc(-c2ccccc2)cc(C2CCN(CCN3CCN(c4ccccc4O)CC3)CC2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64392
46908,O=C(CCCCCN1CCN(Cc2cccc(Cl)c2)CC1)N1CCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6255356
46909,C#CCc1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7995204
46910,C=CC1C(=O)c2ccccc2N1c1cccc(CN2CCN(CCCOC)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5804635
46911,CC=[SH](O)(O)C=Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70131165
46912,CCCOc1ccc(OC(=O)Cc2ccccn2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05842468
46913,CCCOc1ccc(OC(C)N=S(C)(=O)O)c(NCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05202766
46914,CCCOc1ccc(OC)c(CNS(=O)(=O)c2ccccc2C(N)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04197727
46915,CCCOc1ccc(OCS(C)(=O)=O)c(CCCc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25819403
46916,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC(c3ccc(C(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18385756
46917,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30338153
46918,CCOCC(=O)NCCOc1ccc(OC)c(S(N)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.027484402
46919,CNS(=O)(=O)Oc1ccc(OCCNC(=O)CCc2ccc3c(c2)N(C)C(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.073061354
46920,COC1CCN(CCN2CCN(c3ccccc3C(=O)C3CCC3c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6347414
46921,COCCOc1ccc(OC)c(CC2CCc3cc(F)ccc3C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21184112
46922,COCCOc1ccc(ONC(=O)Cc2ccc3c(c2)NC(=O)CC3)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07352146
46923,COOc1ccc(OCCN2CCCC(CCc3ccc(F)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.48246273
46924,COc1cc2c(cc1O)CCN1Cc3c(C=COCc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7906822
46925,COc1ccc(OCCC=O)cc1N1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.34197387
46926,COc1ccc(OCCCCN2CCC(c3ccccc3C3CCCC3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6830929
46927,COc1ccc(OCCCO)cc1N1CCN(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27847394
46928,COc1ccc(OCCF)cc1NC(=O)c1ccc(CN2CCCCC2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.065495685
46929,COc1ccc(OCCN2CCCC(Cc3ccc(OC4CCCCN4)cc3)C2)cc1S(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.37496337
46930,COc1ccc(OCCN2CCCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6367042
46931,COc1ccc(OCCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1C=[SH](=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.69592696
46932,COc1ccc(OCCNC(=O)Cc2ccc3c(c2)CCCC3)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.042512916
46933,COc1ccc(OCCNC(=O)Cc2ccc3c(c2)NC(=O)CC3)cc1NC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.058493152
46934,COc1ccc(OCCNC(=O)c2ccc(SC)cc2)cc1CN(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.039438546
46935,COc1ccc(OCCS(C)(=O)=O)cc1NC(=O)Cc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.064803146
46936,COc1ccc(OCCSC)cc1-c1ccccc1OCC(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.17846966
46937,COc1cccc2c1CN1CCc3cc(C#N)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68564516
46938,COc1cccc2c1CN1CCc3cc(CN(C)C)c(Oc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7194629
46939,COc1ccccc1N1CCN(CCN2CCC(COc3ccc(-c4ccccn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85888755
46940,COc1ccccc1N1CCN(CCN2CCC(c3cccc(Cc4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.86993635
46941,COc1ccccc1N1CCN(CCN2CCC(c3nc(F)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81890225
46942,COc1ccccc1N1CCN(CCN2CCC(n3c(O)nc4cc(C(N)=O)ccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7139743
46943,Cc1cc(OCCCCCc2ccc3c(c2)CC(=O)CC3)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16957074
46944,Cc1cc(OCCNC2CCC(Cc3ccc(F)cc3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.24237669
46945,Cc1cc(OCCNCc2ccc(F)cc2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.17179523
46946,Cc1cc(OCCNCc2ccccc2)ccc1OCS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.2582846
46947,FCCc1cccc(CN2CCN(CCCCc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.76031697
46948,N#Cc1ccccc1C1CCN(CCN2CCN(c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6562014
46949,O=C(NCC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)c1ccccn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78356326
46950,O=C(c1ccn(Cc2cccc(CN3CCN(CCCCl)CC3)c2)c1)N1CCOCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.24167356
46951,Oc1cc2c(cc1O)C1Cc3cccc(OC4CCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.776585
46952,CC(=O)c1ccc(CNC2CCCN(CCOc3ccc(OS(N)(=O)=O)c(C)c3)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.2585811
46953,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccccc4)ncn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73566616
46954,CC1CCN(CCN2CCN(c3ccccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70079607
46955,CCCCN1CCN(Cc2cccc(-c3cc4ccc3CCc3ccccc3CC4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6348348
46956,CCCOc1ccc(OC=O)c(N2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33159587
46957,CCCOc1ccc(ONC(C)=O)c(CCOc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.035419825
46958,CCCOc1ccc(OOC)c(NCC2CCc3ccc(F)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.44858786
46959,CCCOc1ccc(OS(C)(=O)=O)c(CCCc2ccc(OC3CCCCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17269927
46960,CCOc1ccc(CNCc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6292735
46961,CNS(=O)(=O)Oc1ccc(OCCN2CCC(Cc3ccccc3O)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.39238563
46962,COC1CCN(CCN2CCN(c3ccccc3-c3ccnc(-c4ccc(Cl)cc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79337424
46963,COC1CCN(CCN2CCN(c3ccccc3-c3nc4ccc(F)cc4nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6706207
46964,COCCOc1ccc(ON2CCC(Nc3ccccc3OC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25116
46965,COCc1cccc2c1CN1CCc3cc(OCc4ccc(OC)cc4)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76540726
46966,COc1cc2c(cc1O)C1Cc3cccc(CS(C)(=O)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7748202
46967,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(CN[N+](=O)C(C)=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44325152
46968,COc1ccc(C(=O)NCCN2CCN(O)CC2)cc1-c1ccccc1C#N,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.375748
46969,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1cccc(C)c1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.20488437
46970,COc1ccc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)cc1OC(C)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.9077848
46971,COc1ccc(C(O)c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66649264
46972,COc1ccc(Cc2cc(OCCS(C)(=O)=O)ccc2OC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07759626
46973,COc1ccc(OCCC(=O)N(C)C)cc1N1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23743011
46974,COc1ccc(OCCC(N)=O)cc1NCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.021431856
46975,COc1ccc(OCCN2CCC(Oc3ccc(CC(F)(F)F)cc3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.59888804
46976,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1NC(=O)C1CCCN1,[*]CCOc1ccc(O[*])c([*])c1,0.06167328
46977,COc1ccc(OCCNC(=O)c2cccc(C)c2)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6541654
46978,COc1cccc(CN2CCN(CCCN3C(=O)N(c4ccccc4)C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5861258
46979,COc1cccc2c1CN1CCc3cc(Cc4cccc5c(OC)cccc45)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6997407
46980,COc1cccc2c1CN1CCc3cc(Cc4cccc5cc[nH]c45)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8075345
46981,CS(=O)(=O)NOc1ccc(OCCF)cc1CNC(=O)Cc1ccc(Cl)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.019104237
46982,Cc1cc(OCCCOc2ccccc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.09553952
46983,Cc1cc(OCCNC(=O)COc2ccccc2)ccc1ONCC1CCN1,[*]CCOc1ccc(O[*])c([*])c1,0.04085268
46984,Cc1cc(OCCNC(=O)c2ccc(F)cc2)ccc1ON1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.05469616
46985,Cc1cc(OCCNC2CCC(Cc3ccc(OC4CCNCC4)c(C)c3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.19168288
46986,Cc1cc(OCCNCC2CC(=O)c3ccccc3C2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.1668482
46987,Cc1cc(OCCNCc2ccc(C(C)C)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1224501
46988,Cc1cccc(CN2CCN(CCCS(=O)(=O)c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53543603
46989,Clc1cccc(CN2CCN(CCCC3=C(c4ccccc4)CCC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6326287
46990,N#Cc1ccccc1N1CCN(CCN2CCC(n3cc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.86581993
46991,O=C(NCc1cccc(CN2CCN(CCCCl)CC2)c1)c1ccco1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.440498
46992,O=C1CC1(c1ccccc1)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63275015
46993,O=c1cc(-c2ccccc2)cc(Cc2cccc(CN3CCN(CCCCl)CC3)c2)o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6385
46994,CC(=O)OCCOc1ccc(ON2CCC(Cc3ccccc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11834945
46995,CC(C)OCCCN1CCN(Cc2cccc(CNC(=O)c3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.43622547
46996,CC=S(=O)(O)Nc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5418495
46997,CCCOc1ccc(OC)c(CN2CC(C)Cc3ccccc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4271558
46998,CCCOc1ccc(OCNS(C)(=O)=O)c(N2CCCC(c3ccccc3C)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17633316
46999,CCCOc1ccc(ON2CCCN(c3ccccc3OC)CC2)c(OS(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2735532
47000,CCCOc1ccc(ON2CCN(C(C)=O)CC2)c(CCc2ccc3c(c2)NC(F)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20522866
47001,CCCOc1ccc(ON2CCN(c3ccccc3OCC(F)(F)F)CC2)c(NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3785767
47002,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(C(=O)c3ccc(F)c(F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16190861
47003,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(c3ccccc3OCC)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31457695
47004,CCCOc1ccc(OS(C)(=O)=O)c(NS(=O)(=O)Cc2ccc(OCC(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05967216
47005,CCOC(=O)Oc1ccc(OCCF)cc1CN1CCN(c2ccccc2OCC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6011686
47006,CCOc1cccc(CCOc2ccc(OOC)c(C)c2)c1OC,[*]CCOc1ccc(O[*])c([*])c1,0.10824626
47007,CCOc1ccccc1C1CCN(c2cc(OCCC(C)=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20361632
47008,CCOc1ccccc1N1CCC(c2cc(OCCOC)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.33794302
47009,COC1CCN(CCN2CCN(c3ccccc3-c3cc(-c4cccs4)ncn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75152576
47010,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7211754
47011,COc1cc2c(cc1C(=O)N(C)Cc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54412526
47012,COc1cc2c(cc1O)C1Cc3cccc(Cc4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.637413
47013,COc1cc2c(cc1O)C1Cc3cccc(OC(=O)c4ccc(OC)c5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42550772
47014,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccco4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75140816
47015,COc1cc2c(cc1O)CCN1Cc3c(CNc4ccccc4OC)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.493071
47016,COc1cc2c(cc1OC(C)=O)CCN1Cc3c(Cc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49558392
47017,COc1ccc(OCCN2CCC(Oc3ccc(CC4CCCC(C)=N4)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.39780393
47018,COc1ccc(OCCc2cc(C3CCN(Cc4ccc(F)cc4)CC3)no2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.54412264
47019,COc1cccc(C(C)NCCOc2ccc(OC)c(S(N)(=O)=O)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08469033
47020,COc1cccc(CN2CCN(CCCCCOc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7096629
47021,COc1cccc2c1CN1CCc3cc(CCNC(=O)c4ccc(C#N)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47669387
47022,COc1ccccc1-c1cc(C(=O)NCCN2CCN(C)CC2)ccc1N=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.34514195
47023,COc1ccccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1SC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.36088502
47024,COc1ccccc1CC1CCN(CCOc2ccc(OC)c(SC)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.66183025
47025,CSOc1ccc(OCCNC2CCN(Cc3ccccc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5435511
47026,Cc1cc(OCCCl)ccc1ONCc1ccccn1,[*]CCOc1ccc(O[*])c([*])c1,0.13896184
47027,Cc1cc(OCCF)ccc1ONS(=O)(=O)c1cc(C(F)(F)F)ccc1C=O,[*]CCOc1ccc(O[*])c([*])c1,0.055995572
47028,Cc1cc(OCCF)ccc1ONS(=O)(=O)c1ccccc1C1CCCCN1,[*]CCOc1ccc(O[*])c([*])c1,0.1789825
47029,Cc1cc(OCCF)ccc1OS(=O)(=O)N(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.0808053
47030,Cc1cc(OCCN2CCCC2COc2ccc3c(c2)NC(=O)CC3)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.4315995
47031,Cc1cc(OCCS(N)(=O)=O)ccc1ONCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.090663366
47032,Cc1csc(CCCN2CCN(Cc3cccc(F)c3)CC2)n1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5342281
47033,O=C(c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1cccc2ccccc12,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79161066
47034,O=C1CS(=O)(=O)c2ccccc2N1c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6795018
47035,O=c1[nH]c2ccccc2nc1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5876487
47036,Oc1cc2c(cc1OOC(F)(F)F)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7122067
47037,Oc1cccc2c1CN1CCc3cc(F)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7122407
47038,CCCCN1CCN(Cc2cccc(NC(=O)c3cccs3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.23698406
47039,CCCOc1ccc(OF)c(OC(=O)NCC2CCc3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24273452
47040,CCCOc1ccc(ON2CCC(c3ccc(F)cc3)CC2)c(C(=O)OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.184338
47041,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(Oc3ccc4c(c3)NC(=O)CCC4)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4164747
47042,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(c3ccc(SC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29475287
47043,CCCOc1ccc(OOC)c(CCNC(=O)c2ccc(NC)cc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.015704194
47044,CCOc1ccccc1N1CCN(CCOc2ccc(OC)c(SC(C)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.70852655
47045,CCOc1ccccc1N1CCN(Cc2cc(OCCCN=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7204432
47046,CCc1cccc2c1CN1CCc3cc(Cc4ccc(OC)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71703726
47047,CCc1cccc2c1CN1CCc3cc(OC)c(C(=O)OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48714036
47048,CN=S(=O)(O)CCOc1ccc(OC)c(NCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.050723787
47049,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccc4c(c3)CCC(=O)N4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6611643
47050,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccc(-c4cccs4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.48484734
47051,COCCCN1CCN(Cc2cccc(-c3cccc4c3NCCC4(C)C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54984033
47052,CON=Cc1cc2c(cc1Cl)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69782275
47053,COOc1ccc(OCCF)cc1NCCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.1309032
47054,COOc1ccc(OCCN2CCC(C(=O)c3ccc(SC)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5057366
47055,COc1cc2c(cc1Cl)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67051554
47056,COc1cc2c(cc1O)C1Cc3cccc(C(=O)OCc4ccc(C(C)=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5786815
47057,COc1cc2c(cc1O)C1Cc3cccc(CCN)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.89501464
47058,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cc(CO)ccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64528173
47059,COc1cc2c(cc1OC)C1Cc3cccc(-c4cc(OC)c5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6469269
47060,COc1ccc(C=Cc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8273262
47061,COc1ccc(N2CCN(COc3ccc(OCCF)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.5463556
47062,COc1ccc(OCCCN2CCC(c3ccccc3)CC2)cc1OC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6553474
47063,COc1ccc(OCCF)cc1CN1CCN(C(=O)c2ccc(SC)cc2)C(CF)C1,[*]CCOc1ccc(O[*])c([*])c1,0.25175282
47064,COc1ccc(OCCF)cc1NS(=O)(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.043975804
47065,COc1ccc(OCCN)cc1N1CCN(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.36233535
47066,COc1ccc(OCCN2CCC(F)CC2)cc1S(=O)(=O)Nc1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.47211573
47067,COc1ccc(OCCN2CCC(c3ccccc3C)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.6262183
47068,COc1ccc(OCCNCC2CC2c2ccccc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.15463093
47069,COc1ccc(OCCS(C)(=O)=O)cc1C1CCCC(CCc2ccc3c(c2)NC(=O)CC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.3379486
47070,COc1cccc(CN2CCN(CCCc3csc4ccccc4c3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51918966
47071,COc1ccccc1N1CCN(CCN2CCC(C(=O)N3CCc4ccccc4C3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72246414
47072,COc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccccc4)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.891515
47073,CS(=O)(=O)c1ccccc1N1CCN(CCN2CCC(c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8320264
47074,Cc1cc(OCCCN2CCC(Cc3ccc4ccccc4c3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6123308
47075,Cc1cc(OCCN=S(C)(=O)O)ccc1ONCC1CCCN(C)C1,[*]CCOc1ccc(O[*])c([*])c1,0.18267785
47076,Cc1cccc(CN2CCN(CCCCOc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6539184
47077,ClC1CCN(CCN2CCN(c3ccccc3-c3cc4ccccn4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80304
47078,O=C(CCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61860263
47079,O=C(NCCN1CCN(Cl)CC1)c1ccc(Cl)c(-c2cccc(Cl)c2Cl)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.34081596
47080,O=[N+]([O-])c1ccccc1N1CCN(CCN2CCC(Nc3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.57385963
47081,Oc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(COC5CCCC5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63904136
47082,CC(=O)Oc1ccc(OCCN2CCC(Oc3ccc(C)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.3631994
47083,CC1(C)C(=O)N(c2cccc(CN3CCN(CCCC(F)(F)F)CC3)c2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5176066
47084,CCCC(O)c1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7577345
47085,CCCOc1ccc(OCN2CCC(Oc3ccccc3C)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4797739
47086,CCCOc1ccc(OF)c(CN2CCC(O)(c3ccc(CC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5410541
47087,CCCOc1ccc(ON=S(C)(=O)O)c(-c2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06049533
47088,CCCOc1ccc(ONS(C)(=O)=O)c(CCCc2ccc3c(c2)NC(=O)C(CC)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34485775
47089,CCCOc1ccc(OOC)c(N2CCC(c3cccc(NC(C)=O)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21891902
47090,CCCOc1ccc(OS(C)(=O)=O)c(CCCc2ccc(Cl)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0943119
47091,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)Cc2ccc(C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0054973983
47092,CCCOc1ccc(OS(N)(=O)=O)c(NCCc2cccc3ccccc23)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09700004
47093,CCOc1cccc2c1CN1CCc3cc(O)c(OCc4ccc(OC)cc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6837065
47094,CNC(=O)c1cc(OCCCS(=O)(=O)c2cccc(C(F)(F)F)c2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.046120323
47095,COC(=O)N(c1ccnc2ccccc12)C1CCN(CCN2CCN(c3ccccc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6558249
47096,COCCOc1ccc(OC)c(CN2CCC(C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5027523
47097,COOc1ccc(OCCN2CCC(CCc3cccc(SC)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6511188
47098,COOc1ccc(OCCNC(=O)Cc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.055784993
47099,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(O)c4ccccc34)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68588173
47100,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)Nc3cccc(C(F)(F)F)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36870652
47101,COc1cc2c(cc1OC)C1Cc3cccc(CNC(C)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49845427
47102,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc(C5CCCCC5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65204924
47103,COc1cc2c(cc1S(=O)(=O)c1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6758703
47104,COc1ccc(OCCCC(=O)c2ccc(F)cc2)cc1C(=O)[SH]=CN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.15209705
47105,COc1ccc(OCCF)cc1N1CCN(S(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19321868
47106,COc1ccc(OCCN2CCC(F)CC2)cc1NS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.42621237
47107,COc1ccc(OCCN=S(C)(=O)O)cc1-c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.056814633
47108,COc1ccc(OCCOC2CCCN(Cc3ccccc3)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.52782714
47109,COc1ccc2nc(O)nc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)c2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74615455
47110,COc1cccc(-c2cccc(CN3CCN(CCCc4ccccc4)CC3)c2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6205613
47111,COc1cccc(CN2CCN(CCCc3cccc(=O)n3-c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60054463
47112,COc1cccc2c1CN1CCc3cc(-c4ccc(N)c(Cl)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7321468
47113,COc1cccc2c1CN1CCc3cc(-c4cccc(ONC(C)=O)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41986197
47114,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(-c4cccnc4O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8124822
47115,CSOc1ccc(OCCN2CCC(Cc3ccccc3F)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5824656
47116,Cc1cc(OCCCCCc2ccc(F)cc2)ccc1OS(C)(=O)=NO,[*]CCOc1ccc(O[*])c([*])c1,0.082238235
47117,Cc1cc(OCCNC(=O)c2ccc(C(C)C)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.013223622
47118,Cc1cc(OCCNS(=O)(=O)c2ccc(F)cc2)ccc1ONCC1CCN(C)S1,[*]CCOc1ccc(O[*])c([*])c1,0.2885818
47119,ClC1CCN(CCN2CCN(c3ccccc3OCc3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8479571
47120,O=C1c2ccccc2N(CCCCN2CCN(Cc3cccc(F)c3)CC2)S1(=O)=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7052275
47121,O=Cc1cccc2c1CN1CCc3cc(O)c(-c4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6266396
47122,O=S(=O)(NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)c1ccc(F)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7939795
47123,O=S(=O)(Nc1cccc(CN2CCN(CCCOC(F)(F)F)CC2)c1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.45581478
47124,O=c1cc2cc(CCCN3CCN(Cc4cccc(Cl)c4)CC3)cccc-2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64660364
47125,Oc1[nH]c(-c2ccccc2)cc1-c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5932163
47126,CC(C)c1ccccc1N1CCN(CCN2CCC(c3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75577223
47127,CCCCc1ccccc1NCCOc1ccc(OSC)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08430315
47128,CCCOc1ccc(OCN2CCC(Oc3ccccc3)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.52043724
47129,CCCOc1ccc(ON2CCN(c3ccc(CC)cc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2708514
47130,CCCOc1ccc(OOC)c(NC(=O)c2ccc(CCC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.034485918
47131,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(c3cccc(CC)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33412218
47132,CCCOc1ccc(OSC)c(N2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.757613
47133,CCOc1ccccc1N1CCN(CCNC(=O)c2ccc(C)c(OC)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.75246215
47134,CCOc1ccccc1OCCCOc1ccc(OCNCC2CCc3ccccc3O2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39802596
47135,COC1CCN(CCN2CCN(c3ccccc3-c3nc(O)cc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7145282
47136,COC1CCN(CCN2CCN(c3ccccc3C=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79769707
47137,COCCCN1CCN(Cc2cccc(C3CC3C(=O)NCc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4458517
47138,CON1CCN(CCNC(=O)c2ccc(C=O)c(-c3ccccc3C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.42804545
47139,COc1cc2c(cc1Cc1c[nH]c3ccc(F)cc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.80040234
47140,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc([N+](C)=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65938437
47141,COc1cc2c(cc1O)C1Cc3cccc(Cc4cccc(Oc5ccccc5)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6378274
47142,COc1cc2c(cc1O)CCN1Cc3c(Cc4cccc5ccccc45)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7970341
47143,COc1cc2c(cc1OC)C1Cc3cccc(OC(=O)Cc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47795084
47144,COc1cc2c(cc1Oc1ccccc1CO)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71436775
47145,COc1ccc(OCCC(C)=O)cc1CF,[*]CCOc1ccc(O[*])c([*])c1,0.026704496
47146,COc1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1OS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.6346123
47147,COc1ccc(OCCN2CCC(c3ccc(SC)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6152836
47148,COc1ccccc1-c1ccc(C(=O)NCCN2CCN([N+](=O)[O-])CC2)cc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2876693
47149,COc1ccccc1N1CCN(CCCOc2ccc(OO)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.91448265
47150,COc1ccccc1N1CCN(CCN2CCC(c3cn4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.865313
47151,COc1ccccc1N1CCN(COc2ccc(OCCF)cc2COCCF)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.75390834
47152,CSOc1ccc(OCCN2CCC(c3ccc(OS(C)(=O)=O)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6166378
47153,CSc1ccc(C2(O)CCN(Oc3ccc(OCCF)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.30387485
47154,Cc1cc(OCCN2CC=C(C(=O)O)CC2)ccc1ONC(=O)Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.12338347
47155,Cc1cc(OCCN2CCC(NS(=O)(=O)c3cccc(Cl)c3)CC2)ccc1OC(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.54436296
47156,Cc1cc(OCCN2CCCC(CCc3ccc(F)cc3)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4317302
47157,Cc1cc(OCCN=S(C)(=O)O)ccc1OCCc1ccc(OC2CCCCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.12461066
47158,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCCC(Oc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.19213544
47159,Cc1cc(OCCNC(=O)COc2ccccc2)ccc1ON1CCC(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.056829292
47160,Cc1cc(OCCNC(=O)c2ccccc2C2CCNCC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.043548208
47161,Cc1cc(OCCNCc2cccs2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.13647005
47162,Cc1cccc(CN2CCN(CCCC(=O)c3ccc4ccccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5274443
47163,O=C(NCCCCN1CCN(Cc2cccc(Cl)c2)CC1)C1(c2ccccc2)CCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5937865
47164,O=C(NCc1cccc(CN2CCN(CCCF)CC2)c1)C1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5200242
47165,O=C(Nc1cccc2ccccc12)Oc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.30289736
47166,O=C1CCc2ccc(CCCN3CCN(Cc4cccc(Cl)c4)CC3)cc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7317153
47167,Oc1cccc(CN2CCN(CCCc3ccco3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58839273
47168,Oc1nc2ccccc2n1-c1ccccc1N1CCN(CCN2CCC(OCCF)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7302653
47169,CCCOC1CCc2ccc(CC(=O)NCCOc3ccc(OOC)c(C)c3)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.08592392
47170,CCCOc1ccc(OC(=O)NC)c(CC(C)Cc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.106380306
47171,CCCOc1ccc(ONS(C)(=O)=O)c(C(=O)Cc2ccc(OC3CCNCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.110977784
47172,CCCOc1ccc(OOC)c(CCOc2ccccc2CN2CCCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39238563
47173,CCCc1ccc(C2CCN(c3cc(OCCNS(C)(=O)=O)ccc3OC)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.35101613
47174,COC1CCN(CCN2CCN(c3ccccc3-c3nc(-c4ccccc4)cs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65369254
47175,COC1CCN(CCN2CCN(c3ccccc3COc3cccc4ncccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.785523
47176,COC1CCN(CCN2CCN(c3ccccc3S(=O)(=O)c3cncc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67248744
47177,COCCOc1ccc(OF)c(CN2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.63538015
47178,COc1cc(C(=O)NCCOc2ccc(ON3CCCCC3)c(C)c2)ccc1F,[*]CCOc1ccc(O[*])c([*])c1,0.04666886
47179,COc1cc2c(cc1O)C1Cc3cccc(CNC(=O)c4ccc5[nH]ccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4563666
47180,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccc(Oc5ccccc5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6297167
47181,COc1cc2c(cc1OC)C1Cc3cccc(C[SH](C)(=O)O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75998205
47182,COc1cc2c(cc1OC)C1Cc3cccc(S(C)(=O)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7443978
47183,COc1ccc(Cc2ccccc2N2CCN(CCN3CCC(C)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7687022
47184,COc1ccc(OCCC(C)=O)cc1C(F)Cc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.03746141
47185,COc1ccc(OCCCC(=O)c2cccs2)cc1OC1CCN(Cc2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.49529028
47186,COc1ccc(OCCCN2CCN(c3ccccc3OC)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.9672913
47187,COc1ccc(OCCF)cc1CN1CCC(C)C(c2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.6602433
47188,COc1ccc(OCCF)cc1CN1CCC(S(=O)(=O)c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.47763672
47189,COc1ccc(OCCN2CCC(Cc3ccc(F)cc3)CC2)cc1S(=O)(=O)N(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.5938617
47190,COc1ccc(OCCN2CCC(F)(Cc3ccc(F)cc3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.49135986
47191,COc1ccc(OCCN2CCC(Oc3ccc4ccccc4c3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5545454
47192,COc1ccc(OCCN2CCCC(O)(c3ccc(F)cc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.63782847
47193,COc1ccc(OCCN2CCCCC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.24569966
47194,COc1ccc(OCCN2CCN(c3cccc(F)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.7810047
47195,COc1ccc(OCCOC2CCNC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.21654849
47196,COc1ccc(OCCS(C)(=O)=O)cc1OC1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.18843731
47197,COc1cccc(CN2CCN(CCCCNS(=O)(=O)c3cccs3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58046305
47198,COc1cccc2c1CN1CCc3cc(NC(=O)c4ccc(Cl)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3411235
47199,COc1ccccc1N1CCN(CCN2CCC(c3ccc(N(C)C)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85288876
47200,Cc1cc(OCCC(C)Cc2ccccc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.054799706
47201,Cc1cc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)ccc1ON=S(=O)(O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5880218
47202,Cc1cc(OCCN2CCC(Cc3ccc(F)cc3F)CC2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.6736429
47203,Cc1cc(OCCNCc2ccc(Br)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.13866222
47204,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCCC(Cc2cccc3c2NC(=O)CCC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2619712
47205,Cc1cccc(CN2CCN(CCCC(=O)NC3CCCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.44393215
47206,FC(F)(F)c1cccc(CN2CCN(CCCCc3cc(-c4ccccc4)no3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7244499
47207,N#CC1CCN(CCN2CCN(c3ccccc3-n3cc4ccccc4c3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7547942
47208,N#Cc1cccc2c1CN1CCc3cc(O)c(CO)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6448648
47209,O=C1CCCN1c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4745402
47210,O=C1COc2ccccc2N1CCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.71938246
47211,OCCON=Cc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70478076
47212,Oc1cc2c(cc1Cl)CCN1Cc3c(cccc3C3CCCCC3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5491935
47213,Oc1cccc2c1CN1CCc3cc(Nc4ccc(Cl)cc4Cl)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61968106
47214,SOc1cccc(CN2CCN(CCCCc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.8251929
47215,CC(=N)COOc1ccc(OCCC=Cc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.05731599
47216,CC(=O)NC1CCc2ccc(S(=O)(=O)NCCOc3ccc(OS(C)(=O)=O)c(C)c3)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.16157937
47217,CC(=O)Nc1cccc(CCCN2CCN(Cc3cccc(F)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3069748
47218,CC(=O)Oc1ccc(OCCN2CCC(Cc3ccccc3N)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.4563702
47219,CCC=S(O)(O)=Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6676141
47220,CCCOc1ccc(OC(=O)NSC)c(NCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.039635945
47221,CCCOc1ccc(OC(=O)OC)c(NCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.037887856
47222,CCCOc1ccc(ON=S(C)(=O)O)c(NCCc2ccccc2OC2CCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11579772
47223,CCCOc1ccc(ONS(C)(=O)=O)c(OC2CCC(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18074207
47224,CCCOc1ccc(OSC)c(N2CCCN(c3cccc(C(F)(F)F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33247462
47225,CCOc1cc2c(cc1O)C1Cc3cccc(F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7576566
47226,CCOc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc4ccc(O)cc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6980371
47227,CNOc1ccc(OCCN2CCC(Cc3ccc(F)cc3)C(=O)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.41866788
47228,COC(=O)c1cc2c(cc1C)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42715734
47229,COC1CCN(CCN2CCN(c3ccccc3Cn3ccc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6909263
47230,COC1CCN(CCN2CCN(c3ccccc3Nc3cc(F)ccc3C(=O)O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.46882257
47231,COCCOc1ccc(ON2CCN(C(c3ccccc3)c3ccc(OC)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13854137
47232,COOc1ccc(OCCNC(=O)COc2cccc(C)c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.011057465
47233,COc1cc2c(cc1C=Nc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6465877
47234,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(C(C)=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5091765
47235,COc1cc2c(cc1OC)C1Cc3cccc(OC(=O)c4cc5ccccc5[nH]4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48203346
47236,COc1ccc(NCCc2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5473124
47237,COc1ccc(OCCCN2CCC(Cc3ccc4ccccc4n3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.53546125
47238,COc1ccc(OCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1CF,[*]CCOc1ccc(O[*])c([*])c1,0.88982826
47239,COc1ccc(OCCCS(C)(=O)=O)cc1C(C)Cc1ccc2c(c1)CCC(=O)N2,[*]CCOc1ccc(O[*])c([*])c1,0.2216478
47240,COc1ccc(OCCCc2ccc(OC3CCNCC3)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.20123225
47241,COc1ccc(OCCN)cc1CCNc1ccccn1,[*]CCOc1ccc(O[*])c([*])c1,0.099990495
47242,COc1ccc(OCCNS(=O)(=O)c2ccc(C(C)C)cc2)cc1C(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.0613271
47243,COc1ccc(OCCO)cc1N1CCC(CC(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2919505
47244,COc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1S(=O)(=O)N(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.10678666
47245,COc1ccc2c(-c3cc(C(=O)NCCN4CCN(C)CC4)ccc3C)ccnc2c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.19193874
47246,COc1cccc2c1CN1CCc3cc(OCCc4ccccc4)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72900563
47247,COc1ccccc1N1CCN(c2cc(OCCN=S(C)(=O)O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22079171
47248,CSOc1ccc(OCCN2CCNC(Cc3ccc(F)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.4867384
47249,CSOc1ccc(OCCNC2CCC(O)(c3ccc(Cl)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.19542953
47250,CSc1ccc2c(c1)CC(NCCOc1ccc(ONS(C)(=O)=O)c(C)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.45951235
47251,Cc1cc(OCCN2CC(Cc3ccc4ccccc4c3)CCS2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.14007315
47252,Cc1cc(OCCN2CCC(Cc3ccc4ccccc4c3)CC2)ccc1OOS(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5689272
47253,Cc1cc(OCCN2CCC(c3cccc(C=O)c3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.639284
47254,Fc1cccc(CN2CCN(CCCc3ccco3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56138813
47255,O=C(Nc1ccccc1)C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.59641176
47256,O=C(Nc1ccccc1)C1CCN(CCN2CCN(c3ccccc3OC(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6113987
47257,O=S(=O)(c1ccc(OC(F)F)cc1)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.58407086
47258,C#Cc1ccc(C(=O)Nc2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.47684544
47259,CC(C)Oc1cccc(CN2CCN(CCCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55797887
47260,CCCOc1ccc(OC(N)=O)c(COc2cc(NC(C)=O)ccc2F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.01797808
47261,CCCOc1ccc(ONC)c(N2CCN(CC(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33099505
47262,CCCOc1ccc(OOC)c(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.43344963
47263,CCCOc1ccc(OOC)c(NC(=O)c2ccc(Cl)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.036229763
47264,CCN(C)c1cc(OCCCS(=O)(=O)Cc2ccc(SC)cc2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.10583834
47265,CCc1cc(OCCN2CCC(c3ccccc3)CC2)ccc1OOC,[*]CCOc1ccc(O[*])c([*])c1,0.7494096
47266,CCc1ccccc1OC1CCCN(CCOc2ccc(OC)c(OS(C)(=O)=O)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.5261054
47267,CN(C)c1ccc(C(=O)NC2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7890895
47268,CNOc1ccc(OCCCN2CCC(Cc3ccc4ccccc4c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.578311
47269,COC(=O)NOc1ccc(OCCN2CCC(Oc3ccc(C)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.34385663
47270,COc1cc(C(=O)NCCN2CCN(C)CC2)ccc1S(C)(=O)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.23658504
47271,COc1cc2c(cc1O)C1Cc3cccc(-c4cccc([N+](C)=O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6428581
47272,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc([N+](=O)O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64623654
47273,COc1cc2c(cc1OC)C1Cc3cccc(CC(=O)NCc4cccc(C)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.30932987
47274,COc1ccc(OCCC(C)=O)cc1CC(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.03757333
47275,COc1ccc(OCCC(N)=O)cc1N1CCN(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1937836
47276,COc1ccc(OCCN2CCC(NS(=O)(=O)c3cccc(F)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.67197126
47277,COc1ccc(OCCN2CCCC(CCc3ccc(F)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.59673554
47278,COc1ccc(OCCN2CCCC(Cc3ccc(OC4CCCC4=O)cc3)C2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.336727
47279,COc1ccc(OCCNCCc2cccc3c2NC(=O)CC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2103836
47280,COc1ccc(OCCNCc2ccncc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.19655015
47281,COc1ccc(OCCNS(=O)(=O)c2ccc(F)cc2)cc1N1CCC(=O)N1,[*]CCOc1ccc(O[*])c([*])c1,0.1033019
47282,COc1ccc(OCCS(C)(=O)=O)cc1NC1CCN(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4250521
47283,COc1ccc(OCCS(C)(=O)=O)cc1NCCCC1CCC2CCC1C(=O)CCC2=O,[*]CCOc1ccc(O[*])c([*])c1,0.17873816
47284,COc1cccc(CN2CCN(CCCCn3ccc(C(N)=O)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5345459
47285,COc1ccccc1-c1cccc(CN2CCN(CCCOCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61065143
47286,COc1ccccc1N1CCN(CCN2CCC(c3cccc(N4CCNC4=O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7471824
47287,CS(=O)(=O)Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50489706
47288,Cc1cc(OCCC(F)Cc2ccccc2)ccc1ON1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.17809542
47289,Cc1cc(OCCC=O)ccc1ONCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.10338942
47290,Cc1cc(OCCCN2CCC(c3ccccc3C(F)(F)F)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.6585449
47291,Cc1cc(OCCN2CCCC(Cc3ccc4ccccc4c3)C2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.36155093
47292,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(c2ccc(CC3CCCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.14445543
47293,Cc1cc(OCCNCCc2ccc3c(c2)CC(=O)CC3)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1703827
47294,Cc1cc(OCCNS(=O)(=O)c2cc(F)ccc2F)ccc1OCN1CCNC1,[*]CCOc1ccc(O[*])c([*])c1,0.34493622
47295,Cc1cccc(CN2CCN(CCCC3Oc4cc(O)ccc4CC3(C)C)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56620234
47296,Cc1ccccc1N1CCN(CCN2CCC(Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6599679
47297,Cc1ccccc1OC1CCN(Oc2ccc(OCCOS(=O)(=O)C(F)(F)F)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25191775
47298,O=C(OCc1ccc(F)cc1)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50712055
47299,O=Cc1ccc(C2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.816746
47300,Oc1ccc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1O,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82022274
47301,CC(C)c1ccccc1N1CCN(CCN2CCC(n3c(O)cc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6351341
47302,CC=S(=O)(O)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70217395
47303,CCC(=O)Nc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.28574824
47304,CCCOc1ccc(ONS(C)(=O)=O)c(NCCc2cccc3c2CCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15862022
47305,CCCOc1ccc(OS(C)(=O)=O)c(C(C)COc2ccc3c(c2)CCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14668311
47306,CCOc1cc2c(cc1OC)C1Cc3cccc(C(=O)OCc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46067318
47307,CCOc1cc2c(cc1OC)CCN1Cc3c(cccc3-c3ccc(CO)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55173296
47308,CCOc1cccc(CN2CCN(CCCCc3cc4ccccc4s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6375633
47309,CCc1cc2c(cc1-c1cccc(OC)c1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6322517
47310,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccc4ccnn4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.38837606
47311,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3cccc(-c4ccco4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.46281788
47312,COCCCN1CCN(Cc2cccc(CN(C)S(=O)(=O)c3cccs3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.50235355
47313,COOc1ccc(OCCN2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.61867714
47314,COS(C)(=O)=NOc1ccc(OCCCOc2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.1145971
47315,COc1cc2c(cc1Cl)CCN1Cc3c(Cc4ccc(C#N)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6144194
47316,COc1cc2c(cc1N1CCCC(OCc3ccccc3)C1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48164716
47317,COc1cc2c(cc1O)CCN1Cc3c(CC(C)OCc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.761626
47318,COc1ccc(C#Cc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.82581395
47319,COc1ccc(C2CCN(COc3ccc(OCCNS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.42124835
47320,COc1ccc(OCCCCCc2ccc3c(c2)NC(=O)CCC3)cc1SSC,[*]CCOc1ccc(O[*])c([*])c1,0.26577175
47321,COc1ccc(OCCN)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.09406962
47322,COc1ccc(OCCN2C(CCc3ccc(F)cc3)CCS2(=O)=O)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.2395778
47323,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCCC(c2ccc(C(C)=O)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.13642146
47324,COc1ccc(OCCS(=O)(=O)CCF)cc1NC(=O)C1CCCCN1,[*]CCOc1ccc(O[*])c([*])c1,0.075153664
47325,COc1ccc(OCCS(C)(=O)=O)cc1N1CCN(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6092435
47326,COc1ccc(OCCSC=O)cc1NC(=O)Cc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.00937321
47327,COc1ccccc1CCCOc1ccc(ON2CCN(C)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.47523177
47328,COc1ccccc1CN1CCN(c2cc(OCCSC)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.80525583
47329,COc1ccccc1N1CCCN(COc2ccc(OCCCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.56175363
47330,COc1ccccc1N1CCN(CCN2CCC(c3ccc(O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8396003
47331,Cc1cc(OCCC(F)CCc2ccc3c(c2)NC(=O)CC3)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.13359345
47332,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCC(Oc2ccc(CC3CCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20917118
47333,Cc1ccc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1C,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7109187
47334,Cc1ccc(C(=O)C2CCN(CCc3cc(OCCF)ccc3ONS(C)(=O)=O)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.4437158
47335,Cc1cccc(S(=O)(=O)c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6385804
47336,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66978276
47337,ClC1CCN(CCN2CCN(c3ccccc3-n3cc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.842978
47338,Clc1cccc(CN2CCN(CCCCc3ncco3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7440641
47339,Nc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76329494
47340,O=C(NCc1cccc2ccccc12)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4571531
47341,O=C1CCc2ccccc2N1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7333111
47342,O=[N+]([O-])c1cccc(CN2CCN(CCCCc3cccc(-c4cccs4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54022044
47343,Oc1cc2ccccc2n1C1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70508146
47344,CC1CCN(c2cccc(CN3CCN(CCCCl)CC3)c2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6833674
47345,CCC(=O)Nc1cccc2c1CN1CCc3cc(Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.31698835
47346,CCCOc1ccc(OC)c(CNC(=O)c2c(OC)cccc2N2CCN(C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35920835
47347,CCCOc1ccc(ON)c(CN2CCCN(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.70273566
47348,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(c3ccccc3OC3CC3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35626686
47349,CCCOc1ccc(OS(N)(=O)=O)c(CNc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07043066
47350,CCOc1ccccc1C1CCN(c2cc(OCCS(C)(=O)=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29224113
47351,CCc1ccccc1C1CCN(CCOc2ccc(OC)c(C(N)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.622308
47352,CCc1ccccc1OC1CCN(CCOc2ccc(OC)c(N=S(C)(=O)O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.53492594
47353,COC1CCN(CCN2CCN(c3ccccc3OCC=Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8333413
47354,COCCOc1ccc(OC)c(C2CCc3ccc(C(C)=O)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2409381
47355,COOc1ccc(OCCCN2CCN(c3cccc(F)c3)CC2)cc1C=O,[*]CCOc1ccc(O[*])c([*])c1,0.6949181
47356,COOc1ccc(OCCNCCc2ccc3c(c2)NC(=O)CCS3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.19162583
47357,COc1cc2c(cc1-c1ccn(C)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7382878
47358,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc5cccc(CO)c5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7129246
47359,COc1ccc(OC)c(Cc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.80487543
47360,COc1ccc(OCCC(N)=O)cc1N1CCC(CC(=O)c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2507826
47361,COc1ccc(OCCCCSc2ccc(F)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.10642037
47362,COc1ccc(OCCCN2CCC(c3cccc(C(F)(F)F)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6494652
47363,COc1ccc(OCCCc2ccc(F)cc2)cc1CN1CCCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.70466363
47364,COc1ccc(OCCN(C)S(C)(=O)=O)cc1CCOc1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.12314497
47365,COc1ccc(OCCN2CCC(c3ccccc3OC3CCCC3)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.63081074
47366,COc1ccc(OCCN2CCN(c3cccc4ccc(F)cc34)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.88835686
47367,COc1ccc(OCCN=S(C)(=O)O)cc1OCCCc1cccc2c1C=CCC2N,[*]CCOc1ccc(O[*])c([*])c1,0.19839652
47368,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1CN1CCC(S(=O)(=O)O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.15479206
47369,COc1ccc(OCCNC2CCN(Cc3ccccc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.6247386
47370,COc1ccc(OCCOS(C)(=O)=O)cc1NCC1CCC(Oc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1266057
47371,COc1ccc(OCCS(C)(=O)=O)cc1C1CCC(Cc2ccc(OC3CCCCN3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.13211778
47372,COc1ccc(OCCS(C)(=O)=O)cc1NCC1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.10734632
47373,COc1cccc2c1CN1CCc3cc(C=O)c(N)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7257734
47374,COc1cccc2c1CN1CCc3cc(CNc4cccc(C#N)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5672797
47375,COc1ccccc1-c1cc(C(=O)NCCN2CCN(Cl)CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32410476
47376,COc1ccccc1N1CCN(CCN2CCC(c3ccc(F)c(O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8785507
47377,COc1ccccc1N1CCN(CCN2CCC(n3c(O)nc4cc(F)ccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8537276
47378,CS(=O)(=O)c1ccccc1N1CCN(CCN2CCC(n3c(O)nc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6479273
47379,Cc1cc(OCCCCSc2ccc(C(C)C)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.04828438
47380,Cc1cc(OCCN2CCC(c3cc4ccccc4o3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.55744183
47381,Cc1ccccc1N1CCN(CCN2CCC(c3cccc(NC(=O)N(C)C)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.56254846
47382,N#Cc1ccc(S(=O)(=O)Nc2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40263304
47383,O=C(c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)n1cccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5010669
47384,O=C1CC(=O)N(c2cccc(CN3CCN(CCCC(F)(F)F)CC3)c2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5763261
47385,Oc1cc2c(cc1-c1cccc(OC(F)(F)F)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61980665
47386,Oc1ccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7248828
47387,CC(O)c1ccccc1N1CCN(CCN2CCC(c3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6878456
47388,CCCOc1ccc(OC)c(NC(=O)COc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.00834492
47389,CCCOc1ccc(OF)c(CN2CCC(C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5010972
47390,CCCOc1ccc(ON2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c(N=S(C)(=O)O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35143706
47391,CCCOc1ccc(ON=S(C)(=O)O)c(Nc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05816974
47392,CCCOc1ccc(ONC(=O)c2ccc(F)cc2)c(CNc2ccccc2OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.015639715
47393,CCCOc1ccc(ONS(C)(=O)=O)c(Oc2cc3c(cc2OCCC)CCC(=O)N3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21076933
47394,CCCOc1ccc(OOC)c(C(=O)Cc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17240337
47395,CCCOc1ccc(OOC)c(CNCC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04485154
47396,CCCOc1ccc(OOS(C)(=O)=O)c(CCCOc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.115095176
47397,CCCOc1ccc(OSC)c(CNC(=O)c2ccc(C3CCCN3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.079280086
47398,CCOC(=O)c1ccccc1N1CCN(CCN2CCC(c3cccc(Cl)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6177435
47399,CCOCCc1cc(OCCc2ccc(F)cc2)ccc1OOC,[*]CCOc1ccc(O[*])c([*])c1,0.1016494
47400,CCOc1ccccc1N1CCN(CCN2CCC(NC(=O)N(C)Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6817053
47401,CCS(=O)(=O)Oc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7918144
47402,CNc1ccc(COC(=O)c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40563256
47403,COC1CCN(CCN2CCN(c3ccccc3Nc3ccc(OC(F)(F)F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4242442
47404,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc(-c4ccccc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9371278
47405,COCc1cc2c(cc1OC)CCN1Cc3c(C=Cc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66840106
47406,COc1cc2c(cc1-c1cccc(OC(F)(F)F)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57583416
47407,COc1cc2c(cc1-c1cncc(C)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63568705
47408,COc1ccc(OCCCN2CCC(c3cccc(C(F)(F)F)c3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6406135
47409,COc1ccc(OCCCS(=O)(=O)c2ccc(F)c(F)c2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.075781435
47410,COc1ccc(OCCNS(=O)(=O)c2cc(C(C)C)ccc2F)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.049913157
47411,COc1ccc(OCCOc2ccccc2SC)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.120683044
47412,COc1ccc(OCCS(C)(=O)=O)cc1CC1c2ccccc2C(=O)CC1C,[*]CCOc1ccc(O[*])c([*])c1,0.104133785
47413,COc1cccc(Oc2cc3c(cc2OC)C2Cc4cccc(C)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71575654
47414,COc1ccccc1N1CCN(CCCOc2ccc(OCF)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8758462
47415,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cc4cc(F)ccc4nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8903854
47416,COc1ccccc1N1CCN(CCN2CCC(On3cc(-c4ccccc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8359646
47417,COc1ccccc1N1CCN(Oc2ccc(OCCCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3106402
47418,Cc1cc(OCCCCCc2ccccc2)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.11474967
47419,Cc1cc(OCCCNc2ccc(F)cc2OS(C)(=O)=O)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.089465216
47420,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(CC2CCCC2)=CC=C2C=CC(CC1)O2,[*]CCOc1ccc(O[*])c([*])c1,0.17466879
47421,Cc1cc(OCCNC(=O)Cc2ccccc2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.01822081
47422,Cc1cc(OCCNS(=O)(=O)c2ccccc2)ccc1ON1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.13693859
47423,Cc1cc(OCCOC(=O)Cc2ccc3c(c2)NC(=O)CC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1223818
47424,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27826166
47425,Cc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(OC#N)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5951077
47426,Cc1cccc2c1CN1CCc3cc(NC(=O)Nc4c(Cl)cccc4Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32706916
47427,Fc1cccc(C2CCN(CCN3CCN(c4ccccc4OC(F)(F)F)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85212785
47428,N#Cc1ccccc1N1CCN(CCN2CCC(c3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8269415
47429,O=C(NC1CCCc2ccccc21)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5633316
47430,O=c1[nH]cccc1-c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57969457
47431,CC#Cc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7329684
47432,CC(=O)OCCOc1ccc(ONS(=O)(=O)c2sccc2C)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.025929434
47433,CCCOc1ccc(OC)c(CS(=O)(=O)C2CCCN2CCc2ccc(C(F)(F)F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2960372
47434,CCCOc1ccc(OCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)c(OCCF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.63132507
47435,CCCOc1ccc(ON2CCCC(OCC)C2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35498363
47436,CCCOc1ccc(ON2CCN(CCC)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5481258
47437,CCCOc1ccc(ONCc2ccc(F)cc2)c(NC=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.075520694
47438,CCNC(=O)Nc1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.28827554
47439,COC(=O)NCc1cccc(-c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39128056
47440,COC(=O)c1cccc(CN2CCN(CCCCc3cccc(OC)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48996153
47441,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccc4[nH]ccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6181504
47442,COC1CCN(CCN2CCN(c3ccccc3CSc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68623483
47443,COc1cc(C(=O)NCCN2CCN([O-])CC2)ccc1-c1ccccc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27315956
47444,COc1cc(OCCN2CCCCC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3253166
47445,COc1cc2c(cc1Cc1ccc3[nH]ccc3c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.754749
47446,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(OC)c(OC)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74196875
47447,COc1cc2c(cc1O)CCN1Cc3c(cccc3[N+](C)=O)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6742971
47448,COc1cc2c(cc1OC)C1Cc3cccc(COCc4ccc(C(F)(F)F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78928363
47449,COc1ccc(OCCC(F)(F)F)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07735376
47450,COc1ccc(OCCCN2CCC(c3ccccc3OC3CC3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.79931426
47451,COc1ccc(OCCCN=S(C)(=O)O)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.06927498
47452,COc1ccc(OCCNC(=O)Cc2ccc3c(c2)NC(=O)CC3)cc1CN(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.0508225
47453,COc1ccc(OCCS(C)(=O)=O)cc1CC(C)COc1ccc2c(c1)CCC(=O)N2,[*]CCOc1ccc(O[*])c([*])c1,0.17991245
47454,COc1ccc(OCCS(C)(=O)=O)cc1CN1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.28034353
47455,COc1ccc(OCCS(C)(=O)=O)cc1CNC(=O)c1c(Cc2ccccc2)sc2ccccc12,[*]CCOc1ccc(O[*])c([*])c1,0.026931064
47456,COc1cccc(CN2CCN(CCCC3=Nc4ccccc4OC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60208935
47457,COc1cccc(CN2CCN(CCCCN3C(=O)c4ccccc4C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7076838
47458,COc1cccc(CN2CCN(CCCCc3cc(C=Cc4ccccc4)no3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69941735
47459,COc1cccc(CN2CCN(CCCCc3cccc4cc(C)ccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59636086
47460,COc1cccc2c1CN1CCc3cc(-c4ccc(CO)cc4)c(C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58355516
47461,COc1cccc2c1CN1CCc3cc(Cc4cccs4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7263361
47462,COc1cccc2c1CN1CCc3cc(N=Cc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7047238
47463,COc1cccc2c1CN1CCc3cc(Nc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5437917
47464,COc1cccc2c1CN1CCc3cc([N+](=O)[O-])c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49093416
47465,COc1ccccc1CN1CCN(Oc2ccc(OCCNS(C)(=O)=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2674972
47466,COc1ccccc1N1CCN(COc2ccc(OCCNC(=O)Cc3cccnc3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.459179
47467,CSOc1ccc(OCCN2CCCC(Cc3ccc(OC4CCNC4=O)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.35348177
47468,CSc1cccc(CN2CCN(CCCc3ccco3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.602709
47469,Cc1cc(OCCCC(=O)c2ccc(Cl)cc2)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.03924946
47470,Cc1cc(OCCNS(C)(=O)=O)ccc1Oc1ccccc1CCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.14395005
47471,Cc1cc2c(cc1CO)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.701206
47472,Cc1cccc2c(-c3cccc(CN4CCN(CCCCl)CC4)c3)cccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.52844685
47473,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)C(=O)c1cc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5438313
47474,O=C(NCCCCN1CCN(Cc2cccc(Cl)c2)CC1)c1cc2ccccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6824562
47475,CC(=O)c1ccc(-c2cccc(CN3CCN(CCCN4CCCCC4C)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.45269692
47476,CC1CCN(CCN2CCN(c3ccccc3C(=O)Nc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5014475
47477,CCC(=O)c1cccc2c1CN1CCc3cc(CO)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.530789
47478,CCCNOc1ccc(OCCC)cc1CNCC1CCc2ccc(OC)cc2O1,[*]CCOc1ccc(O[*])c([*])c1,0.5291691
47479,CCCOc1ccc(OF)c(CN2CCC(C(=O)OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2713607
47480,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3ccc4c(c3)NC(=O)CCC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38208583
47481,CCCOc1ccc(OS(N)(=O)=O)c(NC(=O)COc2cccc(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.005658445
47482,CNOc1ccc(OCCN2CCN(c3ccccc3OC(C)C)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.77712786
47483,CNc1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6471263
47484,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4cscn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76845306
47485,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(C=O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82330006
47486,COC1CCN(CCN2CCN(c3ccccc3-c3nc4ccccc4nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7098828
47487,COCCCN1CCN(Cc2cccc(-c3cccc4ccc(=O)oc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.50089675
47488,COCCCN1CCN(Cc2cccc(N3C(=O)CC4(C=CC4)CC3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5404505
47489,CON1CCN(CCNC(=O)c2ccc(C(C)=O)c(-c3ccc(C)cc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.16036393
47490,COc1cc2c(cc1C)CCN1Cc3c(cccc3Oc3ccccc3C)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69778347
47491,COc1cc2c(cc1O)C1Cc3cccc(CCc4ccc(C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6691101
47492,COc1ccc(C(C)Oc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68074924
47493,COc1ccc(CCNCc2cc(OCCNS(C)(=O)=O)ccc2OC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.11066055
47494,COc1ccc(OCCN2CCC(c3ccccc3OC3CCCC3)C2)cc1C(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5495784
47495,COc1ccc(OCCN2CCC(c3ccccc3OC3CCCC3)C2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.6810213
47496,COc1ccc(OCCN2CCN(c3ccc(OCC(F)(F)F)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6966323
47497,COc1ccc(OCCN2CCN(c3cccc(C(C)C)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6731306
47498,COc1ccc(OCCNC(=O)c2cccc(C)c2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.015856288
47499,COc1ccc(OCCNS(=O)(=O)c2ccc(F)cc2)cc1C1CCCN1,[*]CCOc1ccc(O[*])c([*])c1,0.20544577
47500,COc1ccc(OCCS(=O)(=O)O)cc1N1CCC(CCc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3560886
47501,COc1ccc(OCCS(C)(=O)=O)cc1OCCc1ccc(F)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.10360721
47502,COc1cccc(CCCCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6687763
47503,COc1cccc2c1CN1CCc3cc(CNCCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58422154
47504,COc1ccccc1N1CCN(CCN2CCC(c3ncc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8578589
47505,COc1ccccc1N1CCN(Oc2ccc(OCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.36004347
47506,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.16267581
47507,Cc1cc(OCCNS(=O)(=O)c2ccc(Cl)cc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.051309127
47508,Cc1cc(OCCOCCc2ccc(C(=O)F)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.02815315
47509,Cc1cccc2c1CN1CCc3cc(-c4ccc(N(C)C)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63372725
47510,Cc1ccccc1N1CCN(CCN2CCC(OC(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.60172343
47511,FCCOC1CCN(CCN2CCN(c3ccccc3-c3ccc(F)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78481895
47512,NOc1ccc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1C=O,[*]CCOc1ccc(O[*])c([*])c1,0.69589525
47513,O=C(c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)C1CCc2ccc(O)cc2O1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5965199
47514,O=Cc1cccc(Cc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.596302
47515,OC(CCCN1CCN(Cc2cccc(Cl)c2)CC1)c1ccccn1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6095881
47516,Oc1cc2c(cc1NOc1ccccc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5830154
47517,Oc1cc2c(cc1O)C1Cc3cccc(OCc4ccco4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6950099
47518,Oc1cccc2c1CN1CCc3cc(C=NOCc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6928606
47519,C#Cc1cccc(Cc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6615024
47520,CCCOc1ccc(OCN)c(N2CCCC(c3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.42327935
47521,CCCOc1ccc(ONS(C)(=O)=O)c(NC(=O)COc2ccc3c(c2)N(CC)C(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.068433665
47522,CCCOc1ccc(OOC)c(CNC(=O)c2ccc(CCC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.025186926
47523,CCCOc1ccc(OOC)c(N2CCCN(c3ccccc3F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33152115
47524,CCCOc1ccc(OS(C)(=O)=O)c(CC2NCCc3cc(OCC)ccc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3425479
47525,CCCOc1ccc(OS(C)(=O)=O)c(CCCc2ccc(OC3CCC(=O)NC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25356147
47526,CCNC(=O)NCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43961066
47527,CCOc1cc2c(cc1OC)CCN1Cc3c(Cc4ccc(OC)c5ccccc45)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63508743
47528,CCOc1ccccc1-c1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5552335
47529,CCOc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccccc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8214947
47530,CCOc1ccccc1N1CCN(c2cc(OCCOCC=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.327105
47531,CN(C)c1cccc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7432057
47532,CNC(=O)CCOc1ccc(OC)c(NCCOc2cccc3c2CCC(=O)C3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10128353
47533,CNc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5205885
47534,COC(=O)C1Cc2ccccc2N1c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6933813
47535,COc1cc2c(cc1C)CCN1Cc3c(CNCc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6089423
47536,COc1cc2c(cc1Cl)CCN1Cc3c(CO)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7277036
47537,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)N(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5686607
47538,COc1cc2c(cc1OCc1ccc(CO)cc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6906449
47539,COc1cc2c(cc1ONCc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6814291
47540,COc1ccc(OCCC(C)=O)cc1CN1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4707263
47541,COc1ccc(OCCN2CCCC(c3ccccc3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.7076184
47542,COc1ccc(OCCNS(=O)(=O)c2ccc(C(C)C)cc2)cc1C1CCCC[SH]1C,[*]CCOc1ccc(O[*])c([*])c1,0.08289821
47543,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Cc2cccs2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.30554256
47544,COc1ccc(OCC[SH](=O)=O)cc1CCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.28414613
47545,COc1cccc(CN2CCN(CCCc3ccccn3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64428383
47546,COc1ccccc1-c1cc(C(=O)NCCN2CCN(C)CC2)ccc1OC(C)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32766905
47547,COc1ccccc1-c1cc(C(=O)NCCN2CCN(C)CC2)ccc1OS(C)(=O)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30199975
47548,COc1ccccc1N1CCN(CCN2CCC(c3cccc(-c4cccc(Br)c4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73579866
47549,COc1ccsc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1N,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32308733
47550,Cc1cc(OCCN2CCC(NC(=O)c3ccc(F)c(F)c3)C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.40539896
47551,Cc1cc(OCCNCCc2ccc3c(c2)OCC(=O)N3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13563898
47552,Cc1cc(OCCNCc2cccc3c2CCCC(=O)N3)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.082054876
47553,Cc1cc(OCCNCc2cccs2)ccc1ON1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.21447122
47554,Cc1cc2c(cc1-c1ccc3[nH]ccc3c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6548827
47555,Cc1cccc(CN2CCN(CCCc3ccccc3S(=O)(=O)O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4923722
47556,FC(F)(F)CCCN1CCN(Cc2cccc(Nc3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46705434
47557,O=C1c2ccccc2C(=O)N1c1cccc(CN2CCN(CCC[N+](=O)[O-])CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5271168
47558,Oc1cc2c(cc1CNCCc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5769255
47559,Oc1cc2c(cc1OCc1ccc3ccccc3c1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6762948
47560,Oc1ccc2c(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)cccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8360781
47561,C#CC1CCN(CCN2CCN(c3ccccc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.89067554
47562,CCCCC1=CC=C(Oc2cc(OCCC)ccc2OS(N)(=O)=O)CC2SCC12,[*]CCOc1ccc(O[*])c([*])c1,0.16003445
47563,CCCOc1ccc(OC)c(CNS(=O)(=O)c2ccc(C(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08673943
47564,CCCOc1ccc(OCN2CCN(C)C2=O)c(Cc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23155725
47565,CCCOc1ccc(ONCCc2ccc(F)cc2)c(C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10095925
47566,CCCOc1ccc(ONS(C)(=O)=O)c(NC(=O)CCc2ccc3c(c2)CCC(=O)C3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.088422365
47567,CCCOc1ccc(OOC)c(Cn2cc(CCc3ccccc3)cc2O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10310132
47568,CCCOc1ccc(OS(=O)(=O)NC)c(CN2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4600837
47569,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(c3ccc(CCCF)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25039536
47570,CCCOc1ccc(OS(N)(=O)=O)c(NCc2ccc(CCCF)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07351695
47571,CCOc1cc2c(cc1Oc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68711984
47572,CCOc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3ccc4cccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7240177
47573,CCc1ccccc1C1CCN(CCOc2ccc(OC)c(CS(=O)O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5883009
47574,CNS(=O)(=O)c1cc(OCCc2ccccc2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.11251114
47575,COC(=O)Nc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35623622
47576,COC1CCN(CCN2CCN(c3ccccc3C3CCc4cc(O)c(O)cc4O3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77618176
47577,COCCCN1CCN(Cc2cccc(-c3ccnc4ccccc4c3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4803543
47578,COCCOc1ccc(OC)c(CCCc2ccc3c(c2)CC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25641972
47579,COc1c(Cl)cccc1-c1cc(C(=O)NCCN2CCN(C)CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.1816807
47580,COc1cc2c(cc1C(=O)Nc1cccc(F)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35865855
47581,COc1cc2c(cc1O)CCN1Cc3c(Cc4cccc(OC(F)(F)F)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5887721
47582,COc1cc2c(cc1OC)C1Cc3cccc(C4COCCN4Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6402091
47583,COc1cc2c(cc1OC)C1Cc3cccc(Cc4cccn4C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7345305
47584,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(cccc3ON)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8195582
47585,COc1ccc(OCCCn2cc(C)c3cc(F)ccc32)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.15871836
47586,COc1ccc(OCCN2CCC(Cc3ccc(F)cc3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6276056
47587,COc1ccc(OCCN2CCC(OCCc3ccc(F)cc3)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.6349949
47588,COc1ccc(OCCN=S(C)(=O)O)cc1-c1ccc(OCC(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.051819064
47589,COc1ccc(OCCN=S(C)(=O)O)cc1NCCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.20282795
47590,COc1ccc2c(c1)CC(CCNCCOc1ccc(OC)c(OC)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.4591839
47591,COc1cccc(CN2CCN(CCCc3ccc4sc(C(N)=O)cc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.37695
47592,COc1ccccc1N1CCN(CCN2CCC(c3cc(Br)cnc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80072796
47593,Cc1cc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)ccc1OS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5535607
47594,Cc1cc(OCCN=S(C)(=O)O)ccc1ONCCc1cccc2c1CCC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.0977469
47595,Cc1cc(OCCS(C)(=O)=O)ccc1OOC1CCC(Nc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.123358056
47596,Cc1ccccc1N1CCN(CCN2CCC(CCn3cc(F)ccc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5718303
47597,ClCCCN1CCN(Cc2cccc(Cc3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.77518755
47598,N#Cc1cccc(-c2cc3c(cc2-c2ccccc2)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6892683
47599,O=C(NCc1ccccc1)C(=O)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55457634
47600,O=C(OCc1ccccc1)c1cccc2c1CN1CCc3cc(Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5166123
47601,Oc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cn1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6379742
47602,Oc1ccc(-c2ccccc2)nc1C1CCN(CCN2CCN(c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6304077
47603,CC(=O)Oc1ccc(OCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.7431008
47604,CC(C)c1ccccc1N1CCN(CCN2CCC(C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7950118
47605,CC1c2ccccc2C(=O)N1c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6255747
47606,CCCOc1ccc(OC2(C)CCNC(=O)C2)c(CC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0825088
47607,CCCOc1ccc(ON=S(C)(=O)O)c(N2Cc3ccccc3CC2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17904606
47608,CCCOc1ccc(ONS(C)(=O)=O)c(NC(=O)CCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.009668562
47609,CCCOc1ccc(OOC)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.090757996
47610,CCOC1CCN(CCN2CCN(c3ccccc3-n3c(O)nc4cc(F)ccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6970035
47611,CCOCCOc1ccc(ON2CCCC2C=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2162246
47612,CCOc1ccccc1N1CCN(c2cc(OCCF)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.38133848
47613,CNOc1ccc(OCCNCc2ccc(OC)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.16903804
47614,COCCOc1ccc(OC)c(CCNc2ccc(F)cn2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.060326714
47615,COOc1ccc(OCCNC(=O)COc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.06198717
47616,COOc1ccc(OCCc2ccccn2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.10258567
47617,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(C)[nH]4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6760357
47618,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)NCCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49407846
47619,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(C)Cc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78808355
47620,COc1cc2c(cc1Oc1cccc(C#N)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7533549
47621,COc1ccc(OCCC(N)=O)cc1C1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.0993293
47622,COc1ccc(OCCN2CCC(c3coc4ccccc34)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.69231325
47623,COc1ccc(OCCN=S(C)(=O)O)cc1NCCc1ccccc1OC1CCNC1,[*]CCOc1ccc(O[*])c([*])c1,0.18076678
47624,COc1ccc(OCCNS(C)(=O)=O)cc1CCOc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.11530154
47625,COc1ccc(OCCOCC2CCCc3ccc(C(N)=O)cc3C2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.18827079
47626,COc1ccc(OCCOS(C)(=O)=O)cc1CN1CCC(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.54691124
47627,COc1ccc(OCC[SH](C)(=O)O)cc1CN1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.50155294
47628,COc1cccc(CN2CCN(CCCC3=CCOc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59286094
47629,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(OC)CC2)cc1N(C)C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.40346602
47630,COc1ccccc1N1CCN(CCN2CCC(Cc3ccc(NC(C)=O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.61015326
47631,COc1ccccc1N1CCN(CCN2CCC(Nc3cccc(-c4ccc(O)nc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74272364
47632,COc1ccccc1NC1CCN(Oc2ccc(OCCS(C)(=O)=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2045987
47633,CS(=O)(=O)NOc1ccc(OCCF)cc1N1CCC(Cc2ccc(C(=O)C3CCNC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.22066632
47634,Cc1cc(OCCN2CCC(NS(=O)(=O)c3cccc(Cl)c3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.65581375
47635,Cc1cc(OCCNS(=O)(=O)c2cccs2)ccc1ON1CCC(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2637824
47636,Cc1cccc(CN2CCN(CCCN=C3COc4ccccc4N3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60672724
47637,Cc1ccccc1-c1cccc2c1CN1CCc3cc(Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5397372
47638,ClCCCN1CCN(Cc2cccc(-c3ccccn3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70059484
47639,O=C(Nc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2)Nc1cccc2ccccc12,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.30727527
47640,O=C(Nc1cccc(CN2CCN(CCCF)CC2)c1)c1cccc(-c2cccs2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.32656208
47641,O=C(c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2)C1CCCC1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4701019
47642,OCc1ccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70604026
47643,Oc1cc2c(cc1Cc1cccc3ccccc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7743121
47644,Oc1cc2c(cc1O)C1Cc3cccc(F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8009968
47645,Oc1cccc2c1CN1CCc3cc(-c4ccccc4)c(-c4cccnc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6135443
47646,CC(=O)Nc1ccc(C2CCN(CCN3CCN(c4ccccc4C(C)C)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.54495925
47647,CC(C)(C)C(=O)NCc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.47714442
47648,CC(C)(C)c1ccccc1N1CCN(CCN2CCC(Oc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72670865
47649,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3nccn3Cc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6834747
47650,CC(O)c1ccccc1N1CCN(CCN2CCC(c3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7086252
47651,CC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccc(O)cc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70466816
47652,CCCOc1ccc(OC(=O)NSC)c(NCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.029037079
47653,CCCOc1ccc(OC)c(C(=O)NCc2ccc(C)o2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.026138011
47654,CCCOc1ccc(OCCOc2ccccc2C)c(NCC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.028681776
47655,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCC(Cc3ccc4c(c3)NC(=O)CCC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37828642
47656,COC1CCN(CCN2CCN(c3ccccc3-c3cccc(-c4ccc(F)cc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7904958
47657,COC1CCN(CCN2CCN(c3ccccc3-n3cnc(-c4ccc(Cl)cc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81496334
47658,COCCCN1CCN(Cc2cccc(C3Cc4ccccc4C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70186824
47659,COCCOc1ccc(OC)c(CC(=O)c2ccc(S(C)(=O)=O)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.039011065
47660,COCCOc1ccc(OC)c(CCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15625912
47661,COc1c(-c2cccc(CN3CCN(CCCCl)CC3)c2)ccc2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6127413
47662,COc1cc2c(cc1CNCc1cccc(C#N)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56653714
47663,COc1cc2c(cc1O)C1Cc3cccc(Oc4cccc(O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.84715974
47664,COc1cc2c(cc1O)CCN1Cc3c(Cc4cc(C#N)ccc4OC)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6633089
47665,COc1ccc(COC(=O)c2cc3c(cc2OC)CCN2Cc4c(cccc4OC)CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4436107
47666,COc1ccc(OCCC(C)=O)cc1CNCC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.21763463
47667,COc1ccc(OCCCF)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.066921405
47668,COc1ccc(OCCCN)cc1-c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.1294843
47669,COc1ccc(OCCCNS(C)(=O)=O)cc1N1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.23658052
47670,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCC(Oc2ccc(CC3CCCCC3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.14662446
47671,COc1ccc(OCCNC(O)Cc2ccc3c(c2)NC(=O)CC3)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.18564133
47672,COc1ccc(OCCNCCc2ccccc2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.21698973
47673,COc1ccc(OCCNCc2ccccc2)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.28525102
47674,COc1ccc(OCCS(C)=O)cc1CN1CCC(c2ccccc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5643897
47675,COc1cccc(-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64532346
47676,COc1cccc(CN2CCN(CCCC=Cc3ccc4ccccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7117896
47677,COc1ccccc1N1CCN(CCN2CCC(c3cccc(Cl)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87816316
47678,COc1ccccc1N1CCN(CCN2CCC(n3ccnc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8541345
47679,COc1ccccc1NC(=O)C1CCN(CCN2CCN(c3ccccc3OC(C)C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5205209
47680,CSOc1ccc(OCCN2CCC(Cc3ccc(OS(C)(=O)=O)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.539926
47681,Cc1cc(OCCN2CCC(Cc3ccc(OC4CCCCN4)cc3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5279072
47682,Cc1cc(OCCN2CCCC(Cc3ccc(OC4CCC(=O)NC4)cc3)C2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.40611455
47683,Cc1cc(OCCOc2ccc(C(C)C)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.044071034
47684,Cc1ccccc1N1CCN(CCN2CCC(COc3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66000056
47685,ClCCCN1CCN(Cc2cccc(N3CCCCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.577323
47686,O=C(c1cccc(CN2CCN(CCCF)CC2)c1)C1CCc2ccccc2CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6676182
47687,O=Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.618168
47688,Oc1cc2c(cc1O)C1Cc3cccc(Cc4ccn[nH]4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.675341
47689,Oc1cc2c(cc1O)C1Cc3cccc(N4CCCC4O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6831929
47690,CC(=O)NCCCN1CCN(Cc2cccc(-c3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.36787853
47691,CC(=O)NOc1ccc(OCCC(=O)COc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.120687075
47692,CCCOc1ccc(OC)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.84660757
47693,CCCOc1ccc(OCN2CCC(c3ccccc3OC)CC2)c(CNOC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5729112
47694,CCCOc1ccc(OCN2CCN(c3ccccc3OC)CC2)c(-c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7533608
47695,CN(C)C1CCN(CCN2CCN(c3ccccc3Oc3ccc4nc(O)[nH]c4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78114456
47696,CN(OCc1ccccc1)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65739703
47697,COC(=O)Oc1cc2c(cc1OC)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.33902198
47698,COCCCN1CCN(Cc2cccc(C(C(=O)c3ccccc3)N3CCCC3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.43031493
47699,COCCCN1CCN(Cc2cccc(CC(=O)c3ccccc3OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.47769234
47700,COCCOc1ccc(OC)c(S(=O)(O)=Nc2ccccc2OCC(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.052022826
47701,COOc1ccc(OCCCN2CCC(NS(=O)(=O)c3cccc(Cl)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6811125
47702,COc1cc2c(cc1Cc1cccc(CO)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77697843
47703,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccc(CF)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6939042
47704,COc1cc2c(cc1OC)C1Cc3cccc(CC#N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.80084044
47705,COc1cc2c(cc1OC)C1Cc3cccc(OCC(C)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5187951
47706,COc1ccc(OCCCCCc2ccccc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.1060318
47707,COc1ccc(OCCF)cc1CC(=O)c1ccc(S(C)(=O)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.044341814
47708,COc1ccc(OCCN2CCC(Cc3ccc(F)cc3)CC2)cc1[SH](C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5446047
47709,COc1ccc(OCCN2CCC(OCCc3ccccc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.60651207
47710,COc1ccc(OCCN2CCNC(CCc3ccc(F)cc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.46891144
47711,COc1ccc(OCCNC(=O)c2ccccc2)cc1C(=O)C1CCCNC1,[*]CCOc1ccc(O[*])c([*])c1,0.065881416
47712,COc1ccc(OCCNC(=O)c2sccc2F)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.022809807
47713,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(CCc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.3164004
47714,COc1ccc(OCCS(C)(=O)=O)cc1NCC1CCc2ccccc2O1,[*]CCOc1ccc(O[*])c([*])c1,0.34731084
47715,COc1cccc(C2CCN(c3cc(OCCSC)ccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4122212
47716,COc1cccc(CCCCOc2ccc(OC)c(S(C)(=O)=O)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12634456
47717,COc1cccc(CN2CCN(CCCCNS(=O)(=O)c3scc4ccccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5284382
47718,COc1cccc(CN2CCN(CCCCc3cc4ccccc4nc3O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6936451
47719,COc1ccccc1-c1cc(C(=O)NCCN2CCN(SC)CC2)ccc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.38660753
47720,COc1ccccc1C1CCN(c2cc(OCCNC(C)=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20221727
47721,COc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccc(F)cc4)cnc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77398205
47722,Cc1cc(OCCCCCc2ccc3c(c2)NC(=O)CC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.18488955
47723,Cc1cc(OCCN2CCC(COc3ccc(F)cc3)CC2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6046315
47724,Cc1cc(OCCN2CCC(Cc3ccc(F)cc3F)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.64405406
47725,Cc1cc(OCCN2CCC(Oc3ccc(CCF)cc3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.5824032
47726,Cc1cc(OCCN2CCC(c3ccc(F)cc3)CC2)ccc1OOS(C)(=N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6726865
47727,Cc1cc(OCCN2CCCC(CCc3ccc4c(c3)NC(=O)CC4)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6058896
47728,Cc1cc(OCCNCCc2ccccc2)ccc1OCl,[*]CCOc1ccc(O[*])c([*])c1,0.2367302
47729,Cc1cc(OCCNCc2ccc(CS(C)(=O)=O)cc2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.19224903
47730,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCCC(CCc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2076748
47731,Cc1ccccc1N1CCN(CCN2CCC(c3ccc(O)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5305592
47732,Clc1ccccc1N1CCN(CCN2CCC(c3c[nH]c4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8121521
47733,O=C(NC1CCC(CCCN2CCN(Cc3cccc(Cl)c3)CC2)CC1)C1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5013818
47734,Oc1cc2c(cc1-c1nccs1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6222375
47735,Oc1cc2cc(-c3cccc(CN4CCN(CCCF)CC4)c3)ccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64746505
47736,C=CC1Cc2ccccc2N1C(=O)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6523467
47737,CC(=O)Nc1cc(C(=O)NCCOc2ccc(ON=S(C)(=O)O)c(C)c2)ccc1F,[*]CCOc1ccc(O[*])c([*])c1,0.011065704
47738,CC1CCC(CCCN2CCN(Cc3cccc(Cl)c3)CC2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61802346
47739,CCCCCN1CCN(Cc2cccc(C(=O)c3cc4ccccc4s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.43013108
47740,CCCOc1ccc(ON2CCN(CCc3cccc(OC)c3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6345966
47741,CCCOc1ccc(ON2CCN(c3cccc(CCC)n3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31253535
47742,CCCOc1ccc(ON=S(C)(=O)O)c(C2CCN(CCc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6115758
47743,CCCOc1ccc(ONS(C)(=O)=O)c(C2CCN(CCc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7265182
47744,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(Cc3ccc4c(c3)CC(=O)NC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36751986
47745,CCCOc1ccc(O[SH](C)(N)=O)c(N2CCC(Oc3ccccc3CC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2783401
47746,CCOCCOc1ccc(OOC)c(CN2CCCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.768905
47747,CNOc1ccc(OCCNCc2cccc(OC)c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.14388879
47748,COC(=O)c1cc2c(cc1OC)CCN1Cc3c(Cc4ccc(OC)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44832483
47749,COCCOc1ccc(OCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26989064
47750,COCc1cc2c(cc1O)CCN1Cc3c(Cc4ccc(C#N)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55392414
47751,COOc1ccc(OCCc2ccc(F)cc2)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7674293
47752,COc1cc2c(cc1-c1ccc(N(C)C)cc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78963786
47753,COc1cc2c(cc1O)CCN1Cc3c(cccc3NC(=O)c3ccc(N(C)C)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.30865428
47754,COc1cc2c(cc1O)CCN1Cc3c(cccc3OC(=O)NCCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43776232
47755,COc1cc2c(cc1OC)C1Cc3cccc(OCc4ccc(S(N)(=O)=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5052923
47756,COc1cc2c(cc1OC)C1Cc3cccc(Oc4cccc(CO)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6211498
47757,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1Cc1cccc(Cl)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26176584
47758,COc1ccc(C)c(-c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62435895
47759,COc1ccc(OCCC(O)CCc2ccc3c(c2)NC(=O)CCC3)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.17041625
47760,COc1ccc(OCCN2CCC(C(=O)c3ccc(F)c(F)c3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.40246537
47761,COc1ccc(OCCN2CCC(NC(=O)c3cccc(F)c3)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.51822644
47762,COc1ccc(OCCN2CCC(c3ccccc3OC3CCCCC3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.65209794
47763,COc1ccc(OCCNC(=O)c2ccc(CCCF)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.028250663
47764,COc1ccc(OCCNCc2ccc(F)cc2)cc1S(=O)(=O)c1cc(SC)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.14322083
47765,COc1ccc(OCCOS(C)(=O)=O)cc1N1CCC(COc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3010415
47766,COc1ccc(OCCS(C)(=O)=O)cc1NOCC1CCc2cc(OC)c(OC)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.3609807
47767,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(OS(C)(=O)=O)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30184588
47768,Cc1cc(OCCF)ccc1ON=CN1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.37141272
47769,Cc1cc(OCCNS(=O)(=O)c2ccc(F)cc2)ccc1OCN1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.18439633
47770,Cc1cc(OCCc2ccc(OCC(C)C)cc2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.0858384
47771,Cc1cc2c(cc1O)CCN1Cc3c(Cc4cccc(C#N)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5577785
47772,Cc1ccccc1-c1cc(C(=O)NCCN2CCN([N+](=O)[O-])CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.21955323
47773,Cc1csc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.702415
47774,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)C1CCc2ccccc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7124248
47775,O=C(c1cnc2ccccc2c1)C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7429602
47776,Oc1cc2c(cc1-c1cccc(COC(F)(F)F)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7124699
47777,Oc1cc2c(cc1-c1cccnc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62277734
47778,Oc1ccccc1-c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6683086
47779,C=COc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.81079626
47780,CC(C)c1ccccc1N1CCN(CCN2CCC(C(=O)NCc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68010765
47781,CC1(C)Nc2ccccc2OC1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6036761
47782,CCCOc1ccc(OC)c(CN2CCN(C(C)=O)c3ccccc3C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07489492
47783,CCCOc1ccc(OCN2CCN(C)CC2)c(-c2ccc(C(F)(F)F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31852388
47784,CCCOc1ccc(ON)c(C2(F)CCN(C(=O)Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1227767
47785,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCCC(c3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19681686
47786,CCCOc1ccc(OOC)c(CNS(=O)(=O)c2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12426867
47787,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)COc2ccc(C3CCCCN3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.039928973
47788,CCCOc1ccc(OS(C)(=O)=O)c(NC2CCC(Oc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22878022
47789,CCCOc1ccc(OS(C)(=O)=O)c(NCC2CCc3cc(OC)c(OC)cc3C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27572307
47790,CCOc1ccccc1N1CCN(CCN2CCC(c3ccc4cccnc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71710885
47791,CCc1cccc(C2CCN(CCOc3ccc(OC)c(C(N)=O)c3)CC2)c1OC1CCCNC1,[*]CCOc1ccc(O[*])c([*])c1,0.559349
47792,COC1CCN(CCN2CCN(c3ccccc3-n3c(-c4ccccc4)cnc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6932683
47793,COC1CCN(CCN2CCN(c3ccccc3S(=O)(=O)c3ccc4cccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6337266
47794,COc1cc(C(=O)NCCN2CCN(O)CC2)ccc1-c1cccc([N+](=O)[O-])c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.19222885
47795,COc1cc2c(cc1CNc1cccc3cccc(OC)c13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4670381
47796,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccc([N+](=O)C(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6013283
47797,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc(COC5CCCC5)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64072746
47798,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(COC(C)=O)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5180609
47799,COc1cc2c(cc1OCc1ccc(C)cc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60015357
47800,COc1cc2c(cc1OCc1ccc(S(C)(=O)=O)cc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45245385
47801,COc1ccc(CC(F)CCOc2ccc(OC)c(CN3CCN(c4ccccc4OC)CC3)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.74935955
47802,COc1ccc(OCCCC2CCN(C)CC2)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.34577048
47803,COc1ccc(OCCN2CCCC(c3ccc(Cl)cc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4752211
47804,COc1cccc(-c2cc3c(cc2Oc2ccccc2)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60490173
47805,COc1cccc(CN2CCN(CCCc3ccc4cc(S)ccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5740339
47806,COc1cccc2c1CN1CCc3cc(-c4ccc5ncccc5c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6756006
47807,COc1ccccc1N1CCN(CCN2CCC(c3ncc(-c4ccccc4)n3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8268946
47808,COc1ccccc1N1CCN(CCN2CCC(c3nccc4ncccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81296957
47809,COc1ccccc1NC(=O)c1cc(OCCCCSc2cc(F)ccc2C(C)C)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.04636812
47810,Cc1c[nH]c(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65006286
47811,Cc1cc(OCCN2CCC(c3ccccc3OC3CC3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.64474845
47812,Cc1cc(OCCNC(=O)COc2cccc(C(F)(F)F)c2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.009363685
47813,Cc1cc(OCCNC(=O)COc2ccccc2)ccc1OCN1CC=C(S(N)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.094006605
47814,Cc1cc(OCCNCC2OC=C(c3ccccc3)C2=O)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.101806395
47815,O=S1(=O)CCc2c(O)cccc2N1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69774675
47816,O=c1occc2ccc(-c3cccc(CN4CCN(CCCCl)CC4)c3)cc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5520155
47817,CC(=O)c1ccccc1N1CCN(CCN2CCC(F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6043221
47818,CC=S(C)(=O)Oc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7896525
47819,CCCCN1CCN(Cc2cccc(N3CCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.650739
47820,CCCCc1ccc(-c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6944725
47821,CCCOc1ccc(OCCOc2ccccc2C(C)C)c(NC2CCCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22016384
47822,CCCOc1ccc(ON2CCC(Cc3ccc(F)cc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.41088885
47823,CCCOc1ccc(ONCCc2ccccc2)c(OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09609958
47824,COC1CCN(CCN2CCN(c3ccccc3-c3cncc(-c4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6844888
47825,COCCCN1CCN(Cc2cccc(-c3csc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5892647
47826,COCCc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7759573
47827,COCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7479593
47828,CON1CCN(CCNC(=O)c2ccc(C)c(-c3cccc(C)c3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26800588
47829,COc1cc2c(cc1-c1cccc3ccccc13)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6735745
47830,COc1cc2c(cc1O)C1Cc3cccc(C(=O)NCc4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5161024
47831,COc1cc2c(cc1O)CCN1Cc3c(CSc4ccc(F)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7061438
47832,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cc(F)cc(F)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70583093
47833,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3ccc4c(c3)CCC(=O)N4)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44024915
47834,COc1ccc(C(=O)NCCN2CCN(Oc3ccccc3OC)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33290094
47835,COc1ccc(OCCF)cc1CN1CCN(c2ccccc2OS(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7403234
47836,COc1ccc(OCCF)cc1CS(=O)(=O)Cc1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06217649
47837,COc1ccc(OCCN2CCCC(CCc3ccccc3)C2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.50959325
47838,COc1ccc(OCCN2CCCC2=O)cc1NCCc1ccccc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2092935
47839,COc1ccc(OCCNS(C)(=O)=O)cc1NS(=O)(=O)C1CCCN1,[*]CCOc1ccc(O[*])c([*])c1,0.15200892
47840,COc1ccc(OCCSC)cc1CNC(=O)c1ccccc1OCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.032475762
47841,COc1cccc(CN2CCN(CCCC3c4ccccc4C(=O)N3c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5575338
47842,COc1cccc(CN2CCN(CCCN3c4ccccc4CCS3(=O)=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6714616
47843,COc1cccc(OC)c1-c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7734641
47844,COc1cccc2c1CN1CCc3cc(-c4ccc(F)cc4C#N)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74740016
47845,COc1cccc2c1CN1CCc3cc(Cc4cccs4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6636016
47846,COc1ccccc1N1CCN(CCN2CCC(Sc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81497437
47847,COc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4cccc(F)n4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.89584863
47848,Cc1cc(OCCCC(=O)c2ccc(F)cc2)ccc1ON1CCC(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19778691
47849,Cc1cc(OCCNC(=O)c2ccc(F)cc2)ccc1ON1CCC(C)CS1,[*]CCOc1ccc(O[*])c([*])c1,0.10011629
47850,Cc1cc(OCCNCc2cccs2)ccc1ON1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.34519404
47851,Cc1cc(OCCNS(C)(=O)=O)ccc1ONC(=O)COc1ccc(C=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.02330936
47852,Cc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1ccc2c(c1)OCO2,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.16797818
47853,Cc1ccc(F)c(S(=O)(=O)CNCCOc2ccc(ONS(C)(=O)=O)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07766772
47854,Cc1ccccc1N1CCN(CCN2CCC(C(=O)c3nc4ccccc4s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5848105
47855,Cc1ccccc1N1CCN(CCN2CCC(c3ccco3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64259917
47856,Cn1c(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)nc2ccccc21,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7243319
47857,N#CCOc1ccccc1N1CCN(CCN2CCC(c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.872015
47858,N#Cc1cc2c(cc1N)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.81095904
47859,O=C(Nc1cccc(CN2CCN(CCCF)CC2)c1)C1c2ccccc2CCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49897942
47860,Oc1cc2c(cc1OCc1ccc3ccccc3c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6924576
47861,Oc1cccc2c1CN1CCc3cc(-c4ccc(N5CCNCC5)cc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6659998
47862,Oc1cccc2c1CN1CCc3cc(N=Cc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7546236
47863,CC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4cccnc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7431016
47864,CCCOc1ccc(OC)c(N2CCC(OCCc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.41298226
47865,CCCOc1ccc(OCCNC(=O)c2cc(F)ccc2OC)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06177935
47866,CCCOc1ccc(OCCOc2ccc(F)cc2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11770367
47867,CCCOc1ccc(ON2CCCC(c3ccccc3)C2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38417354
47868,CCCOc1ccc(ONC(=O)Cc2ccccc2)c(C(=O)Nc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.030563965
47869,CCCOc1ccc(OS(C)(=O)=O)c(N2CC=C(c3ccc(CC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22395393
47870,CCCOc1ccc(OS(C)(=O)=O)c(NC2CCc3ccc(SC)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.51232773
47871,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(c3ccc(F)cc3)CC2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29244712
47872,CCCc1ccccc1C(=O)N1CCC(CCOc2ccc(OC)c(OC)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.10927334
47873,CNOc1ccc(OCCN2CCC(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.4628857
47874,COC1CCN(CCN2CCN(c3ccccc3-c3cccc4ccnn34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6978705
47875,COCCCN1CCN(Cc2cccc(NC(=O)C3(c4ccccc4)CCCC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.23575275
47876,COc1cc2c(cc1CN(C)C)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8268199
47877,COc1cc2c(cc1O)CCN1Cc3c(cccc3CN(C)Cc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7775897
47878,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)Nc4ccc(C(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32998216
47879,COc1ccc(OCCF)cc1CN(C(C)C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07241899
47880,COc1ccc(OCCF)cc1SCNC(=O)c1ccc(C(C)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.022725753
47881,COc1ccc(OCCN2CCC(NC(=O)c3ccccc3C)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.457937
47882,COc1ccc(OCCNC(=O)CCc2ccccc2)cc1-c1ccc(SC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.024440546
47883,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1N1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.36005977
47884,COc1ccc(OCCNCc2ccc(S(C)(=O)=O)cc2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.15575625
47885,COc1ccc(OCCOC=O)cc1N1CCN(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2909863
47886,COc1ccc(OCCS(N)(=O)=O)cc1CCOc1ccc(C(F)(F)F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.066801175
47887,COc1ccc(OCCSC)cc1OCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.15925495
47888,COc1cccc(CN2CCN(CCCCNC(=O)C3CCCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57915205
47889,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9182021
47890,CSOc1ccc(OCCN2CCC(Oc3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.654926
47891,CSOc1ccc(OCCN2CCN(c3ccc(OC4CCCCC4)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.60887474
47892,CSc1cc(OCCCF)ccc1ON1CCCC(CCc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.37096018
47893,Cc1cc(O)n(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.65257657
47894,Cc1cc(OCCN2CCC(c3cccc(C(F)(F)F)c3)CC2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6484815
47895,Cc1cc(OCCNCC2CCc3c(F)cccc3C2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.41915634
47896,Cc1cc(OCCNc2ccc(S(C)(=O)=O)cc2)ccc1OCC1CCCN1,[*]CCOc1ccc(O[*])c([*])c1,0.093927845
47897,Cc1cc(OCCOS(C)(=O)=O)ccc1ON1CCC(Cc2ccc(Br)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18582943
47898,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)N(C)C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6431956
47899,O=C(CCCN1CCN(Cc2cccc(F)c2)CC1)c1ccccn1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6413992
47900,O=C(Nc1ccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c(Cl)c1)C(F)(F)F,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34642202
47901,O=C1CCc2ccc(-c3cccc(CN4CCN(CCCOC(F)(F)F)CC4)c3)cc2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72434986
47902,O=C1c2ccccc2CC1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.699481
47903,O=C1c2ccccc2NC(CCCN2CCN(Cc3cccc(Cl)c3)CC2)N1c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59120154
47904,O=S1(=O)Cc2ccccc2N1CCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.8010323
47905,Oc1ccc2cccc(OC3CCN(CCN4CCN(c5ccccc5Cl)CC4)CC3)c2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7814559
47906,C=[SH](=O)OOc1ccc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.62679356
47907,CC(=O)Oc1cc2c(cc1F)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.577392
47908,CCCCN1CCN(Cc2cccc(-c3cc4ccccc4s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56524473
47909,CCCNOc1ccc(OCCC)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8492903
47910,CCCOc1ccc(OC(F)COc2ccccc2OC)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10020131
47911,CCCOc1ccc(OC)c(NC(=O)COc2ccccc2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0050672847
47912,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCCC(CCc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20217937
47913,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3ccc4c(c3)C(=O)C(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35622704
47914,CNC(=O)CCOc1ccc(OC)c(N2CCC(c3ccccc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16294646
47915,CNc1ccccc1C(=O)NCCc1cc(OCCOC)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.014908315
47916,COC(=O)OCc1ccc(C(=O)Nc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.24642836
47917,COCCCN1CCN(Cc2cccc(N3C(=O)Nc4ccccc4C3(C)C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5420185
47918,COCCOc1ccc(OC)c(CN2CCCC(c3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4642641
47919,COOc1ccc(OCCN2CCN(c3cccc4nc(C(C)=O)ccc34)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.7559531
47920,COc1cc2c(cc1Cc1cccc(N)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.81423575
47921,COc1cc2c(cc1Cl)CCN1Cc3c(cccc3OCc3ccc(C#N)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6534011
47922,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)NCc3ccc([N+](=O)[O-])cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38560334
47923,COc1cc2c(cc1OC)C1Cc3cccc(C[O-])c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7614953
47924,COc1cc2c(cc1OCc1ccc(CO)cc1)CCN1Cc3c(C#N)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71425647
47925,COc1ccc(OCCC(=O)OCCF)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5984196
47926,COc1ccc(OCCF)cc1CNC(=O)c1cccc([SH](C)(N)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.03286555
47927,COc1ccc(OCCN2C(=O)Cc3ccc(CC4CCC(=O)CC4)cc32)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.28571844
47928,COc1ccc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1S(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5419432
47929,COc1ccc(OCCN2CCC(c3cccc(OCCF)c3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.8030301
47930,COc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1C(=O)Nc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.010741262
47931,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.021052884
47932,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.019285005
47933,COc1ccc(OCCNCCc2ccc(F)cc2)cc1S(=O)(=O)NC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09002673
47934,COc1ccc(OCCSC)cc1CCN1CCN(c2ccc(C(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8245173
47935,COc1cccc(CN2CCN(CCCCNC(=O)C3(C)Cc4ccccc4NC3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.52939934
47936,COc1cccc2c1CN1CCc3cc(Cc4ccc(F)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6701692
47937,Cc1cc(OCCN2CCC(CCc3ccc4c(c3)NC(=O)C(=O)C4)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6140955
47938,Cc1cc(OCCN2CCC(Cc3ccc(F)cc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5753731
47939,Cc1cc(OCCNCCc2ccc3c(c2)OC(=O)CC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.17953935
47940,Cc1cn(-c2cccc(CN3CCN(CCCCl)CC3)c2)cc1-c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62217784
47941,ClC1CCN(CCN2CCN(c3ccccc3-c3cn4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.786813
47942,O=C(CCCCCN1CCN(Cc2cccc(Cl)c2)CC1)NC1CCCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59822637
47943,O=C(Cc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1)N1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.38821736
47944,O=C(Cc1ccccc1)C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8055604
47945,Oc1cc2c(cc1O)C1Cc3cccc(Cc4ccoc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70039874
47946,Oc1nc2ccccc2n1-c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6009015
47947,CC(C)c1ccccc1N1CCN(CCN2CCC(Cc3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7095402
47948,CCCCN1CCN(Cc2cccc(-c3cc(C)cc(=O)o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49636954
47949,CCCN1CCC(c2cc(OCCS(C)(=O)=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6827608
47950,CCCOc1ccc(ON2CCC(c3ccccc3)CC2)c(OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33540404
47951,CCCOc1ccc(ON2CCCC(Cc3ccc(F)cc3)C2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34378397
47952,CCCOc1ccc(ON2CCN(C(C)=O)CC2)c(CCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.086688295
47953,CCCOc1ccc(OOC)c(C=CNC(=O)c2ccccc2F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.032509677
47954,CCOc1ccccc1N1CCN(CCN2CCC(Nc3ccc(-c4ccccc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80866504
47955,CCOc1ccccc1N1CCN(CCN2CCC(c3ccc4nc(O)ccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8142098
47956,COC(=O)c1cc2c(cc1Cc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.37540147
47957,COCCCN1CCN(Cc2cccc(CO)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5980708
47958,CON1CCN(CCNC(=O)c2ccc(Cl)c(-c3cccc(Cl)c3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32552502
47959,CONCc1cc2c(cc1C)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4999253
47960,COOc1ccc(OCCS(C)(=O)=O)cc1NCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.056633182
47961,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1CO,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.24965668
47962,COc1cc2c(cc1-c1ccc(N(C)C)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78020555
47963,COc1cc2c(cc1Cc1ccc(N(C)C)cc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53989494
47964,COc1cc2c(cc1Cl)CCN1Cc3c(Cc4cccc(C#N)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5389133
47965,COc1cc2c(cc1OC)C1Cc3cccc(-c4cccc(C)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69819313
47966,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)N(C)Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4794621
47967,COc1cc2c(cc1OC)C1Cc3cccc(Oc4c(OC)cccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72164106
47968,COc1ccc(C#N)cc1-c1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7455217
47969,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccc(Cl)c(Cl)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.25482297
47970,COc1ccc(C(=O)NCCN2CCN(c3cccc(C)c3OC)CC2)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.7446648
47971,COc1ccc(OCCN2CCC(NC(=O)c3ccc(F)c(F)c3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.51241094
47972,COc1ccc(OCCNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1N(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.018433368
47973,COc1ccc2cc(CC3CC=CN(CCOc4ccc(OSC)c(C)c4)C3)ccc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.2332935
47974,COc1cccc(CN2CCN(CCCCN3CCC3c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6757393
47975,COc1cccc(CN2CCN(CCCc3oc(=O)cc4ccccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5591365
47976,COc1cccc2c1CN1CCc3cc(C=O)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.596637
47977,COc1ccccc1C1CCN(CCOc2ccc(OS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.67798513
47978,COc1ccccc1CN1CCN(CCOc2ccc(OS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.49665496
47979,COc1ccccc1COc1cccc2c1CN1CCc3cc(O)c(C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61441773
47980,COc1ccccc1N1CCN(CCN2CCC(C=Nc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7745116
47981,COc1ccccc1N1CCN(CCN2CCC(n3cnc(O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77554756
47982,CSOc1ccc(OCCCN2CCC(Cc3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6349913
47983,Cc1cc(OCCN=S(C)(=O)O)ccc1Oc1ccc(CCc2ccccc2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06228537
47984,Cc1cc(OCCNC(=O)Cc2ccccc2)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.018397681
47985,Cc1cc(OCCNCc2ccc3c(c2)NC(=O)CC3)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.105263755
47986,Cc1ccccc1N1CCN(CCNC(=O)c2ccc(S(C)(=O)=O)c(C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.6706724
47987,ClC1CCN(CCN2CCN(c3ccccc3-c3cn(Cc4ccccc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7845329
47988,Fc1ccccc1N1CCN(CCN2CCC(Oc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7198092
47989,N#Cc1ccccc1Cc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7130669
47990,O=C(CC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)c1ccccn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7420131
47991,O=C1Nc2ccccc2C2(CCC2)N1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61598283
47992,Oc1ccc2c(-c3cccc(CN4CCN(CCCCl)CC4)c3)cccc2n1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6042876
47993,CC(=O)NCCOc1ccc(ON2CC=C(c3ccccc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09741618
47994,CC(C)(C)c1ccccc1N1CCN(CCN2CCC(c3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7942441
47995,CC(C)c1ccccc1N1CCN(CCN2CCC(c3cccc(Cl)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79370743
47996,CCCOc1ccc(ON2CCC(C(=O)c3ccc(F)cc3)CC2)c(NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15310434
47997,CCCOc1ccc(OS(C)(=O)=O)c(CC2Cc3ccc(CC(=O)O)cc3CCN2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21025012
47998,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(Cc3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2518822
47999,CCc1ccccc1N1CCN(CCOc2ccc(OC)c(OC)c2)C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.38576007
48000,CNCCCc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6747971
48001,COCCOc1ccc(OC)c(CC2CCc3ccc(C(C)=O)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24232855
48002,COCCOc1ccc(OC)c(N2CCC(F)C(c3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38807073
48003,COCCOc1ccc(OC)c(N2CCN(c3ccccc3OCC(C)C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40946242
48004,COOc1ccc(OCCNCCc2ccco2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.15207404
48005,COc1cc2c(cc1Cc1ccccc1[N+](=O)O)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.680214
48006,COc1cc2c(cc1O)C1Cc3cccc(NC(=O)NCc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39215592
48007,COc1cc2c(cc1O)C1Cc3cccc(Sc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7942859
48008,COc1cc2c(cc1OCc1ccc(CO)cc1)CCN1Cc3c(C=O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62944925
48009,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1cccc(C(F)(F)F)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.28314447
48010,COc1ccc(CCOc2ccc(OC)c(NS(C)(=O)=O)c2)cn1,[*]CCOc1ccc(O[*])c([*])c1,0.074414484
48011,COc1ccc(OCCC(C)=O)cc1CN1CCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.66491467
48012,COc1ccc(OCCCN2CCC(Oc3ccc(F)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.688899
48013,COc1ccc(OCCNS(C)(=O)=O)cc1CN1CCC(C(C)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31273565
48014,COc1ccc(OCCNS(C)(=O)=O)cc1CSCc1ccc(S(C)(=O)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.0690502
48015,COc1ccc(OCCSC)cc1CNc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.096558206
48016,COc1ccc(OCCSCCc2ccc3c(c2)NC(=O)CC3)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.18743056
48017,COc1ccc(OCc2ccccc2N2CCN(CCN3CCC(C)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6653711
48018,COc1cccc(CN2CCN(CCCC3c4ccccc4NC(=O)C3C)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58168423
48019,COc1cccc(CN2CCN(CCCc3cccc4cc(O)oc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.52899855
48020,COc1cccc2c1CN1CCc3cc(CCc4cccs4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75407124
48021,COc1cccc2c1CN1CCc3cc(CNc4cccc(Cl)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55978054
48022,CSc1ccc(CS(=O)(=O)NOc2ccc(OCCNC(C)=O)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.017117549
48023,Cc1cc(OCCCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.74565685
48024,Cc1cc(OCCN2CCC(Oc3ccc4c(c3)NC(=O)C(C)C4)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.49807256
48025,Cc1cc(OCCN2CCC(c3ccccc3C)CC2)ccc1OC=[SH]O,[*]CCOc1ccc(O[*])c([*])c1,0.57006633
48026,ClCCCN1CCN(Cc2cccc(C3OCOc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6630005
48027,FC(F)(F)c1cccc(CN2CCN(CCCOc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66189176
48028,FC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80015725
48029,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)N1CCCC1c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57363427
48030,O=C(NCc1ccccc1)NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87652624
48031,O=C1c2ccccc2CCN1CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.8043249
48032,O=[N+]([O-])Oc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5936709
48033,O=c1ccccn1CCCCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69955105
48034,OC=Nc1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6135749
48035,Oc1cc2c(cc1-c1cc(F)cc(F)c1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71312267
48036,Oc1cccc2c1CN1CCc3cc(Cl)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.745312
48037,C=CCc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8315182
48038,C=Cc1ccccc1OC1CCN(CCOc2ccc(OC)c(OS(=O)(=O)C(F)(F)F)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6213922
48039,CC1CCN(CCN2CCN(c3ccccc3-c3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7571896
48040,CC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6513378
48041,CCCOc1ccc(OOC)c(N2CCN(c3ccccc3OCC)C(=O)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24135487
48042,CCCOc1ccc(OS(C)(=O)=O)c(CCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12666373
48043,CCOC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68790275
48044,CCOC1CCc2cc(CC(=O)NCCOc3ccc(OSC)c(C)c3)ccc21,[*]CCOc1ccc(O[*])c([*])c1,0.124843076
48045,CNc1ccc(Cc2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.528888
48046,COC1CCN(CCN2CCN(c3ccccc3-c3nc(-c4ccccc4)cn3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7274317
48047,COOc1ccc(OCCCCOc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.28975818
48048,COc1cc2c(cc1C)CCN1Cc3c(cccc3S(=O)(=O)c3ccc(C)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41928408
48049,COc1cc2c(cc1N1CCCOC1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60010487
48050,COc1cc2ccccc2cc1Cc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6444641
48051,COc1ccc(COc2cc3c(cc2C)CCN2Cc4c(O)cccc4CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71884316
48052,COc1ccc(OCCC(F)(F)COc2ccccc2)cc1S(=O)(=O)N(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.08006562
48053,COc1ccc(OCCCS(=O)(=O)c2cccc(F)c2)cc1OC1CCCNC1,[*]CCOc1ccc(O[*])c([*])c1,0.21602137
48054,COc1ccc(OCCN)cc1CN1CCN(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.68358517
48055,COc1ccc(OCCN=S(C)(=O)O)cc1N1C(=O)CCc2ccc(CC3CCCC3)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.16544259
48056,COc1ccc(OCCS(C)(=O)=O)cc1CNc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.07224203
48057,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(Cc2ccc(C3CCCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.208455
48058,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(Oc2ccc(C3CCCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19588855
48059,COc1cccc(CN2CCN(CCCC3Cc4ccccc4N(C)C3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.721669
48060,COc1cccc(CN2CCN(CCCc3ccc4oc(=O)c(C)cc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57026786
48061,COc1cccc2c1CN1CCc3cc(-c4c[nH]c5cccc(C)c45)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60958505
48062,COc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccc(C#N)cc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8918041
48063,COc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccc(Cl)nc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8791654
48064,CSOc1ccc(OCCN2CCC(C3CCc4ccccc4C3=O)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6117632
48065,CSc1ccccc1N1CCN(CCN2CCC(n3cccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6847157
48066,Cc1cc(OCCN2CCC(Oc3ccc(C#N)cc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.43185484
48067,Cc1cc(OCCN2CCN(CC(Sc3ccc(F)cc3)N3CCCCC3)C2=O)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.19766511
48068,Cc1cc(OCCNCc2ccc(OC3CCNC3)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.15859285
48069,Cc1cc2c(cc1O)CCN1Cc3c(Cc4ccco4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.603919
48070,Cc1cccc(C2CCN(CCOc3ccc(ON)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6628166
48071,Cc1cccc2c1CN1CCc3cc(-c4ccc5ccccc5c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57400745
48072,Cc1ccn(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7800314
48073,O=C(c1cccc(CN2CCN(CCCCl)CC2)c1)C1Cc2ccccc2-c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6408941
48074,O=C(c1cccc(CN2CCN(CCCCl)CC2)c1)N1CCSc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5585455
48075,O=C1c2ccccc2S(=O)(=O)N1Cc1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6916298
48076,O=c1cc2ccccc2c(-c2cccc(CN3CCN(CCCC(F)(F)F)CC3)c2)o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5481921
48077,Oc1cc2c(cc1-c1ccccc1Cl)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6500081
48078,Oc1cc2c(cc1O)C1Cc3cccc(OCc4cccc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7288842
48079,Oc1cccc2c1CN1CCc3cc(-c4ccccn4)c(F)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67374295
48080,Oc1ccnc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7890641
48081,CC(C)c1ccccc1N1CCN(CCN2CCC(Nc3ccc(-c4ccccn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7149
48082,CC1(CCCN2CCN(Cc3cccc(F)c3)CC2)CCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60118914
48083,CCCOc1ccc(OC)c(CNC(=O)c2cccc(C3CCCNC3)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12730686
48084,CCCOc1ccc(ONCCc2ccccc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1331997
48085,CCOC1CCN(CCN2CCN(c3ccccc3NCC3CCc4ccc(O)cc4O3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.49652386
48086,CCOc1ccccc1CNOc1ccc(OCCNS(C)(=O)=O)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.098954596
48087,COC1CCN(CCN2CCN(c3ccccc3CNc3ccc(-c4ccccc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75218403
48088,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccc(Br)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.47485465
48089,COOc1ccc(OCCCOc2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.12653066
48090,COc1cc(OC)cc(-c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.767278
48091,COc1cc2c(cc1C)C1Cc3cccc(CNC(C)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39430475
48092,COc1cc2c(cc1C)CCN1Cc3c(cccc3Oc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67272216
48093,COc1ccc(-c2cc(C(=O)NCCN3CCN(OC)CC3)ccc2O)c(OC)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26205584
48094,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCC(c2ccc(CS(C)(=O)=O)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.18609592
48095,COc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1C1CCNC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.02648483
48096,COc1ccc(OCCNC(=O)c2ccc(-c3ccccc3)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.029109303
48097,COc1ccc(OCCN[SH](C)(=O)O)cc1N1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29712656
48098,COc1ccc(OCCO)cc1CN1CCCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.724815
48099,COc1ccc(OCCSC)cc1N1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3868567
48100,COc1cccc(C(=O)c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)c1OC,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74483144
48101,COc1cccc(CN2CCN(CCCc3ccccc3F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6553906
48102,COc1cccc(S(=O)(=O)c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64973104
48103,COc1cccc2c1CN1CCc3cc(Cc4ccc(CO)c5ccccc45)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6892501
48104,COc1cccc2c1CN1CCc3cc(OC(=O)NCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43213928
48105,COc1ccccc1-c1cn(-c2ccccc2N2CCN(CCN3CCC(C)CC3)CC2)c(O)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6788036
48106,COc1ccccc1N1CCN(CCN2CCC(COc3ccc4cccc(O)c4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8063339
48107,COc1ccccc1N1CCN(CCN2CCC(c3ccn(C)c(=O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.878649
48108,COc1ccccc1OC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81820285
48109,CSc1ccc(C(=O)NCC(=O)N2CCN(COc3ccc(OCCF)cc3C)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.09744552
48110,Cc1cc(OCC=C(O)COc2ccc3c(c2)CC(=O)CC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.11999929
48111,Cc1cc(OCCNCCc2ccc3c(c2)C(=O)CC3)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.19160141
48112,Clc1cccc(CN2CCN(CCCc3cccc4occc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.71595436
48113,FC(F)(F)Oc1cccc(CN2CCN(CCCC3Cc4ccccc4N3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6018274
48114,O=C(OCc1ccccc1)c1cccc2c1CN1CCc3cc(OCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45997998
48115,O=C1c2ccccc2S(=O)(=O)N1Cc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6626895
48116,O=S(c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)c1ccccc1CO,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61885726
48117,OC(F)(F)c1ccccc1N1CCN(CCN2CCC(F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7681705
48118,OC1CCN(CCN2CCN(c3ccccc3Cc3cc4ccccn4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6514728
48119,Oc1cc2c(cc1-c1ccc[nH]1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7860469
48120,Oc1ccc2c(c1)OC(c1cccc(CN3CCN(CCCCl)CC3)c1)CC2,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.690989
48121,Oc1ccc2cccc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)c2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79560757
48122,Oc1cn(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7926121
48123,C=CCOc1cc2c(cc1C)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7114232
48124,CC(=O)NC1CCC(c2cccc(CN3CCN(CCCF)CC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5828241
48125,CC(C)(C)C(=O)Nc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.33975542
48126,CCCOc1ccc(ONC=S(C)(=O)O)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06407358
48127,CCCOc1ccc(OOC)c(N2CCCN(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29658577
48128,CCCOc1ccc(OOCCF)c(N2CCN(c3ccccc3OCCF)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.45942172
48129,CCCOc1ccc(OS(C)(=O)=O)c(CNCc2ccc(C(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06940783
48130,CCCOc1ccc(OS(C)(=O)=O)c(NCCc2ccc3ccccc3c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07401011
48131,CCCOc1ccc(OS(C)(=O)=O)c(NCCc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09415388
48132,CCOCCCN1CCN(Cc2cccc(C(=O)NC3CCCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.47203898
48133,CCOc1c(F)cccc1N1CCN(c2cc(OCCC(N)=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20272054
48134,COC1CCN(CCN2CCN(c3ccccc3-c3nccn3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7738485
48135,COC1CCN(CCN2CCN(c3ccccc3COc3cccc4ccc(O)nc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71808034
48136,COCCOc1ccc(OCC(=O)Nc2ccc(F)cc2)c(CCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0034039463
48137,COc1cc2c(cc1Cc1ccc3ccc(C#N)cc3c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63768893
48138,COc1cc2c(cc1O)C1Cc3cccc(-c4c[nH]c5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62617224
48139,COc1cc2c(cc1O)C1Cc3cccc(-c4cccc(Cc5ccccc5)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66746175
48140,COc1cc2c(cc1O)C1Cc3cccc(-c4ccccc4CO)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6475214
48141,COc1cc2c(cc1O)C1Cc3cccc(C(=O)OC(C)(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6183089
48142,COc1cc2c(cc1OC)C1Cc3cccc(-c4cc(F)cc(F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72749996
48143,COc1cc2c(cc1OCc1ccc(Cl)cc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70814335
48144,COc1ccc(OCCN2CCC(c3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.77422565
48145,COc1ccc(OCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10151601
48146,COc1ccc(OCCS(C)(=O)=O)cc1C(F)Cc1ccc(OC2CCNCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.17490013
48147,COc1ccc(OCCS(C)(=O)=O)cc1CCOc1ccc(CCF)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07191232
48148,COc1ccccc1-c1cc(C(=O)NCCN2CCN(C(C)=O)CC2)ccc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.20846982
48149,COc1ccccc1NC(=O)NC1CCN(CCN2CCN(c3ccccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4532702
48150,CSc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccc4)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8228107
48151,Cc1cc(OCCNCC2CCCO2)ccc1ONCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.12166362
48152,Cc1cc(OCCNCCc2ccc3c(c2)NC(=O)C3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.17431869
48153,Cc1cc(OCCNS(C)(=O)=O)ccc1ONCCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.09385296
48154,Cc1cc(OCCNS(C)(=O)=O)ccc1OOc1ccccc1C1CCCNC1,[*]CCOc1ccc(O[*])c([*])c1,0.17422722
48155,Cc1cc(OCCOCCc2ccccc2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.11981159
48156,Cc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7342967
48157,Cc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1ccc(Cl)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27712837
48158,ClCCCN1CCN(Cc2cccc(-c3cccc4ccsc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5912876
48159,FC(F)(F)c1ccccc1N1CCN(CCN2CCC(c3cncc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7694263
48160,FCCCN1CCN(Cc2cccc(CNc3nccc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5557562
48161,FCCOCCCN1CCN(Cc2cccc(-c3ccc(F)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6864505
48162,O=C(CCCCN1CCN(Cc2cccc(Cl)c2)CC1)c1cc2ccccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7444676
48163,O=[N+]([O-])c1ccccc1N1CCN(CCN2CCC(Nc3nccc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5563637
48164,Oc1cc2c(cc1-c1cccc(Oc3ccccc3)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6356767
48165,Oc1ccc(-c2ccnc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)c2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7863537
48166,C#CC1CCN(CCN2CCN(c3ccccc3CC3CCc4ccc(O)cc4O3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71839106
48167,C#Cc1cccc(Cc2cc3c(cc2OC)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6949866
48168,CC(=O)c1cccc(C2CCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.570921
48169,CC(C)(C)CCCN1CCN(Cc2cccc(N3C(=O)CC4(CC3=O)Cc3ccccc3C4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7231304
48170,CC1CCN(CCN2CCN(c3ccccc3-c3ccccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6866329
48171,CC=NOc1cccc(Cc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6416734
48172,CCCCc1ccc(CCOc2ccc(OC)c(S(C)(=O)=O)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06881545
48173,CCCN1CCN(Oc2ccc(OCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5292901
48174,CCCNCc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7289564
48175,CCCOC(=O)CCOc1ccc(OC)c(N2CCC(Cc3ccc(S(C)(=O)=O)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12457507
48176,CCCOc1ccc(OCC(=O)c2ccc(F)cc2)c(C(=O)Nc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.02162197
48177,CCCOc1ccc(OCN2CCN(c3ccccc3OCC)CC2)c([SH]=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.60264415
48178,CCCOc1ccc(OF)c(NC(=O)C2CCCN2CCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17328027
48179,CCCOc1ccc(ON2CCN(c3ccc(CCCF)cc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27960026
48180,CCCOc1ccc(ONCC(=O)c2ccc(F)cc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.034166757
48181,CCCOc1ccc(ONCC2COc3ccccc3C2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4128187
48182,CCCOc1ccc(OS(C)(=O)=O)c(-c2cccc(O)c2CCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08815402
48183,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)COc2ccccc2CC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.007767091
48184,CCCc1ccccc1N1CCN(Oc2ccc(OCCOC)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2866937
48185,CCNC(C)Oc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6767781
48186,COCCCN1CCN(Cc2cccc(-c3ccn(C(C)=O)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.43277052
48187,COCCCN1CCN(Cc2cccc(C(=NOC)c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57511395
48188,COCCCN1CCN(Cc2cccc(CNS(=O)(=O)c3cccc(OC)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.43524557
48189,COCCOc1ccc(OC)c(CCN2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.76182723
48190,COCCOc1ccc(OCN2CCC(CCc3ccccc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.45596388
48191,COOc1ccc(OCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.71471405
48192,COc1cc2c(cc1O)C1Cc3cccc(C(=O)OCc4ccc(CO)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5795915
48193,COc1cc2c(cc1O)C1Cc3cccc(Cc4cccc(F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7541743
48194,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cccc(OCC(F)(F)F)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49459207
48195,COc1cc2c(cc1O)CCN1Cc3c(cccc3OS(=O)(=O)c3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67384607
48196,COc1ccc(NCc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5694187
48197,COc1ccc(OCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.8511607
48198,COc1ccc(OCCCc2ccc(C(C)=O)cc2)cc1CN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.18359575
48199,COc1ccc(OCCN2CCC(Oc3cc4coc(C)cc-4c3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.56279
48200,COc1ccc(OCCN2CCCC(c3cccc(C(F)(F)F)c3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4852583
48201,COc1cccc(CN2CCN(CCCN3C(=O)c4ccccc4C3C)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5705373
48202,COc1ccccc1N1CCN(CCN2CCC(c3cccc(-c4ccccc4)c3N)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71124595
48203,COc1ccccc1N1CCN(COc2ccc(OCCc3ccccc3OCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.66354287
48204,CS(=O)(=O)NCOc1ccc(OCCF)cc1C=O,[*]CCOc1ccc(O[*])c([*])c1,0.070663884
48205,CSc1ccccc1N1CCN(CCN2CCC(Oc3ccc4nc(O)ccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69045454
48206,Cc1cc(OCCF)ccc1ONCCc1ccc2c(c1)CC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.11321725
48207,Cc1cc(OCCNC(=O)COc2ccc(C(F)(F)F)cc2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.010828065
48208,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCC(Cc2ccc(OC3CCCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.15485887
48209,Cc1cccc(CN2CCN(CCCC(=O)Nc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.2344505
48210,Cc1cccc2c1CN1CCc3cc(-c4c(C)cccc4C)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5893136
48211,CC(O)c1cc2c(cc1O)CCN1Cc3c(C#N)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73088646
48212,CCCOc1ccc(OC)c(CS(=O)(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15058711
48213,CCCOc1ccc(ONC(=O)c2ccc(F)cc2)c(CN2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6713922
48214,CCCOc1ccc(OS(C)(=O)=O)c(-c2ccc(OCC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.057687752
48215,CCCOc1ccc(OS(C)(=O)=O)c(C=CCc2ccccc2OC2CCCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21726921
48216,CCOc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3cc4ccccc4o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6933804
48217,COC(=O)Nc1cccc(Cc2cc3c(cc2Cl)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3047782
48218,COC1CCN(CCN2CCN(c3ccccc3-c3ncccc3-c3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71869427
48219,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6941507
48220,COCCCN1CCN(Cc2cccc(-c3cn(-c4ccccc4)c(=O)c4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5206363
48221,COCCOc1ccc(OC)c(CNC(=O)c2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.02983596
48222,COc1cc2c(cc1Cl)CCN1Cc3c(Cc4ccccc4[N+](=O)[O-])cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40480116
48223,COc1cc2c(cc1O)C1Cc3cccc(COCc4ccc(C=N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7241501
48224,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1cccc(OC)c1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31019634
48225,COc1ccc(C=O)c(-c2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65794057
48226,COc1ccc(CCNc2cc(OCCCOS(C)(=O)=O)ccc2OC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06333912
48227,COc1ccc(OCCCCNC(=O)c2ccccc2OC)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.041632287
48228,COc1ccc(OCCCS(=O)(=O)c2ccccc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.12548317
48229,COc1ccc(OCCN2CCC(c3ccc(F)c(F)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6425903
48230,COc1ccc(OCCN2CCC3(CC2)CC(=O)Nc2ccccc2C3=O)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.44841155
48231,COc1ccc(OCCN=S(C)(=O)O)cc1C(O)Cc1ccc2c(c1)CC(CF)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.2818609
48232,COc1ccc(OCCS(C)(=O)=O)cc1CCCc1ccc2ccccc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.118612565
48233,COc1ccc(OCCS(N)(=O)=O)cc1N1CCC(Cc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3540789
48234,COc1ccc2c(c1)OC(c1ccccc1N1CCN(CCN3CCC(Cl)CC3)CC1)CC2,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72743547
48235,COc1cccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2OC)n1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30035436
48236,COc1ccccc1-c1ccccc1N1CCN(CCN2CCC([N+](=O)[O-])CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5441277
48237,COc1ccccc1CCc1ccccc1CCOc1ccc(ON=S(=O)(O)O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06268904
48238,COc1ccccc1N1CCN(CCN2CCC(C(=O)Nc3c(OC)cccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7493186
48239,COc1ccccc1N1CCN(CCN2CCC(c3cnc4cc(Cl)ccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7995768
48240,CSOc1ccc(OCCN2CCN(Cc3cc4ccccc4s3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5667091
48241,C[N+]c1ccccc1-c1ccc(C(=O)NCCN2CCN(OC)CC2)cc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.43010288
48242,Cc1cc(C(=O)NCCN2CCN(C)CC2)ccc1S(C)(=O)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.18625435
48243,Cc1cc(OCCBr)ccc1OCNCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.13020132
48244,Cc1cc(OCCN2CCC(S(=O)(=O)c3cccc(Cl)c3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6746982
48245,Cc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc(O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6647715
48246,ClCCCN1CCN(Cc2cccc(-c3cc4ccccc4cn3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6880691
48247,ClCCCN1CCN(Cc2cccc(Nc3cccc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.45232376
48248,N#CNCc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6477475
48249,N#Cc1cccc(Cc2cc3c(cc2CO)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6109063
48250,Oc1cccc2c1CN1CCc3cc(-c4ccoc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68176943
48251,c1ccc(CCCN2CCN(Cc3cccc(Oc4ccc5ccccc5c4)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6718108
48252,CC1CCCN1c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6100982
48253,CCC(=O)Oc1cc2c(cc1O)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48313555
48254,CCCOc1ccc(OC(=O)NC)c(N2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1883316
48255,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3ccc4c(c3)C(=O)C(OC)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39162678
48256,CCON=Cc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7197134
48257,CCOc1ccccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27956662
48258,CNN1CCN(CCNC(=O)c2ccc(OC)c(-c3ccccc3)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.34695983
48259,COCCCN1CCN(Cc2cccc(C(=O)N=CC3Nc4ccccc4C(=O)N3c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.45861313
48260,COCCCN1CCN(Cc2cccc(CNC(=O)c3cccc(C)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3792039
48261,COCCOc1ccc(OC)c(CNC(=O)c2ccccc2N2CCCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.075851716
48262,COc1cc(F)ccc1C(=O)Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.38495636
48263,COc1cc2c(cc1-c1ccc(OC)c3ccccc13)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7384031
48264,COc1cc2c(cc1-c1cccc(C(F)(F)F)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67402613
48265,COc1cc2c(cc1-c1cccnc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69572467
48266,COc1cc2c(cc1O)C1Cc3cccc(Cc4cccc(C[O-])c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7056727
48267,COc1cc2c(cc1O)C1Cc3cccc(NC(=O)NCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.38090906
48268,COc1cc2c(cc1O)C1Cc3cccc(ONCc4ccc(C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5744754
48269,COc1ccc(COc2cccc3c2CN2CCc4cc(OCc5ccccc5)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64006734
48270,COc1ccc(OCCCSCc2ccc(F)cc2)cc1S(=O)(=O)NC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.059700634
48271,COc1ccc(OCCN2CCCC(CCc3ccc(F)cc3)C2)cc1N(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.45539007
48272,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(Cc2ccc(OC3CCCC(=O)N3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2761844
48273,COc1cccc(CN2CCN(CCCN3C(=O)c4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6717844
48274,COc1cccc(Cc2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7175458
48275,COc1ccccc1C(=O)c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3769221
48276,COc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8587173
48277,COc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3cccc(C#N)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8322669
48278,COc1ccccc1N1CCN(CCN2CCC(Oc3cc4ccccc4nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85817766
48279,CS(=O)(=O)Cc1cc(OCCF)ccc1OOC1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.22220762
48280,CSCCCN1CCN(Cc2cccc(N3c4ccccc4CS3(=O)=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65798616
48281,Cc1cc(OCCN2CC(Cc3ccc4ccccc4c3)CCN2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.18651035
48282,Cc1cc(OCCN2CCC(c3ccccc3C)CC2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.5785397
48283,Cc1cc(OCCN=S(C)(=O)O)ccc1ONCCc1ccc2c(c1)CCC(=O)N2,[*]CCOc1ccc(O[*])c([*])c1,0.054309167
48284,Cc1cc(OCCNS(=O)(=O)c2csc3ccccc23)ccc1ON1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.11968613
48285,FC(F)(F)Oc1ccccc1N1CCN(CCN2CCC(C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9114514
48286,O=C(c1ccc(F)cc1)C1CCN(CCN2CCN(c3ccccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7596666
48287,O=S1(=O)CN(c2cccc(CN3CCN(CCCCl)CC3)c2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6611708
48288,O=c1c(-c2cccc(CN3CCN(CCCF)CC3)c2)csc2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64274305
48289,Oc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(COCc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73433983
48290,Oc1cc2ccccc2n1-c1ccccc1N1CCN(CCN2CCC(OCCF)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7608409
48291,Oc1ccc(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84968454
48292,Oc1cccc2c1CN1CCc3cc(C=Cc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7107468
48293,C=COc1ccc(OCCC)cc1N1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3816393
48294,CC(O)c1ccccc1N1CCN(CCN2CCC(Cc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6730971
48295,CCC(=O)NCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.37347877
48296,CCCCN1CCN(Cc2cccc(C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5819462
48297,CCCNCc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7026162
48298,CCCOc1ccc(OC(=O)COc2ccc(F)cc2)c(CN(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.041877076
48299,CCCOc1ccc(ON2CCC(c3ccccc3)CC2)c(OC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17541632
48300,CCCOc1ccc(ON2CCCN(c3ccccc3OC)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31265563
48301,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCCC(Cc3ccc(C4CCCC(=O)N4)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19822729
48302,CCCOc1ccc(ONS(C)(=O)=O)c(NCCc2ccc3c(c2)CCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14210925
48303,CCCOc1ccc(OOC)c(Cc2cccc(C(C)=O)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.057744816
48304,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCC(Oc3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32853222
48305,CCCOc1ccc(OS(C)(=O)=O)c(CCCc2ccccc2OC2CCCNC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29263732
48306,CCCOc1ccc(O[SH](C)(=O)O)c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22287835
48307,CCN(Cc1ccccc1)C(=O)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64580476
48308,CCc1cccc(Cc2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74048036
48309,COC1CCN(CCN2CCN(c3ccccc3C(O)C3CCc4ccc(O)cc4O3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7196002
48310,COc1cc2c(cc1COCc1ccccc1)C1Cc3cccc(C=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62862086
48311,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccccc4C#N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7534514
48312,COc1cc2c(cc1O)CCN1Cc3c(Cc4ccc5ccccc5c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7048076
48313,COc1cc2c(cc1O)CCN1Cc3c(cccc3N=Cc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7478149
48314,COc1ccc(C#N)cc1-c1cccc2c1CN1CCc3cc(C)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60874575
48315,COc1ccc(OCCC(F)CCc2ccccc2)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.71063983
48316,COc1ccc(OCCCCCc2ccc3c(c2)CC(=O)CC3)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.19186665
48317,COc1ccc(OCCCN2CCc3ccccc3C2)cc1OC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.55730164
48318,COc1ccc(OCCCS(=O)(=O)c2ccc(F)cc2)cc1CN1CCC(C(=O)O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.34757918
48319,COc1ccc(OCCNCCc2ccc(F)cc2)cc1-c1cccc(SC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18844679
48320,COc1ccc(OCCOCC(C)C)cc1CN1CCN(c2ccccc2C(C)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5365283
48321,COc1cccc(CN2CCN(CCCCNC(=O)c3cccc4c3-c3ccccc3C4=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55190337
48322,COc1ccccc1CCCCN1CCN(Cc2cccc(S(C)(=O)=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6249938
48323,COc1ccccc1N1CCN(CCN2CCC(c3cncc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81919485
48324,CSOc1ccc(OCCNCC2C(=O)CCc3ccccc32)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.1848686
48325,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)ccc1ON=S(=O)(O)O,[*]CCOc1ccc(O[*])c([*])c1,0.58866084
48326,Cc1cc(OCCN2CCN(C)CC2)ccc1ONC(=O)Cc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.095377535
48327,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)NCCO3)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.0119504975
48328,Cc1cccc2c1CN1CCc3cc(O)c(C(=O)Nc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.25033894
48329,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)c3cccs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.701078
48330,Cc1ccccc1N1CCN(CCN2CCC(c3ccc4ncccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7186734
48331,FC(F)(F)OCCCN1CCN(Cc2cccc(CNc3ccccn3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5332069
48332,O=C1c2ccccc2C(CCCN2CCN(Cc3cccc(Cl)c3)CC2)N1c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5892955
48333,OC1CCN(CCN2CCN(c3ccccc3-c3cnc4ccccn34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67090875
48334,Oc1cc2c(cc1Cc1ccc(Oc3ccccc3)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68848413
48335,Oc1cccc2c1CN1CCc3cc(-c4ccccc4)c(F)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72514373
48336,CC(=O)NCc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47328812
48337,CC1(C)Cc2c(CCCN3CCN(Cc4cccc(Cl)c4)CC3)cccc2NC1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6096434
48338,CCCOc1ccc(OS(C)(=O)=O)c(-c2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10821043
48339,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3ccc(SC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24636875
48340,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3ccc(CC(=O)O)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16280305
48341,CCCOc1ccc(OS(C)(=O)=O)c(N2CCN(c3ccccc3Cl)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26607898
48342,CCOCCCN1CCN(Cc2cccc(C(=O)N3CCc4ccccc4C3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4309575
48343,CN(c1cccc(C(F)(F)F)c1)C1CCN(CCN2CCN(c3ccccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76562655
48344,COC1CCN(CCN2CCN(c3ccccc3OCC#Cc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8240491
48345,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4cc(O)nc-4cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8136965
48346,COCCOc1ccc(OC)c(-c2cc(F)ccc2C(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1023081
48347,COCCOc1ccc(OC)c(-c2cc(NS(C)(=O)=O)ccc2F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04604072
48348,COCCOc1ccc(OC)c(N2CCC(Nc3ccccc3F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25100648
48349,COOc1ccc(OCCNC(=O)c2ccc(F)c(SC)c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.02582099
48350,COc1ccc(-c2cc3c(cc2OC)C2Cc4cccc(-c5cccc(C#N)c5)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60750926
48351,COc1ccc(C(=O)NCCN2CCN(O)CC2)cc1-c1cccnc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27796692
48352,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1ccc([N+](=O)[O-])cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.17016464
48353,COc1ccc(C(=O)NCCN2CCN(c3ccccc3C#N)CC2)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.7539046
48354,COc1ccc(OCCCc2ccc(S(C)(=O)=O)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.069122076
48355,COc1ccc(OCCN2CCC(c3ccc(OC4CCCCC4=O)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.52672786
48356,COc1ccc(OCCN=S(C)(=O)O)cc1CCc1ccccc1OC1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.15148495
48357,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1CN1CCN(C=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.0979774
48358,COc1ccc(OCCNCC2CCN(c3ccccc3OC)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.28193533
48359,COc1cccc(CN2CCN(CCCCn3ccn(-c4ccccc4)c3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5402166
48360,COc1cccc(N=Cc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76531136
48361,COc1cccc(NCc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5835494
48362,COc1ccccc1N1CCN(CCN2CCC(c3cccc(NC(C)=O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.63708377
48363,Cc1cc(OCCCCOc2ccc(F)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.09097933
48364,Cc1cc(OCCN2CCC(Cc3ccc4ccccc4c3)CC2)ccc1OCS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.55554515
48365,Cc1cc(OCCNC(=O)CCc2ccccc2)ccc1ON1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.053552415
48366,ClC1CCN(CCN2CCN(c3ccccc3Cc3cnco3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64488864
48367,ClCCCN1CCN(Cc2cccc(C3c4ccccc4-c4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7018352
48368,ClCCCN1CCN(Cc2cccc(Sc3ccccn3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7153201
48369,Clc1cccc(CN2CCN(CCCc3cccc(-c4ccco4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.575999
48370,O=C(C=Cc1ccccc1)NCc1cccc(CN2CCN(CCCOc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5958922
48371,O=C(NCc1cccc(CN2CCN(CCCF)CC2)c1)Nc1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.31810495
48372,O=S(=O)(NCCCN1CCN(Cc2cccc(Cl)c2)CC1)c1cccs1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54076284
48373,O=[N+]([O-])CCCN1CCN(Cc2cccc(-c3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5435771
48374,O=c1ccc(Cl)c(-c2cccc(CN3CCN(CCCCl)CC3)c2)s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6444614
48375,Oc1cc(-c2c[nH]c3ccccc23)c(O)n1C1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7773983
48376,CC1c2ccccc2N(c2cccc(CN3CCN(CCCCl)CC3)c2)S1(=O)=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59774214
48377,CCC(O)c1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7257938
48378,CCCOc1ccc(OC(C)=O)c(N2CCC(c3cccc(S(C)(=O)=O)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17635448
48379,CCCOc1ccc(ON2CCC(c3cn(CCCF)nn3)CC2)c([N+](=O)[O-])c1,[*]CCOc1ccc(O[*])c([*])c1,0.25434744
48380,CCCOc1ccc(ON2CCN(c3ccccc3OCC)CC2)c([N+](=O)[O-])c1,[*]CCOc1ccc(O[*])c([*])c1,0.20942691
48381,CCCOc1ccc(ONC(=O)COc2ccccc2C)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.014470645
48382,CCCOc1ccc(OOC)c(N2CCC(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25987434
48383,CCCOc1ccc(OSC)c(NC(C)c2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12411059
48384,CCCc1ccc(CCOc2ccc(OOC)c(CCN3CCN(c4ccccc4OC)CC3)c2)cn1,[*]CCOc1ccc(O[*])c([*])c1,0.73952365
48385,CCN(Cc1ccccc1)C(=O)C1CCN(CCN2CCN(c3ccccc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6627501
48386,CCOc1ccccc1N1CCN(CCN2CCC(c3ccc(C(F)(F)F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74337226
48387,COC(=O)NCc1cccc(-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45929316
48388,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(F)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8006354
48389,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccc(-c4ccccc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4783186
48390,COCCOc1ccc(OC)c(NC(=O)COc2ccc(C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.006781002
48391,COc1ccc(COc2cc3c(cc2OC)C2Cc4cccc(N)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71616644
48392,COc1ccc(OCCN2CCC(NC(=O)c3ccc(F)c(F)c3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.43911514
48393,COc1ccc(OCCN2CCCC(CCc3ccc4c(c3)NC(=O)CC4C)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.37610006
48394,COc1ccc(OCCN=S(C)(=O)O)cc1C1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.13506883
48395,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(Oc2ccc(CC3CCCNC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.26582453
48396,COc1ccc(OCCOS(C)(=O)=O)cc1CN1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5495027
48397,COc1ccc(OCCS(C)(=O)=NO)cc1OC1CCCNC1,[*]CCOc1ccc(O[*])c([*])c1,0.12819372
48398,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(Cc2ccc(C(C)=O)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.13690823
48399,COc1cccc(CN2CCN(CCCN3c4ccccc4CCC3C)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72579294
48400,COc1cccc2c1CN1CCc3cc(-c4cccc(Oc5ccccc5)c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49771008
48401,COc1cccc2c1CN1CCc3cc(C)c(C#N)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77746314
48402,COc1cccc2c1CN1CCc3cc(C=Cc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6834179
48403,COc1cccc2c1CN1CCc3cc(CO)c(-c4c(O)cccc4OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7379561
48404,COc1cccc2c1CN1CCc3cc(OCCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6791153
48405,COc1ccccc1C1CCN(CCOc2ccc(ONCCO)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5287689
48406,COc1ccccc1N1CCN(CCN2CCC(c3cc4ccc(O)cc4nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79299724
48407,COc1ccccc1N1CCN(CCN2CCC(n3c(=O)[nH]c4ccccc4c3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8275006
48408,CSOc1ccc(OCCN2CCC(Cc3ccc(S(C)(=O)=O)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.49780563
48409,Cc1cc(OCCN2CCCC(CCc3ccc4c(c3)NC(=O)CC4)C2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.41930017
48410,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(c2cccc(CO)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20035988
48411,Cc1cccc(CN2CCN(CCCCNC(=O)c3cccs3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6134119
48412,ClCCCN1CCN(Cc2cccc(Cc3cc4ccccc4s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6468639
48413,FCCCN1CCN(Cc2cccc(-c3ccc(-c4ccccc4)cn3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6618872
48414,OC(c1ccccc1)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7922915
48415,Oc1cc2c(cc1Oc1ccncc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6541053
48416,C=CNc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56748724
48417,CC(=O)c1ccc2c(c1)CC(CNOc1ccc(OCCN=S(C)(=O)O)cc1C)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.16719493
48418,CCCOc1ccc(ONS(C)(=O)=O)c(N2C(=O)CCc3cc(CC4CCCC4)ccc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15298274
48419,CCCOc1ccc(OOC)c(CCNC(=O)c2cccc(N3CCN(C)CC3)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26227477
48420,CCc1cccc2c1CN1CCc3cc(CO)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6999597
48421,CNC(=O)Oc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4707092
48422,COC(=O)CCCN1CCN(Cc2cccc(-c3ccccc3OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.39306876
48423,COC1CCN(CCN2CCN(c3ccccc3-c3cc4cc(F)ccc4nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7429869
48424,COC1CCN(CCN2CCN(c3ccccc3C3CC3c3cc(Br)ccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80141956
48425,COC1CCN(CCN2CCN(c3ccccc3Cc3ncc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7482628
48426,COCCOc1ccc(OC)c(CN2CCCN(c3ccccc3OCCF)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.79278755
48427,COc1cc2c(cc1-c1ncccc1C#N)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65556026
48428,COc1cc2c(cc1OCc1ccc3ccccc3c1)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6550339
48429,COc1ccc(OCCC(=O)COc2ccc(F)cc2)cc1NCC(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.025697164
48430,COc1ccc(OCCN2CCCC(Cc3ccccc3)C2)cc1C(C)N=O,[*]CCOc1ccc(O[*])c([*])c1,0.3439192
48431,COc1ccc(OCCN2CCN(c3ccccc3OC)C(=O)C2)cc1NC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.22348781
48432,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(C2CCC(=O)CC2)=CC=C2C=CC(CC1)CO2,[*]CCOc1ccc(O[*])c([*])c1,0.17723776
48433,COc1ccc(OCCOCCc2ccc3c(c2)NC(=O)CC3)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.21468209
48434,COc1ccc(OCCS(C)(=O)=O)cc1C(C)Cc1ccc2c(c1)OCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.20328075
48435,COc1ccc(OCCS(C)(=O)=O)cc1CCCc1ccc2c(c1)OC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.23688173
48436,COc1cccc(CN2CCN(CCCN3CCSc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7252609
48437,COc1cccc(COc2cccc3c2CN2CCc4cc(OC)c(C)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60878617
48438,COc1ccccc1N1CCN(CCN2CCC(N=C(O)OCc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8316445
48439,COc1ccccc1N1CCN(CCN2CCC(c3cnn(-c4ccc(F)cc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7877335
48440,COc1ccccc1N1CCN(Oc2ccc(OCCNCc3ccccc3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.38480037
48441,Cc1cc(OCCN2CCC(Oc3ccc(CC4CCCCC4)cc3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3955204
48442,Cc1cc(OCCN2CCC(Oc3ccc(Cl)cc3)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.49422148
48443,Cc1cc(OCCN2CCCC(Cc3ccc(OC4CCC(=O)NC4)cc3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.38813332
48444,Cc1cc(OCCN=S(C)(=O)O)ccc1ONC1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.08367081
48445,Cc1cc(OCCNC(=O)c2ccc(F)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.01734381
48446,Cc1cc(OCCNCC2CCc3ccc(S(C)(=O)=O)cc3C2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16039333
48447,Cc1cc(OCCNS(=O)(=O)Cc2ccccc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09016648
48448,Cc1cccc(CN2CCN(CCCCNc3ccccn3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64746165
48449,O=C(NCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)Nc1c(Cl)cccc1Cl,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47123548
48450,O=C(Nc1ccccc1)NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6459682
48451,O=C(c1ccc(O)nn1)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7387927
48452,O=C1C=C[SH](=O)(CCCN2CCN(Cc3cccc(F)c3)CC2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6102855
48453,Oc1cc2c(cc1Cl)CCN1Cc3c(CCc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77749705
48454,Oc1ccc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77604896
48455,Oc1ccc2cc(-c3cc4c(cc3O)C3Cc5cccc(O)c5CN3CC4)ccc2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68039507
48456,Oc1nc2cccc(CCCCN3CCN(Cc4cccc(Cl)c4)CC3)c2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6973589
48457,CCCCOc1ccc(OOC)c(N2CCC(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2933591
48458,CCCCc1ccc(CCOc2ccc(OC)c(N=S(C)(=O)O)c2)cn1,[*]CCOc1ccc(O[*])c([*])c1,0.057575237
48459,CCCOc1ccc(ONCCc2ccno2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.057288907
48460,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(CCc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22765191
48461,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(Cc3ccc(C(C)=O)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11054672
48462,CCCOc1ccc(OSC)c(NC2CCC(O)(c3ccc(Cl)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21639831
48463,CCNC(=O)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44044754
48464,CCOc1ccccc1N1CCN(CCN2CCC(NC(=O)Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7291878
48465,CN(C)c1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63869756
48466,CNOc1ccc(OCCNCCc2ccc3c(c2)CCC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.21014446
48467,COC1CCN(CCN2CCN(c3ccccc3-c3c[nH]c4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8271149
48468,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4cccc(O)n4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77985644
48469,COCCCN1CCN(Cc2cccc(CNC(=O)C3CCCCCC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4461121
48470,COCc1cc2c(cc1O)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6290034
48471,COCc1cccc2c1CN1CCc3cc(Cc4ccccc4)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76190895
48472,COOc1ccc(OCCN2CCCC(Cc3ccc4ccccc4c3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.43836084
48473,COOc1ccc(OCCN2CCN(Cc3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.49226516
48474,COc1cc2c(cc1C(=O)Nc1ccc(C)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.28483406
48475,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)OCc3ccc(Br)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5090342
48476,COc1cc2c(cc1O)CCN1Cc3c(cccc3NC(=O)NCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.2893436
48477,COc1ccc(OCCN=S(C)(=O)O)cc1C(F)Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.067812376
48478,COc1ccc(OCCN=S(C)(=O)O)cc1NC(=O)Cc1ccc(Cl)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.009749524
48479,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1CN1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19696167
48480,COc1ccc(OCCNC(=O)c2cccc(C)c2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.017005311
48481,COc1cccc(CN2CCN(CCCc3cccc4c3CCC(=O)N4)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54387045
48482,COc1cccc2c1CN1CCc3cc(CF)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76880145
48483,COc1cccc2c1CN1CCc3cc(CNC(=O)Cc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.29339996
48484,COc1ccccc1N1CCN(CCN2CCC(Cc3cc4ccccc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8592796
48485,COc1ccccc1N1CCN(CCN2CCC(c3ccc(F)nc3-c3ccc(O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6960928
48486,CSc1ccccc1N1CCN(CCN2CCC(c3ccc(Cl)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75374687
48487,Cc1cc(OCCC(=O)CCc2ccc3c(c2)CC(=O)CC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08538534
48488,Cc1cc(OCCC(=O)COc2ccc(C(C)C)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.015873699
48489,Cc1cc(OCCF)ccc1ONCCc1ccc(S(C)(=O)=O)s1,[*]CCOc1ccc(O[*])c([*])c1,0.0422118
48490,Cc1cc(OCCNS(=O)(=O)c2cccc(F)c2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.075934045
48491,Cc1cc(OCCNS(C)(=O)=O)ccc1ONC(=O)CCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.044102605
48492,Cc1cc(OCCOS(C)(=O)=O)ccc1ON1CCC(CCc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.285625
48493,Cc1ccc2c(CNCCOc3ccc(ON=S(C)(=O)O)c(C)c3)cccc2n1,[*]CCOc1ccc(O[*])c([*])c1,0.09091403
48494,Cc1cccc(-c2ccccc2N2CCN(CCN3CCC(C)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75362015
48495,Fc1ccc(SCCCCN2CCN(Cc3cccc(Cl)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.678718
48496,O=C(NCCCCN1CCN(Cc2cccc(F)c2)CC1)c1cccs1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62849766
48497,O=C(NCc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1)c1cc2ccccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5883492
48498,O=C(NCc1ccccc1N1CCN(CCN2CCC(O)CC2)CC1)c1cc2ccccn2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6445973
48499,OCc1cc2c(cc1O)CCN1Cc3c(C=NOCc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63878655
48500,Oc1nc2ccc(Cl)cc2n1C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79014057
48501,CC(O)c1ccccc1N1CCN(CCN2CCC(Oc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6785241
48502,CCCCN1CCN(Cc2cccc(CNS(=O)(=O)c3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.42415008
48503,CCCCN1CCN(Cc2cccc(NC(=O)c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.2876532
48504,CCCOc1ccc(ON)c(N2CCN(c3ccccc3OC(C)C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.42175797
48505,CCCOc1ccc(ON2CCN(c3ccccc3OCC)CC2)c(N=S(C)(=O)O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23086278
48506,CCCOc1ccc(ON=S(C)(=O)O)c(CN2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6492091
48507,CCCOc1ccc(OOC)c(N2CCC(CCc3ccc(F)cc3)C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31040922
48508,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3ccc(Cl)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29462492
48509,CCCc1ccc(C(=O)Nc2cc(OCCSC)ccc2OC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.02071626
48510,CCc1ccccc1S(=O)(=O)CNCCOc1ccc(OSC)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.098036975
48511,CNC1CCc2ccc(OCC(=O)OCCOc3ccc(ONS(C)(=O)=O)c(C)c3)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.25230616
48512,COC1CCN(CCN2CCN(c3ccccc3CCc3ccc(C#N)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7373656
48513,COC1CCN(CCN2CCN(c3ccccc3S(=O)(=O)c3ccccc3C#N)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7228492
48514,COCCCN1CCN(Cc2cccc(COc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5454394
48515,COCCCN1CCN(Cc2cccc(Cc3ccco3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5258209
48516,CON1CCN(CCNC(=O)c2ccc(O)c(-c3ccccc3SC)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.40722883
48517,COc1cc2c(cc1-c1cccc(C#N)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67965144
48518,COc1cc2c(cc1O)C1Cc3cccc(Cc4cccc(NC(=O)c5ccccc5)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.31780955
48519,COc1cc2c(cc1O)CCN1Cc3c(Cc4cccc5ccc(C#N)cc45)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7296913
48520,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)Nc4cccc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.2883178
48521,COc1cc2c(cc1OC)C1Cc3cccc(OC(=O)Nc4c(CO)ccc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39439148
48522,COc1cc2c(cc1OCc1cccc(CO)c1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5828565
48523,COc1ccc(CC(C)Oc2ccc(OCCN=S(C)(=O)O)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.04259627
48524,COc1ccc(OCCN2CCC(Oc3ccc(C)cc3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.37947664
48525,COc1ccc(OCCNS(=O)(=O)c2ccccc2C(C)C)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08524226
48526,COc1ccc(OCCS(=O)(=O)N=S(C)(=O)O)cc1N1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.19093977
48527,COc1cccc(C(=O)NC2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7005699
48528,COc1ccccc1N1CCN(CCN2CCC(n3c(O)nc4c(-c5ccccc5)cccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7865494
48529,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCCCC1Cc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.14075729
48530,Cc1cc(OCCNC(=O)Cc2ccc(F)cc2)ccc1ONS(=O)(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.020822406
48531,Cc1cc(OCCNC(=O)Cc2cccnc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.015182338
48532,Cc1cc(OCCNC(=O)c2ccc(CCF)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.036856286
48533,Cc1cc(OCCNCC2CCC(=O)OC2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08176147
48534,Cc1cc(OCCNCCc2ccsc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.15277684
48535,Cc1cc2c(cc1Oc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64099807
48536,Clc1ccccc1N1CCN(CCN2CCC(c3nc4ccccc4[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.86161715
48537,O=C(NC=Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)c1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4579006
48538,O=C(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1ccc2ccccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4573732
48539,O=C(OCCc1ccccc1)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5616191
48540,O=C1C=C2C=CC=C2C=CS(=O)(=O)N1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59703416
48541,OC1CCN(CCN2CCN(c3ccccc3-c3ccc(OC(F)(F)F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70449674
48542,OCc1ccc(-c2cc3c(cc2F)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7419375
48543,Oc1cccc2c1CN1CCc3cc(NC=NOCc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5688229
48544,C=S(=O)(O)c1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7214682
48545,CCCOc1ccc(OC(F)COc2ccccc2NC)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07739881
48546,CCCOc1ccc(OC)c(N2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.41306034
48547,CCCOc1ccc(OC)c(NC(=O)c2cc3ccccc3o2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.02574092
48548,CCCOc1ccc(OCN2CCN(Cc3ccccc3OC)CC2)c(CNC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38546672
48549,CCCOc1ccc(OCN2CCN(c3ccc(F)cc3OC)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6204925
48550,CCCOc1ccc(OCNS(C)(=O)=O)c(CCOc2ccc(CCC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.078180514
48551,CCCOc1ccc(ON2CCC(C(=O)c3ccccc3OCC)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18174225
48552,CCCOc1ccc(ON2CCN(c3cc(NC(C)=O)ccc3F)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12970264
48553,CCCOc1ccc(ONC(=O)c2ccccc2)c(N2CCC(Nc3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14164093
48554,CCCOc1ccc(OS(=O)(=O)O)c(NCc2ccc3c(c2)CCC(=O)N3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11000337
48555,CCCOc1ccc(OS(C)(=O)=O)c(NCC2C(=O)CCc3ccc(CC(C)=O)cc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19102941
48556,CCCOc1ccc(OS(C)(=O)=O)c(NCC2CCc3cc(F)c(OC)cc3C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31608257
48557,CCCOc1ccc(O[SH](C)(N)=O)c(NCCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0891039
48558,CNCCOc1ccc(OC)c(CN2CCN(CCCF)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.45602244
48559,COC(=O)NCc1ccc(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44981235
48560,COC1CCN(CCN2CCN(c3ccccc3-c3cc(F)ccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.776503
48561,COOc1ccc(OCCc2ccc(OCCF)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.08336516
48562,COc1cc2c(cc1N(C)Cc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6723553
48563,COc1ccc(OCCC(C)=O)cc1NC(=O)CCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.006874964
48564,COc1ccc(OCCN2CCC(C(=O)c3ccc(F)c(Cl)c3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.42840537
48565,COc1ccc(OCCN2CCCC(Cc3ccc(F)cc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4397773
48566,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1N1CCNC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.06171196
48567,COc1ccc(OCCNCCc2ccc3c(c2)CC(=O)CC3)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.22753996
48568,COc1ccc(OCC[SH](C)(=O)O)cc1CCC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.28919148
48569,COc1ccc2nn(C3CCN(CCN4CCN(c5ccccc5OC)CC4)CC3)cc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8818655
48570,COc1cccc(-c2ccccc2N2CCN(CCN3CCC(C)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80110794
48571,COc1cccc(CN2CCN(CCCCc3cccs3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7018469
48572,COc1cccc(CN2CCN(CCCOc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65651536
48573,COc1ccccc1C1CCN(CCOc2ccc(OSC)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.66450244
48574,CSOc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCC4)SC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5262873
48575,Cc1cc(OCCCS(C)(=O)=O)ccc1ON1CCC(Cc2ccc3ccccc3c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21533191
48576,Cc1cc(OCCN2CCC(Cc3ccc4ccccc4cc3=O)C2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.38511723
48577,Cc1cc(OCCN2CCN(c3ccccc3F)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5854097
48578,Cc1cc(OCCNC(=O)CCc2ccccc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.030651495
48579,Cc1cc(OCCNS(=O)(=O)c2ccccc2C(C)C)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.079702295
48580,Cc1cc(OCCNS(C)(=O)=O)ccc1OC(=O)Cc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.095327765
48581,Cc1cc(OCCNS(C)(=O)=O)ccc1ONS(=O)(=O)c1ccc(C2CCNCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.13972755
48582,OC1CCN(CCN2CCN(c3ccccc3-c3ccc(C(F)(F)F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6484586
48583,Oc1cc2c(cc1C1=CC=CC=CO1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5777243
48584,Oc1ccc2c(OC3CCN(CCN4CCN(c5ccccc5Cl)CC4)CC3)cccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8190789
48585,CC(C)c1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6891933
48586,CCCOc1ccc(OCCOc2ccccc2CCCF)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20731735
48587,CCCOc1ccc(ONS(C)(=O)=O)c(NCCC2CCc3ccccc3C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22739726
48588,CCCOc1ccc(OS(N)(=O)=O)c(CCOc2ccc3c(c2)NC(=O)CCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30826473
48589,CCCOc1ccc(OSC)c(OCCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1284518
48590,CCOc1ccc(-c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.648113
48591,COC1CCN(CCN2CCN(c3ccccc3-c3cc(-c4ccccc4)ccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80217963
48592,COCC1CCCc2ccc(CCOCc3cc(OCCN=S(C)(=O)O)ccc3OC)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.30241618
48593,COCCOc1ccc(OC)c(N2CCN(c3ccc(CCF)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36483347
48594,CON1CCN(CCNC(=O)c2ccc(N)c(-c3ccccc3C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32791525
48595,COOc1ccc(OCCC(=O)CCc2ccc3c(c2)CC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.10001661
48596,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(NC(=O)c5ccccc5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32979444
48597,COc1cc2c(cc1OC)C1Cc3cccc(SC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8101365
48598,COc1cc2c(cc1Oc1ccc(C)cc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70446455
48599,COc1ccc(C(=O)NCCN2CCN(O)CC2)cc1-c1ccc(C)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.12595198
48600,COc1ccc(C(=O)NCCN2CCN(c3ccc4ccccc4c3)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.7594513
48601,COc1ccc(OCCF)cc1N1CCC(S(=O)(=O)c2ccccc2C=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.30733773
48602,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCC(Cc2cccc3c2NC(=O)CCC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.26053765
48603,COc1ccc(OCCNCc2cccs2)cc1SS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.15799771
48604,COc1ccc(OCCNS(C)(=O)=O)cc1C(O)CCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.16518643
48605,COc1ccc(OCCS(C)(=O)=NO)cc1CCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.21562353
48606,COc1ccc(OCCS(C)(=O)=O)cc1N1CC2CCCC1CCC2,[*]CCOc1ccc(O[*])c([*])c1,0.16606757
48607,COc1ccc(OCCSC)cc1N1CCCC(CCc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.29782265
48608,COc1cccc(CN2CCN(CCCC3COc4ccccc4N3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61504215
48609,COc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3cnc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8400612
48610,COc1ccccc1N1CCN(CCN2CCC(c3cnc4ccccn34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77913046
48611,COc1ccccc1N1CCN(CCN2CCC(n3ccc(Cl)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7945185
48612,COc1ccccc1N1CCN(CCN2CCC(n3cnc4c(F)cccc4c3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73506707
48613,CSc1cccc(CN2CCN(CCCCc3cc4ccccc4s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72593725
48614,CSc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(C)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5861907
48615,Cc1cc(OCCNCC2CCc3ccccc3O2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.22402334
48616,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(Cc2ccc(OC3CCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.16076234
48617,Cc1cc2c(cc1C(=O)NC1CCC1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36863464
48618,Cc1ccccc1N1CCN(CCN2CCC(Nc3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6723108
48619,O=C(NCc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1cc2ccccc2cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6968925
48620,O=C1CN(c2ccccc2)C(=O)N1c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.73303014
48621,O=C1c2ccccc2CCN1CCCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.79585105
48622,O=C1c2ccccc2NC(Cc2cccc(CN3CCN(CCCCl)CC3)c2)N1c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61591977
48623,O=S(=O)(NCCCCN1CCN(Cc2cccc(F)c2)CC1)c1cccc(F)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56782776
48624,Oc1cccc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7607143
48625,Oc1cccc2c1CN1CCc3cc(Cc4ccc(N5CCNCC5)cc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6028766
48626,CC(=O)c1ccc(C2CCN(Oc3ccc(OCCN=S(C)(=O)O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.1126129
48627,CCCC1CCN(CCN2CCN(c3ccccc3-n3c(O)cc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74467015
48628,CCCOc1ccc(OC(N)=O)c(N2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1880187
48629,CCCOc1ccc(OCC(=O)Nc2ccc(F)cc2)c(NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.005265487
48630,CCCOc1ccc(OCC2CCc3ccccc3C2)c(NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.48806262
48631,CCCOc1ccc(ON2CCC(C(=O)c3ccc(F)nc3)CC2)c(N=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17536025
48632,CCCOc1ccc(ON2CCN(C=O)CC2)c(Cc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21723486
48633,CCCOc1ccc(ON2CCN(c3ccc(C)cc3)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1931197
48634,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(Oc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2247464
48635,CCCOc1ccc(OS(N)(=O)=O)c(-c2ccc(OCC(F)(F)F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08129233
48636,CCCc1cc(CC2CCN(CCOc3ccc(OC)c(NS(C)(=O)=O)c3)CC2)ccc1OC1CCCC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.49474972
48637,CCOc1ccccc1N1CCN(CCN2CCC(n3cc(C(F)(F)F)ccc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82838976
48638,CN(C)c1cccc(Cc2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71628165
48639,COCCOc1ccc(OC)c(CN2CCN(C(=O)c3ccc(SC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07785304
48640,COCc1ccc(COc2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7177603
48641,COOc1ccc(OCCCOc2ccc(F)cc2)cc1CCN1CCC(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6299927
48642,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1cccc(N)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2815471
48643,COc1cc2c(cc1C)CCN1Cc3c(CNc4cccc(CO)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44515336
48644,COc1cc2c(cc1NC(=O)c1ccc3ccccc3c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3315097
48645,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccccc4Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72791916
48646,COc1ccc(OCCC(C)Cc2ccccc2)cc1CN=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.06924276
48647,COc1ccc(OCCCOc2ccc(F)cc2)cc1N=CN1CCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.24753338
48648,COc1ccc(OCCN2CCC(c3cccc(SC)c3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.7442333
48649,COc1ccc(OCCN2CCCC(Oc3ccc4c(c3)NC(=O)CC4)C2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.66208756
48650,COc1ccc(OCCN2CCCC(c3ccc(OC4CCCCC4)cc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.413152
48651,COc1ccc(OCCNC(C)=O)cc1N1CCC(C(=O)c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19490644
48652,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Oc2ccc(Br)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.28283575
48653,COc1ccc2c(c1)CCCC2c1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8163508
48654,COc1ccc2ccc(CC3CCN(CCOc4ccc(OS(N)(=O)=O)c(C)c4)CC3)cc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.47976327
48655,Cc1cc(OCCNC(=O)c2ccc(F)cc2)ccc1ON1CCN(C=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.09396999
48656,Cc1cc(OCCNS(=O)(=O)c2ccc(F)cc2)ccc1ONC1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3445122
48657,Cc1cc(OCCSCCCc2ccc3c(c2)NC(=O)CC3)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.18488017
48658,Cc1cccc2c1N(c1cccc(CN3CCN(CCCCl)CC3)c1)C(=O)CC2,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.72817755
48659,Cc1ccccc1N1CCN(CCN2CCC(c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70766705
48660,O=C1C=C(c2ccccc2)CN1c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69406474
48661,O=C1Cc2ccccc2N1CCCN1CCN(Cc2cccc(O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7275898
48662,O=C1Nc2ccccc2CC1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6441333
48663,OCC1CCN(CCN2CCN(c3ccccc3Oc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8251349
48664,Oc1cccc2c1CN1CCc3cc(-c4cccnn4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6031637
48665,CC1CCN(CCN2CCN(c3ccccc3-c3cncc(-c4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6972991
48666,CC=S(=O)(O)Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5025187
48667,CCCOc1ccc(OCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5844413
48668,CCCOc1ccc(ON2CCC(c3cc(C)on3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28445736
48669,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)CCc2ccc3c(c2)NCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.060319353
48670,CCOc1ccccc1N1CCN(CCN2CCC(c3cn(C)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83448225
48671,CCOc1ccccc1N1CCN(c2cc(OCCOC)ccc2OCF)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.32222015
48672,CN(C)C(=O)c1cccc2c1CN1CCc3cc(O)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.591987
48673,CNC(=O)Oc1ccc(OCCNCc2ccccc2OC)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.09354902
48674,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccc(F)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.47499195
48675,COCCCN1CCN(Cc2cccc(NC(=O)c3cccc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.34703156
48676,COCCOc1ccc(OF)c(CN2CCCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.71473104
48677,COOc1ccc(OCCN2CCC(Cc3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5705618
48678,COc1cc2c(cc1-c1c(C)cccc1O)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6613925
48679,COc1cc2c(cc1C=O)CCN1Cc3c(cccc3-c3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6935742
48680,COc1cc2c(cc1CO)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6577478
48681,COc1cc2c(cc1CO)CCN1Cc3c(cccc3-c3cccc(C#N)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6132014
48682,COc1cc2c(cc1O)C1Cc3cccc(Cc4c(O)cccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.83149093
48683,COc1cc2c(cc1OC)C1Cc3cccc(Cc4cccc(CN(C)C)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6988603
48684,COc1cc2c(cc1OS(C)(=O)=O)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7018742
48685,COc1ccc(C(=O)NCCN2CCN(F)CC2)cc1-c1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.36091486
48686,COc1ccc(OCCC(N)=O)cc1CN1CCC(Oc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3733844
48687,COc1ccc(OCCCN=O)cc1N1CCN(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19799365
48688,COc1ccc(OCCCNC(=O)c2cc3ccccc3o2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.055177134
48689,COc1ccc(OCCCNS(=O)(=O)c2cccc(Cl)c2)cc1C1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.20162372
48690,COc1ccc(OCCCc2cccs2)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08487893
48691,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)CCC(=O)N4)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.49756774
48692,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(CC(=O)c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21357833
48693,COc1cccc(CN2CCN(CCCCc3cc4ccc(cno3)=CC=CC=4)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57249546
48694,COc1ccccc1N1CCN(CCN2CCC(c3cccc(-c4cccc(F)c4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.88351053
48695,Cc1cc(OCCC(=O)CCc2ccc3c(c2)CCNC3)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.117790125
48696,Cc1cc(OCCCCCc2ccccc2)ccc1ON1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.35764384
48697,Cc1cc(OCCCOc2ccc(F)cc2)ccc1OC(=O)NC=O,[*]CCOc1ccc(O[*])c([*])c1,0.058620483
48698,Cc1cc(OCCN2CCC(Oc3ccc4c(c3)NC(=O)CC4)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6055899
48699,Cc1cc(OCCNS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.036359377
48700,Cc1cc2c(cc1O)C1Cc3cccc(S(C)(=O)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5458003
48701,ClC1CCN(CCN2CCN(c3ccccc3COc3ccc(-c4cn5ccccc5n4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6959236
48702,Clc1cccc(CN2CCN(CCCC3(c4ccccc4)CC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7951713
48703,O=C(NC1CCN(CCN2CCN(c3ccccc3-c3ccccc3)CC2)CC1)c1ccc2ccccc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85138685
48704,O=S1(=O)c2ccccc2N1c1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6518987
48705,O=c1oc2ccccc2cc1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.73251325
48706,C#Cc1cc2c(cc1OC)C1Cc3cccc(OCC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71711326
48707,CC(=O)c1ccc(C(=O)NC2CCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.49015108
48708,CCCOc1ccc(OC)c(C(=O)Nc2cc(S(C)(=O)=O)ccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.059952933
48709,CCCOc1ccc(OS(C)(=O)=O)c(NCCc2coc3cc(F)ccc23)c1,[*]CCOc1ccc(O[*])c([*])c1,0.058603257
48710,CCCOc1ccc(OS(C)(=O)=O)c(OC2CCCc3ccc(CC(C)=O)cc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27019706
48711,CCCOc1ccc(OSC)c(N2CCC(Nc3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31050247
48712,CCCOc1ccc(OSC)c(N2CCN(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.292242
48713,CN=Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7111255
48714,CNCCOc1ccc(OC)c(N2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29619858
48715,COC(=O)OCc1ccc(COc2cc3c(cc2OC)CCN2Cc4c(C)cccc4CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3136496
48716,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccc4c(c3)C(=O)CCC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.63147736
48717,COCCCN1CCN(Cc2cccc(-c3ccc4cc(C(N)=O)sc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.38929698
48718,COCCOc1ccc(OC)c(NC(=O)c2ccccc2N2CCCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.059909232
48719,CON1CCN(CCNC(=O)c2ccc(C)c(C(C)=O)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2176975
48720,COc1cc2c(cc1C(=O)Nc1ccccc1Cl)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36627525
48721,COc1cc2c(cc1C1COc3ccccc3C1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75268096
48722,COc1cc2c(cc1Cl)C1Cc3cccc(-c4cccc(C)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6368565
48723,COc1cc2c(cc1O)C1Cc3cccc(C(C)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6098303
48724,COc1cc2c(cc1O)C1Cc3cccc(CS(=O)(=O)c4ccc(C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43709907
48725,COc1cc2c(cc1O)C1Cc3cccc(Oc4cccc(OC)c4C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.80966085
48726,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(OCc4nccc5ccccc45)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62173444
48727,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)NCc3ccccc3Cl)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46068177
48728,COc1cc2c(cc1OCc1ccc([N+](=O)[O-])cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5452398
48729,COc1ccc(CN(C)c2cc3c(cc2O)C2Cc4cccc(C)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59436136
48730,COc1ccc(OCCC(F)Cc2ccccc2)cc1NC(=O)C1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.06295859
48731,COc1ccc(OCCCCCc2ccc3c(c2)NC(=O)CCC3)cc1N(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.25549188
48732,COc1ccc(OCCCS(=O)(=O)Cc2ccccc2)cc1OC1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.3222203
48733,COc1ccc(OCCCS(=O)(=O)c2cccc(C(C)C)c2)cc1C1CN(C)CCO1,[*]CCOc1ccc(O[*])c([*])c1,0.242554
48734,COc1ccc(OCCF)cc1CNC(=O)C1CCc2c(cccc2SC)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2925606
48735,COc1ccc(OCCN(C)C=O)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.69182974
48736,COc1ccc(OCCNCc2ccccc2)cc1S(=O)(=O)C1CCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.29459375
48737,COc1ccc(OCCS(C)(=O)=O)cc1CCCc1ccc(OC2CCC(N)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.16403387
48738,COc1ccc(OCCS(C)(=O)=O)cc1NC(=O)Cc1ccc2c(c1)CC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.05367862
48739,COc1cccc2c1CN1CCc3cc(C(=O)[N+](=O)c4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47805426
48740,CSc1ccc(CN2CCC(C(=O)NOc3ccc(OCCF)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.3012779
48741,Cc1cc(OCCN2CC(Oc3ccc(F)cc3)CCC2CN)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.17309412
48742,Cc1cc(OCCN2CCN(c3ccccc3C(C)C)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.6303043
48743,Cc1cc(OCCSCCCc2ccc3c(c2)CC(=O)CC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.17134218
48744,Cc1cccc2c1CN1CCc3cc(NC=NOCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43750727
48745,FC(F)(F)Oc1ccccc1N1CCN(CCN2CCC(c3ccc(C(F)(F)F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87303454
48746,CC#Cc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.9060613
48747,CC1CCN(CCN2CCN(c3ccccc3-c3cc4ccccc4nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69398373
48748,CCCC(=O)c1cc2c(cc1O)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5369298
48749,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)Cc2ccc(C3CCNCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.041896228
48750,CCCOc1ccc(OS(C)(=O)=O)c(Oc2ccc(CC(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06700529
48751,CCN(Cc1ccccc1)C(=O)NCc1cccc(CN2CCN(CCCOC)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3822754
48752,CCOc1ccccc1N1CCN(CCN2CCC(c3ccc4c(c3)NC(=O)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78681254
48753,CCc1ccc(CC2CCN(Cc3cc(OCCNS(C)(=O)=O)ccc3OCS(C)(=O)=O)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.34450477
48754,COC1CCN(CCN2CCN(c3ccccc3-c3nccn3Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78881025
48755,COCCOc1ccc(ON2CCN(c3ccccn3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2748934
48756,CON1CCN(CCNC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])c(OC(C)=O)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2485637
48757,COOc1ccc(OCCN2CCN(C(C)=O)CC2)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.17372775
48758,COc1cc2c(cc1O)C1Cc3cccc(CS(=O)(=O)c4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.523545
48759,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc[nH]4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7475333
48760,COc1ccc(C(=O)NC2CCN(CCN3CCN(c4ccccc4C(C)C)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71595675
48761,COc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1ccc(O)o1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.20740451
48762,COc1ccc(C(=O)Nc2ccccc2N2CCN(CCN3CCC(C)CC3)CC2)c(OC)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.38114738
48763,COc1ccc(Cl)cc1-c1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8457826
48764,COc1ccc(OCCC(C)=O)cc1CC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.22882411
48765,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCc2ccc(F)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.30501926
48766,COc1ccc(OCCNCC2CC(=O)c3ccccc3C2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.18701665
48767,COc1ccc(OCCOS(C)(=O)=O)cc1C1CC(Cc2ccc(F)cc2)CC(=O)N1,[*]CCOc1ccc(O[*])c([*])c1,0.13379778
48768,COc1cccc(CN2CCN(CCCC(=NO)c3ccc4ccccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6226093
48769,COc1cccc(CN2CCN(CCCc3csc(-c4ccccc4)n3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65843225
48770,COc1cccc2c1CN1CCc3cc(F)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7839632
48771,COc1ccccc1C(=O)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72661924
48772,COc1ccccc1N1CCN(CCN2CCC(Oc3ccc4nc(O)ccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8266393
48773,COc1ccccc1N1CCN(CCN2CCC(n3c(O)nc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80073094
48774,COc1ccccc1N1CCN(COc2ccc(OCCNC(=O)c3ccc4c(c3)CCCC4)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.53054285
48775,Cc1cc(OCCN2CCC(Oc3ccccc3C)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6022751
48776,Cc1cc(OCCN2CCC(Oc3ccccc3C3CCCNC3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5172899
48777,Cc1cc(OCCN=S(C)(=O)O)ccc1OOCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.0899931
48778,Cc1cc(OCCNC(=O)Cc2ccccc2)ccc1ON1CCC(C(=O)O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.038632963
48779,Cc1cc(OCCNCc2csc3ccccc23)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.08499585
48780,Cc1cc(OCCNS(C)(=O)=O)ccc1ONCCc1ccc2c(c1)CCC(=O)C2,[*]CCOc1ccc(O[*])c([*])c1,0.09629888
48781,Cc1ccc(NC(=O)c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.28952056
48782,FCCCN1CCN(Cc2cccc(-c3ccc(C(F)(F)F)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68940336
48783,Fc1cccc(CN2CCN(CCCc3cc4ccccc4s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67091584
48784,Fc1ccccc1C1CCN(CCN2CCN(c3ccccc3OC(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.833291
48785,O=C1Cc2ccccc2C1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.77281606
48786,O=S1(=O)C(O)c2ccccc2N1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6395032
48787,OCc1cccc2c1CN1CCc3cc(O)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7855017
48788,CCCCN1CCN(Cc2cccc(-c3ccc(-c4ccccc4)s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57184523
48789,CCCOc1ccc(OCN2CCCN(c3cccc(C(F)(F)F)c3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.58613384
48790,CCCOc1ccc(OS(C)(=O)=O)c(Nc2cc(C(C)C)ccc2OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07573453
48791,CCOc1ccccc1N1CCN(CCN2CCC(n3cc(O)c4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.811762
48792,CNS(=O)(=O)c1cc(OCCN2CCC(OCc3ccc(F)cc3)CC2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.6443723
48793,COC(=O)CCOc1ccc(OC)c(CN2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39060524
48794,COC1CCN(CCN2CCN(c3ccccc3COc3cccc4nc(O)ccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7729482
48795,COOc1ccc(OCCCNC(=O)c2cc3ccccc3o2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.03234126
48796,COOc1ccc(OCCF)cc1CCCN1CCN(C(=O)c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.35271183
48797,COOc1ccc(OCCN2CCC(c3ccc(Br)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.61342853
48798,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(COC5CCCC5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6819014
48799,COc1cc2c(cc1O)C1Cc3cccc(Cc4cccc(CNC(C)=O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48826516
48800,COc1cc2c(cc1O)C1Cc3cccc(NC(=O)Nc4cccc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3775771
48801,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(OC)c4ccccc34)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68560416
48802,COc1cc2c(cc1OC)C1Cc3cccc(S(=O)(O)=Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64564484
48803,COc1ccc(OCCCNC(=O)c2ccc3ccccc3c2)cc1CN(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.053144593
48804,COc1ccc(OCCCOc2ccc(F)cc2)cc1NC(=O)C1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.07130868
48805,COc1ccc(OCCF)cc1CN1CCC(c2ccccc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6246309
48806,COc1ccc(OCCN2CCC(C(=O)c3ccc(F)c(F)c3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5216811
48807,COc1ccc(OCCN2CCC(NS(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5920129
48808,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(COc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3526518
48809,COc1ccc(OCCOCc2ccccc2)cc1N1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.43045232
48810,COc1cccc(C(=O)NCc2cc(OCCF)ccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.020462614
48811,COc1cccc(CN2CCN(CCCCNC(=O)C3CCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5728198
48812,COc1cccc(CNCCOc2ccc(OS(=O)(=O)N=O)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12533416
48813,COc1cccc(CNc2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40924156
48814,COc1cccc2c1CN1CCc3cc(-c4ccccc4[N+](=O)[O-])c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48883712
48815,COc1ccccc1N1CCN(CCN2CCC(CCc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8198556
48816,COc1ccccc1N1CCN(CCN2CCC(c3nc(-c4ccccc4)n(C)c3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.780833
48817,COc1ccn(C2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82440984
48818,CS(=O)(=Nc1ccccc1)Oc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72561795
48819,CSCCCN1CCN(Cc2cccc(-c3nc4ccccc4s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5627043
48820,Cc1cc(OCCCF)ccc1OCN1CCN(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.52440983
48821,Cc1cc(OCCF)ccc1OCN1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.46782455
48822,Cc1cc(OCCN2C=CN(C=O)CC2)ccc1ONCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.2262493
48823,Cc1cc(OCCN2CCC(Oc3ccc(CC4CCCCC4)cc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.4183553
48824,Cc1cc(OCCN2CCN(Cc3cc4ccccc4o3)CC2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.53668785
48825,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCCC(Cc2ccc(Cl)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.24221517
48826,Cc1ccccc1N1CCN(CCN2CCC(c3cncc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6748342
48827,O=C(NCc1cccc(CN2CCN(CCCCl)CC2)c1)C1CCCc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58974665
48828,Oc1cc2c(cc1O)C1Cc3cccc(COc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7553986
48829,Oc1ccccc1-c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6775315
48830,C=[SH]CCOc1ccc(OC)c(C(C)Cc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0951709
48831,CC(C)Oc1ccccc1N1CCN(CCN2CCC(c3ccc(Cl)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7953124
48832,CC1CCN(CCN2CCN(c3ccccc3-c3cc(-c4ccccc4)ncn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.74564964
48833,CC1CCc2ccccc2N1c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66646224
48834,CCC(=O)Oc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56374264
48835,CCCCc1cc2c(cc1OC)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73748094
48836,CCCOc1ccc(OCOc2ccc(F)cc2)c(CNC(=O)c2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.033106998
48837,CCCOc1ccc(ON2CCN(c3ccccc3OCC(F)(F)F)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35674003
48838,CCCOc1ccc(OOC)c(CC2CC=C(c3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32690546
48839,CCCOc1ccc(OOC)c(N2CCN(C(C)=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1092766
48840,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(Cc3ccc(OC)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.171876
48841,CCS(=O)(=O)c1cc(OCCNC(=O)Cc2ccc(F)cc2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.016804563
48842,COCCCN1CCN(Cc2cccc(-c3c[nH]c4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61328334
48843,COCCCN1CCN(Cc2cccc(CNC(=O)C=Cc3ccccc3OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48625046
48844,COCCCOc1ccc(ON2CCN(c3ccccc3OC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31051564
48845,COCCOc1ccc(OC)c(CNC(=O)c2cccc(CN)n2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.024418782
48846,COCCOc1ccc(ON2CCN(Cc3ccccc3C)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.43508208
48847,CON1CCN(CCNC(=O)c2ccc(-c3cccc(Cl)c3Cl)c([N+](=O)[O-])c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29889572
48848,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1cccs1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.28414124
48849,COc1cc2c(cc1C(=O)NCc1cccc(Cl)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36223432
48850,COc1cc2c(cc1CNC(=O)c1ccc3ccccc3c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44412485
48851,COc1cc2c(cc1O)C1Cc3cccc(CNc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5965637
48852,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(N(C)C)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72610116
48853,COc1ccc(CNCOc2ccc(OCCF)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06937413
48854,COc1ccc(OCCCNC(=O)Cc2ccccc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.03266376
48855,COc1ccc(OCCCS(C)(=O)=O)cc1NS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07098319
48856,COc1ccc(OCCN2CCC(Cc3ccc4ccc(F)cc4c3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5725062
48857,COc1ccc(OCCN2CCC(OC(=O)c3ccc(F)cc3)CC2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5143454
48858,COc1ccc(OCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1SCCF,[*]CCOc1ccc(O[*])c([*])c1,0.47239104
48859,COc1ccc(OCCN2CCc3ccc(CC(F)(F)F)cc3C2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.4384948
48860,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(Cc2ccc3cc(C)c(=O)oc3c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.14277261
48861,COc1ccc(OCCNC(c2ccccc2)C2CCCCN2)cc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.20639391
48862,COc1ccc(OCCOS(C)(=O)=O)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.07372799
48863,COc1ccc(OCCOS(C)(=O)=O)cc1N1CCC(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31220326
48864,COc1cccc(CN2CCN(CCCCNS(=O)(=O)c3cccc(C(N)=O)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51458424
48865,Cc1cc(OCCC(C)Cc2ccc3c(c2)NC(=O)CCC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.17407428
48866,Cc1cc(OCCN2CCCC2COc2ccc3c(c2)NC(=O)CCC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3735862
48867,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)NCO3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.020734634
48868,O=S(=O)(NCc1cccc(CN2CCN(CCCCl)CC2)c1)c1cc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6010507
48869,O=S(=O)(NCc1cccc(CN2CCN(CCCCl)CC2)c1)c1cccs1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5658543
48870,O=[SH](O)(Oc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2)C(F)(F)F,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6665291
48871,O=c1ccccn1Cc1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6683555
48872,Oc1cc2c(cc1CCNc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53952384
48873,Oc1cc2c(cc1CF)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.81046546
48874,CCCOc1ccc(ONS(C)(=O)=O)c(NCC2C(=O)CCc3ccc(CC(=O)O)cc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20104241
48875,CCCOc1ccc(OOC)c(NC(CC2CCCNC2)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2549811
48876,CCCOc1ccc(OS(C)(=O)=O)c(NC2CCC(Oc3ccc(C(C)=O)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06580757
48877,CCn1cccc1OCc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7269824
48878,COC1CCN(CCN2CCN(c3ccccc3Cc3ccc4c(c3)NC(=O)CC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76734376
48879,COCCOc1ccc(OC)c(N2CCC(c3ccccc3OCCF)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39639384
48880,COCCOc1ccc(ON2CCCN(c3ccccc3OC)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3033904
48881,COc1cc2c(cc1Cc1ccc(O)c3ccccc13)CCN1Cc3c(CO)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7152428
48882,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccc(COC(F)(F)F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.733862
48883,COc1cc2c(cc1O)CCN1Cc3c(cccc3NC(=O)NCc3ccc(C#N)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.30284297
48884,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccc5cc(CO)ccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5977479
48885,COc1ccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2OC)c(OC)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2095889
48886,COc1ccc(C(=O)NCCN2CCN(N)CC2)cc1-c1ccccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.28414002
48887,COc1ccc(OCCC=Cc2ccccc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.12568413
48888,COc1ccc(OCCF)cc1NS(=O)(=O)c1cccc(C(C)C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.073772244
48889,COc1ccc(OCCNC(C)=O)cc1CCN1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.539734
48890,COc1ccc2ccc(CC3CCN(Oc4ccc(OCCOS(C)(=O)=O)cc4C)CC3)cc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.16327663
48891,COc1cccc(-c2cc3c(cc2OC)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.614343
48892,COc1cccc(Oc2cc3c(cc2OC)C2Cc4cccc(C(F)(F)F)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7599902
48893,COc1cccc2c1CCN(c1cccc(CN3CCN(CCCC(F)(F)F)CC3)c1)C2=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.47325453
48894,COc1cccc2c1CN1CCc3cc(CNc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57024294
48895,COc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccc4C#N)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8819643
48896,CSOc1ccc(OCCC=Cc2ccccc2OC2CCNCC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.269037
48897,CSOc1ccc(OCCN2CCC(Cc3ccc4ccccc4c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5784089
48898,CSOc1ccc(OCCNS(=O)(=O)c2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.06725153
48899,Cc1cc(OCCC(=O)c2ccc(F)cc2)ccc1ON1CCC(C)(O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21010444
48900,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)CCC(=O)N4)CC2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4897471
48901,Cc1cc(OCCN=S(C)(=O)O)ccc1OC(=O)CCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.10940711
48902,Cc1cccc(CN2CCN(CCCCc3ccc(-c4ccccc4)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6248428
48903,Cc1ccccc1N1CCN(CCN2CCC(c3ncco3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68193823
48904,ClCCCN1CCN(Cc2cccc(Sc3cccc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6845708
48905,O=C(CCCCN1CCN(Cc2cccc(O)c2)CC1)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7142755
48906,O=C(NCCCCN1CCN(Cc2cccc(Cl)c2)CC1)c1cccc2ccsc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58269924
48907,O=C1C=C(CCCN2CCN(Cc3cccc(Cl)c3)CC2)C(O)C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62468773
48908,O=C1CCc2cc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)ccc2N1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.670561
48909,O=C1Nc2cccc(-c3cccc(CN4CCN(CCCCl)CC4)c3)c2CO1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61417043
48910,O=C1c2ccccc2NC(C=NCC2CCN(CCN3CCN(c4ccccc4[N+](=O)[O-])CC3)CC2)N1c1ccccc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.47108403
48911,Oc1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7121149
48912,CCCCc1ccc(F)cc1CCOc1ccc(ONS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06325395
48913,CCCOc1ccc(OC#N)c(CN2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.90929437
48914,CCCOc1ccc(OOC)c(CCNC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.024465
48915,CCCOc1ccc(OOC)c(N2CCN(CCc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8317332
48916,CCOC(=O)Nc1ccc(F)cc1Oc1ccc(OCCOC)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.007967583
48917,CNc1cccc2c1CN1CCc3cc(C)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53015494
48918,COC(=O)NOc1ccc(OCCCC(=O)Sc2ccc(C(C)=O)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.03470525
48919,COC1CCN(CCN2CCN(c3ccccc3-c3ccc4c(c3)NC(=O)CO4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69980866
48920,COCc1cccc2c1CN1CCc3cc(Cc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7712366
48921,COc1cc2c(cc1CC(=O)c1ccc3ccccc3c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57718253
48922,COc1cc2c(cc1CCl)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.819593
48923,COc1cc2c(cc1Cc1cc[nH]c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72340584
48924,COc1cc2c(cc1Cc1ccc(C#N)cc1)CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6147683
48925,COc1cc2c(cc1O)CCN1Cc3c(CNCc4cccc(C#N)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59944457
48926,COc1cc2c(cc1OCc1cnc3ccccc3c1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60347074
48927,COc1ccc(CCc2cc3c(cc2OC)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.84631354
48928,COc1ccc(OCCCNCc2ccccc2)cc1NS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.18652338
48929,COc1ccc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1[SH]=NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.59564644
48930,COc1ccc(OCCN2CCC=C(S(=O)(=O)c3cc(F)ccc3F)CC2)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.36212575
48931,COc1ccc(OCCNC(C)=O)cc1N1CCC(CC(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.298914
48932,COc1ccc(OCCOS(C)(=O)=O)cc1NC(=O)COc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.008715449
48933,COc1ccc(OCCO[SH](C)(C)=O)cc1N1CCC(Cc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3843823
48934,COc1ccc(OCCS(C)(=O)=O)cc1CCF,[*]CCOc1ccc(O[*])c([*])c1,0.07235361
48935,COc1ccc(OCCS(C)=O)cc1NC(=O)Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.008601985
48936,COc1ccc2c(c1)C(CNCCOc1ccc(ONS(C)(=O)=O)c(C)c1)C(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.21076661
48937,COc1cccc(-c2cnc(C3CCN(CCN4CCN(c5ccccc5C(F)(F)F)CC4)CC3)s2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7436556
48938,COc1cccc(CN2CCN(CCCNc3cccs3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.47960106
48939,COc1cccc(CN2CCN(CCCc3cc4ccccc4[nH]c3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53895885
48940,COc1cccc(CN2CCN(CCCc3ccc4c(c3)C(O)CCC4)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70132077
48941,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3cnn4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8202529
48942,COc1ccccc1N1CCN(CCNC(=O)c2ccc([SH](C)(=O)O)c(OC)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.80456513
48943,COc1cccnc1C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7173668
48944,CS(=O)(=O)NOc1ccc(OCCF)cc1N1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.240609
48945,Cc1cc(OCCN2CCC(Oc3ccc(CC(F)(F)F)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5299625
48946,Cc1cc(OCCN2CCC(c3ccccc3C=O)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5687299
48947,Cc1cc(OCCN2CCCC(Cc3ccc4ccccc4c3)C2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.4601084
48948,Cc1cc(OCCNS(C)(=O)=O)ccc1OCN1CCCC(C)C1,[*]CCOc1ccc(O[*])c([*])c1,0.33889028
48949,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(c2cccs2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2611773
48950,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCC(Oc2ccc(C3CCCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.17502531
48951,O=[N+]([O-])c1ccccc1N1CCN(CCN2CCC(c3cc(O)nc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.59505135
48952,CC(C)c1cc2c(cc1OCc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7699268
48953,CCCOc1ccc(OC)c(N2CCC(NS(=O)(=O)c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32221046
48954,CCCOc1ccc(OCN2CCN(c3ccccc3OCC)CC2)c(NS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5540503
48955,CCCOc1ccc(ON(C)C)c(N2CCN(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32044983
48956,CCCOc1ccc(ON2CCCN(c3ccccc3OC)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3489884
48957,CCCOc1ccc(ON=S(C)(=O)O)c(CCNC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.021254402
48958,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(c3ccccc3OC3CC3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34828714
48959,CCCOc1ccc(OSC)c(N2CCCN(c3cccc(C)c3Cl)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27769396
48960,CCOc1cccc2c1CN1CCc3cc(OC)c(COCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67189753
48961,CCOc1ccccc1N1CCCN(CCCOc2ccc(OOC)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7429376
48962,CCc1cc2c(cc1OC)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63466066
48963,CCc1cccc(Cc2cc3c(cc2OC)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7671297
48964,CNOc1ccc(OCCN2CCC(Oc3ccc(C(N)=O)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.36226755
48965,COC(=O)NCc1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4613262
48966,COC(=O)Nc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.426861
48967,COC1CCN(CCN2CCN(c3ccccc3[SH](=O)(O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6560908
48968,COCCCN1CCN(Cc2cccc(NC(=O)Nc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.32292226
48969,COc1cc2c(cc1O)C1Cc3cccc(-c4cccc(C)c4C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67519724
48970,COc1cc2c(cc1O)C1Cc3cccc(COCc4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6795488
48971,COc1cc2c(cc1O)CCN1Cc3c(CNCc4ccc(O)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62214684
48972,COc1cc2c(cc1OC)C1Cc3cccc(COc4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69340926
48973,COc1ccc(OCCN2CCN(c3ccc(Cl)cc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.8727868
48974,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCCCC1CCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.2763002
48975,COc1ccc(OCCN=S(C)(=O)O)cc1NCCC1Cc2ccccc2CC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.20462368
48976,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(C(=O)c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.15804121
48977,COc1ccc(OCCSC)cc1N1CCCN(c2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2791533
48978,COc1cccc(-c2cccc3c2CN2CCc4cc(O)c(C)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50891256
48979,COc1cccc(CCCN2CCN(Cc3cccc(OCCF)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6245665
48980,COc1cccc(CN(C)c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6987077
48981,COc1cccc(CN2CCN(CCCCn3cc4ccccc4c3O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6810988
48982,COc1ccccc1N1CCN(CCCOc2ccc(OC=CCF)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8479895
48983,COc1ccccc1N1CCN(CCN2CCC(NC(=O)Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80075
48984,COc1ccccc1N1CCN(CCN2CCC(Oc3ccc4nccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8536579
48985,COc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccccn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8590511
48986,Cc1cc(OCCCS(=O)(=O)c2ccc(F)cc2)ccc1ON1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.18589257
48987,Cc1cc(OCCN2CCC(n3cccc3C=O)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.58438027
48988,Cc1cc(OCCNCC2CCC(O)(c3ccc(F)cc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.11483459
48989,Cc1cc(OCCNCc2ccc(SC=O)cc2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.14843012
48990,Cc1cc(OCCc2ccc(F)cc2)ccc1ON1CCN(c2cccc(C(F)(F)F)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3171244
48991,FC(F)(F)OCCCN1CCN(Cc2cccc(-c3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7143787
48992,Fc1cccc(CN2CCN(CCCCNc3ncc(-c4ccccc4)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5989134
48993,O=C(NC1CCN(CCN2CCN(c3ccccc3O)CC2)CC1)c1ccc(-c2cccnc2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72313404
48994,O=C1OC(CCCN2CCN(Cc3cccc(Cl)c3)CC2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6663361
48995,Oc1ccccc1N1CCN(CCN2CCC(c3cccnc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6642801
48996,CC(=O)NOc1ccc(OCCN2CCN(Cc3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.3493149
48997,CCCCc1ccc(OC)cc1-c1cc(OCCC)ccc1OSC,[*]CCOc1ccc(O[*])c([*])c1,0.09622162
48998,CCCCn1cc(C2CCN(Cc3cc(OCCC(N)=O)ccc3OC)CC2)cn1,[*]CCOc1ccc(O[*])c([*])c1,0.37851766
48999,CCCCn1cc(CCOc2ccc(ON3CCN(c4ccccc4OC)CC3)c(C)c2)cn1,[*]CCOc1ccc(O[*])c([*])c1,0.23885842
49000,CCCOc1ccc(OC)c(N2CCC(c3cccc(NC(C)=O)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23252541
49001,CCCOc1ccc(OCCOc2ccc(C)cc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.085117735
49002,CCCOc1ccc(OOC)c(CN2CCN(C3CCCC3c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5982427
49003,CCCOc1ccc(OOC)c(COc2cccc(Cl)c2NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14796811
49004,CCCOc1ccc(OOS(C)(=O)=O)c(NCCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.052361537
49005,CCCOc1ccc(OSC)c(N2CCC(NS(=O)(=O)c3cccc(Cl)c3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2605324
49006,CCN(C)c1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.9050961
49007,CCOc1cccc2c1CN1CCc3cc(O)c(CO)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6179956
49008,COC(=O)c1cccc2c1CN1CCc3cc(Oc4ccc(OC)c5ccccc45)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4622328
49009,COC1CCN(CCN2CCN(c3ccccc3C(O)c3cnc4cccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6557102
49010,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.44034645
49011,COCCOc1ccc(OC)c(N2CCCC(CC(=O)c3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18776123
49012,COOc1ccc(OCCN2CCC(Nc3ccccc3F)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5271669
49013,COOc1ccc(OCCNC(O)CCc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.12151509
49014,COOc1ccc(OCCNCCC2C(=O)CCc3ccccc32)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.20103145
49015,COOc1ccc(OCCc2ccc(F)cc2)cc1CCC(=O)N1CCCc2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.101661816
49016,COc1cc(C(=O)NCCN2CCN(O)CC2)ccc1-c1cc(C)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.16266724
49017,COc1cc2c(cc1-c1ccccc1C#N)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6889684
49018,COc1cc2c(cc1O)C1Cc3cccc(CNC(=O)c4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44496214
49019,COc1ccc(OCCC(C)=O)cc1CNc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.026018431
49020,COc1ccc(OCCC2(F)CCCN(C(=O)c3ccccc3F)CC2)cc1[SH](C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.06993723
49021,COc1ccc(OCCCF)cc1N(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09498269
49022,COc1ccc(OCCCl)cc1CCCc1cccnc1,[*]CCOc1ccc(O[*])c([*])c1,0.15191516
49023,COc1ccc(OCCNC(=O)c2ccc3c(c2)NC(=O)CC3)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.094706096
49024,COc1ccc(OCCNCC(=O)c2ccc(Cl)cc2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07903288
49025,COc1ccc(OCCNS(C)(=O)=O)cc1CCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.22711076
49026,COc1ccc(OCCOC(=O)Cc2ccc3c(c2)NCCC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.129501
49027,COc1ccc(OCCS(C)(=O)=O)cc1C(C)CCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07872956
49028,COc1ccc(OCCS(N)(=O)=O)cc1N1CCCC(Oc2ccc(CC(F)(F)F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.22288764
49029,COc1cccc2c1CN1CCc3cc(C)c(OC(C)C4CCCCC4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5316893
49030,COc1cccc2c1CN1CCc3cc(C=NO)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67227226
49031,COc1ccccc1-c1cc(C(=O)NCCN2CCN([O-])CC2)ccc1Br,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3364935
49032,CS(=O)(=O)Nc1cccc(-c2cccc(CN3CCN(CCCF)CC3)c2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.47327447
49033,CSC1CCN(CCN2CCN(c3ccccc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70780396
49034,CSOc1ccc(OCCNCc2ccc(C=O)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.12285424
49035,Cc1cc(OCCCCCCc2ccccc2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10761406
49036,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCCS4)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5678192
49037,O=C(CCc1ccccc1)Nc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.26819745
49038,C=CC1C(=O)c2ccccc2N1CCCN1CCN(Cc2cccc(OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56955314
49039,CC(=O)NOc1ccc(OCCCCCc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.10794979
49040,CC(C)Oc1ccccc1N1CCN(CCN2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77742755
49041,CC=Nc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7060727
49042,CCCOc1ccc(OCN2CCN(c3ccccc3OCCF)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.79485345
49043,CCCOc1ccc(OOC)c(Cc2cccc(N3CCNC3)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30213687
49044,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Oc3ccc4ccc(OCC)cc4c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30052993
49045,CCOC1CCN(CCN2CCN(c3ccccc3Oc3ccc4nc(O)[nH]c4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7289411
49046,CCOc1cc(OCCNC(=O)CSc2ccc(C)cc2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.010971223
49047,CCOc1cccc2c1CN1CCc3cc(OC)c(OCc4cccc(CO)c4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6168008
49048,CNC(=O)CCOc1ccc(OC)c(CCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.014940117
49049,COCCCN1CCN(Cc2cccc(-n3c4ccccc4c(=O)n3-c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5510411
49050,CON1CCN(CCNC(=O)c2ccc(C)c(-c3ccccc3C#N)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3371472
49051,COOc1ccc(OCCN2CCCC(S(=O)(=O)c3ccccc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.3852172
49052,COc1cc2c(cc1O)C1Cc3cccc(-c4cc(C)ccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7024495
49053,COc1cc2c(cc1O)C1Cc3cccc(C(=O)OCc4ccc(Cl)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58230853
49054,COc1cc2c(cc1O)CCN1Cc3c(CCSc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58738947
49055,COc1ccc(-c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69998235
49056,COc1ccc(CS(=O)(=O)NOc2ccc(OCCOS(C)(=O)=O)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.04978428
49057,COc1ccc(OCCC2CCC(COc3ccc4c(c3)NC(=O)CC4)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.29471013
49058,COc1ccc(OCCCNS(=O)(=O)c2cc(C(C)C)ccc2F)cc1CN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.15328473
49059,COc1ccc(OCCNC(=O)Cc2ccc3ccccc3c2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.0416102
49060,COc1ccc(OCCNCc2cccs2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.18091768
49061,COc1cccc(CN2CCN(CCCCC3=C4CCC=CC=C4SC3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.703728
49062,COc1cccc(CN2CCN(CCCN3C(=O)CSc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6434425
49063,COc1cccc2c1CN1CCc3cc(C=NOCc4cccc(F)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62317836
49064,COc1cccc2c1CN1CCc3cc(NS(C)(=O)=O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54427195
49065,COc1ccccc1Cc1ccc(C(=O)NCCN2CCN(O)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3359415
49066,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc4ccc(O)cc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8780089
49067,COc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85377705
49068,COc1ccccc1N1CCN(CCN2CCC(c3cccc(C)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8242409
49069,Cc1cc(OCCF)ccc1OCNCC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.35163006
49070,Cc1cc(OCCN2CCC(Cc3ccc4ccccc4c3)CC2)ccc1O[SH](C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.54567546
49071,Cc1cc(OCCN2CCC(Oc3ccc4ccccc4c3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.58041465
49072,Cc1cccc(CN2CCN(CCCCc3cc(C)cc(=O)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7036244
49073,Cc1ccccc1N1CCN(CCN2CCC(c3ccc(Cl)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6774613
49074,O=C(Nc1cccc(CN2CCN(CCCF)CC2)c1)c1cccc2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.416372
49075,O=C1c2ccccc2C(=O)N1CCCN1CCN(Cc2cccc([N+](=O)[O-])c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5022231
49076,Oc1cc2c(cc1-c1cccc(C(F)(F)F)c1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6627833
49077,Oc1cc2c(cc1C1CCCCO1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62370026
49078,CC(=O)C=NOc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5428645
49079,CC(=O)ON(C)c1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5089903
49080,CCCOc1ccc(OC(=O)NSC)c(CC(C)COc2ccc3ccccc3c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.036460917
49081,CCCOc1ccc(OCCCc2ccccc2)c(OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12533596
49082,CCCOc1ccc(OCN2CCN(c3ccccc3OC)CC2)c(N=CO)c1,[*]CCOc1ccc(O[*])c([*])c1,0.752927
49083,CCCOc1ccc(OCN2CCN(c3ccccc3OC)CC2)c(NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.508466
49084,CCCOc1ccc(OF)c(C(O)COc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22209899
49085,CCCOc1ccc(OOC)c(CN2CCN(c3ccc(F)cc3)CC2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36163464
49086,CCCOc1ccc(OS(=O)(=O)O)c(N2CCCC(Cc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1628909
49087,CCCOc1ccc(OS(C)(=O)=O)c(N2C(=O)CCC2COc2ccc3c(c2)NC(=O)CCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24586728
49088,CCOc1cccc2c1CN1CCc3cc(OC)c(OC(=O)Nc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35225323
49089,CNOc1ccc(OCCNCc2ccccc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.32881004
49090,COC1CCN(CCN2CCN(c3ccccc3-c3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77440774
49091,COC1CCN(CCN2CCN(c3ccccc3Cc3cc4ccccn4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7255209
49092,COCCCN1CCN(Cc2cccc(CN3CCc4ccccc4C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.74170995
49093,COCCOc1ccc(OC)c(CNCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15610857
49094,COCCOc1ccc(ON2CCC(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11391237
49095,COCCOc1ccc(ONCC2CCc3ccc(F)cc3C2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4008219
49096,COOc1ccc(OCCF)cc1CN1CCN(CC(=O)c2ccc(CCF)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2667062
49097,COc1cc2c(cc1C(C)Oc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6935863
49098,COc1cc2c(cc1CO)C1Cc3cccc(-c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56314147
49099,COc1cc2c(cc1O)C1Cc3cccc(C(C)Oc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72118974
49100,COc1cc2c(cc1O)C1Cc3cccc(C=Cc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.80588335
49101,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccc(Cl)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73666793
49102,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(C#N)cc3Cl)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67853314
49103,COc1cc2c(cc1OC)C1Cc3cccc(CCc4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67042655
49104,COc1ccc(COc2cccc(-c3cccc4c3CN3CCc5cc(OC)c(OC)cc5C3C4)c2)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49502155
49105,COc1ccc(OCCCN2CCNC2)cc1-c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.5318602
49106,COc1ccc(OCCN2CCCC(C3CCc4cc(F)ccc4C3=O)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5920845
49107,COc1ccc(OCCN=S(C)(=O)O)cc1C1CCCC(CCc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27562827
49108,COc1ccc(OCCNCCc2ccccc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.222294
49109,COc1ccc([N+](=O)c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6922801
49110,COc1cccc(COc2cccc3c2CN2CCc4cc(Cl)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6186022
49111,COc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3cc(Br)ccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82564265
49112,COc1ccccc1N1CCN(COc2ccc(OCCc3ccc(F)cc3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.64898854
49113,CSc1ccc(C(=O)NCCOc2ccc(OS(=O)(=O)c3cc(C=O)cn3C)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.05598174
49114,CSc1ccc(C2CCN(COc3ccc(OCCNC=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.38628328
49115,Cc1cc(OCCF)ccc1ONS(=O)(=O)c1ccc2c(c1)CC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.063281976
49116,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)C3CCCCC3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6275984
49117,ClCCCN1CCN(Cc2cccc(-c3ccc4ccccc4n3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7087603
49118,O=C(NCc1ccccc1F)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4724327
49119,O=C1CC2(CCCC2)CC(=O)N1Cc1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5199963
49120,CC(C)Oc1ccccc1N1CCN(CCN2CCC(n3ccc(-c4ccccc4)c3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8361969
49121,CC(C)c1cccc(CN2CCN(CCCN3c4ccccc4CS3(=O)=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6023648
49122,CCCCc1cc2c(cc1C(=O)O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5098864
49123,CCCOc1ccc(OCN2CCN(C(C)=O)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1377504
49124,CCCOc1ccc(ONS(C)(=O)=O)c(C2C(=O)CCc3ccc(CCC4CCCS4)cc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26477695
49125,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26203853
49126,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC2Cc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25265434
49127,CCCOc1ccc(OS(N)(=O)=O)c(-c2ccccc2CCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10289693
49128,CCOCCCN1CCN(Cc2cccc(CNS(=O)(=O)c3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.35235375
49129,CCOc1cc2c(cc1-c1ccc(OC)cc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6968604
49130,CCOc1ccccc1N1CCN(Cc2cc(OCCOC)ccc2ONC(=O)c2ccc(C)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.573242
49131,COC1CCN(CCN2CCN(c3ccccc3-n3cc(C(F)(F)F)nc3-c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66555166
49132,COCCCN1CCN(Cc2cccc(N3Cc4ccccc4C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6462629
49133,COOc1ccc(OCCN2CCC(Nc3ccccc3OC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5436682
49134,COc1cc2c(cc1O)C1Cc3cccc(C(=O)Nc4ccccc4C#N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3822606
49135,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc4cc[nH]c4c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69812167
49136,COc1cc2c(cc1O)CCN1Cc3c(cccc3NC(=O)c3ccco3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.33826005
49137,COc1cc2c(cc1OC)C1Cc3cccc(OC(C)(F)F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8525709
49138,COc1cc2c(cc1Oc1ccccc1N1CCN(CCN3CCC(OC)CC3)CC1)NC(=O)CC2,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.792905
49139,COc1ccc(C(=O)NC2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)c(OC)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6561273
49140,COc1ccc(OCCCCNC(=O)c2ccccc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.05166778
49141,COc1ccc(OCCN2CCC(C(=O)c3ccccc3S(C)=O)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.51734006
49142,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2856918
49143,COc1ccc(OCCS(N)(=O)=O)cc1N1CCC(Oc2ccc3c(c2)NC(=O)CCC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4839684
49144,COc1ccc2c(c1)CC(Nc1cc(OCCS(C)(=O)=O)ccc1OC)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.43312207
49145,COc1cccc2c1CN1CCc3cc(Cc4c[nH]c5ccccc45)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70747656
49146,COc1ccccc1CNCCOc1ccc(OS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18517053
49147,COc1ccccc1N1CCN(CCN2CCC(N(C)c3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84104407
49148,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.89959276
49149,COc1ccccc1N1CCN(CCN2CCC(c3ccc(S)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8669799
49150,COc1ccccc1N1CCN(CCN2CCC(c3cccc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85733944
49151,Cc1cc(OCCC(=O)COc2ccc(F)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.01802848
49152,Cc1cc(OCCF)ccc1ONS(=O)(=O)c1ccc(CCN)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06494101
49153,Cc1cc(OCCN2CCC(Cc3ccc(F)cc3)CC2)ccc1ONS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.47523767
49154,Cc1cc(OCCNC(=O)COc2cccc(NS(C)(=O)=O)c2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.007759591
49155,Cc1cc(OCCOS(=O)(=O)C(F)(F)F)ccc1ONC(=O)C1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.046195414
49156,Cc1ccc(=O)n(Cc2cccc(CN3CCN(CCCCl)CC3)c2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5688045
49157,Cc1cccc(CN2CCN(CCCCC(=O)N3c4ccccc4CC3C)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7955152
49158,ClC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccccc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7864715
49159,NC=Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74181265
49160,Sc1nc2c(-c3cccc(CN4CCN(CCCCl)CC4)c3)cccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.71561825
49161,CC(=O)C1CCN(CCOc2ccc(ONS(=O)(=O)c3ccc(OC(C)C)cc3)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.39994356
49162,CCCOc1ccc(OC(N)=O)c(N2CCC(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19571075
49163,CCCOc1ccc(OCC2CCCN(c3ccccc3OC)C2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3193644
49164,CCCOc1ccc(OCl)c(N2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.41681674
49165,CCCOc1ccc(OF)c(CN2CCN(C(=O)c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09899515
49166,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(CCc3ccccn3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.286364
49167,CCCOc1ccc(OOC)c(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39871413
49168,CCCOc1ccc(OOCCF)c(CN2CCCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7295949
49169,CCCOc1ccc(OS(C)(=O)=O)c(NC2CCc3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.43483603
49170,CCCOc1ccc(OS(N)(=O)=O)c(CN2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.55153435
49171,CCNc1ccc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58299255
49172,CCOCCOc1ccc(OC)c(N2CCCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32110107
49173,CNC(=O)CCOc1ccc(ON2CCC(Oc3ccccc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10224684
49174,CNc1ccccc1-c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43980297
49175,COC(=O)c1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6880659
49176,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3cc4ccccc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6629373
49177,COC1CCN(CCN2CCN(c3ccccc3Cc3cc(O)nc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67388314
49178,COC1CCN(CCN2CCN(c3ccccc3Cc3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7492254
49179,COC1CCN(CCN2CCN(c3ccccc3NC(=O)C34CCCC(CC3)C4(C)C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.42117533
49180,COCCCN1CCN(Cc2cccc(NC(=O)c3ccc4ccccc4n3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3136446
49181,COc1ccc(OCCC(=O)COc2ccc(F)cc2)cc1CN1CCC(S(=O)(=O)O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3751222
49182,COc1ccc(OCCNC(=O)CCc2ccccc2)cc1S(=O)(=O)OC,[*]CCOc1ccc(O[*])c([*])c1,0.050909303
49183,COc1ccc(OCCS(C)(=O)=O)cc1C(C)Cc1ccc(OC2CCNCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.17247304
49184,COc1ccc(OCCS(N)(=O)=O)cc1NCCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.08275052
49185,COc1ccc(OCCSc2ccccc2CC(F)(F)F)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06845664
49186,COc1ccccc1CN1CCN(CCOc2ccc(OS(=O)(=O)N=S(C)(=O)O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.38364875
49187,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(-c4ccc(F)nc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8865072
49188,COc1ccccc1N1CCN(COc2ccc(OCCNC(=O)c3cc4ccccc4s3)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6547042
49189,CS(=O)(=O)NOc1ccc(OCCF)cc1N1CCC(Cc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.37719432
49190,CSOc1ccc(OCCN2CCC(Cc3ccccc3C)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.59816825
49191,Cc1cc(OCCCN2CCN(C)CC2)ccc1ONCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.5198045
49192,Cc1cc(OCCN2CCC(=O)c3ccccc3C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.43553013
49193,Cc1cc(OCCNS(=O)(=O)c2cc(C(C)C)ccc2F)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.034923676
49194,Cc1cc(OCCNS(C)(=O)=O)ccc1OCN1CCC(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.44628662
49195,Cc1cc(OCCS(=O)(=O)Cc2ccc(C(C)C)cc2)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.045524765
49196,Cc1cc(OCCc2cccn2Cc2ccccc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07312873
49197,Cc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cccc(C#N)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50687873
49198,Cc1ccc(C2CCN(Oc3ccc(OCCOS(=O)(=O)C(F)(F)F)cc3C)CC2)nc1,[*]CCOc1ccc(O[*])c([*])c1,0.1728759
49199,Cc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccc4)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71149135
49200,ClC1CCN(CCN2CCN(c3ccccc3-c3ccnc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8400297
49201,O=C1COc2cccc(CCCN3CCN(Cc4cccc(F)c4)CC3)c2N1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64571935
49202,CC(=O)c1ccc(S(=O)(=O)NCCOc2ccc(ON(C)C)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.013982932
49203,CC(C)c1ccccc1N1CCN(CCN2CCC(c3nccc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6805964
49204,CCCOC1CCc2ccc(CC(=O)NCCOc3ccc(OSC)c(C)c3)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.11906491
49205,CCCOc1ccc(OCCN2CCC(C(F)(F)F)CC2)c(Cc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6395413
49206,CCCOc1ccc(OCNS(C)(=O)=O)c(N2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31113073
49207,CCCOc1ccc(ONC)c(N2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40700895
49208,CCCOc1ccc(OOC=O)c(CN2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6188747
49209,CCOc1ccc(-c2cccc3c2CN2CCc4cc(Cl)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5668487
49210,CCOc1cccc(CN2CCN(CCCc3ccc(C)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48372436
49211,CCOc1cccc2c1CN1CCc3cc(O)c(C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60503006
49212,COC(=O)c1ccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2C)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.1791636
49213,COCCCN1CCN(Cc2cccc(CNC(=O)c3ccc4occc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4249423
49214,COOc1ccc(OCCF)cc1CCNc1ccccn1,[*]CCOc1ccc(O[*])c([*])c1,0.08827763
49215,COc1cc2c(cc1O)C1Cc3cccc(C(=O)Nc4c(OC)cccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5352687
49216,COc1cc2c(cc1O)C1Cc3cccc(COc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79436684
49217,COc1cc2c(cc1O)C1Cc3cccc(NCc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5013471
49218,COc1ccc(-c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1C,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6767984
49219,COc1ccc(COc2cc3c(cc2O)C2Cc4cccc(C)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58529544
49220,COc1ccc(OCCCCCc2ccc3c(c2)CCC(=O)N3)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.14931773
49221,COc1ccc(OCCCF)cc1CC(=O)N1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.16398312
49222,COc1ccc(OCCCc2ccc(OC3CCNCC3)cc2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.2573836
49223,COc1ccc(OCCN2CCC(Oc3ccc(Br)cc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.6085983
49224,COc1ccc(OCCN2CCC(Oc3ccc(CC4CCC(=O)N4)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5707046
49225,COc1ccc(OCCN2CCN(c3ccccc3C(C)C)C2=O)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.30620822
49226,COc1ccc(OCCNC(C)=O)cc1S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.0315437
49227,COc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.782164
49228,COc1ccccc1N1CCN(CCN2CCC(Cn3cc(-c4ccc(F)cc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.86011887
49229,COc1ccccc1N1CCN(CCN2CCC(N3CCc4ccccc4C3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81792617
49230,COc1ccccc1N1CCN(CCN2CCC(c3cc(F)ccc3-c3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.839051
49231,COc1ccccc1N1CCN(CCOc2ccc(OS(C)(=O)=CON)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7353435
49232,CS(=O)(=O)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7026417
49233,CSOc1ccc(OCCNC(=O)c2ccc(C3CCN(C)CC3)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.20717014
49234,Cc1ccc(OC2CCCN(CCOc3ccc(ON=S(C)(=O)O)c(C)c3)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.27846992
49235,ClCCCN1CCN(Cc2cccc(Cc3cnc(-c4ccccc4)o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6329527
49236,O=C(O)CCNc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4485975
49237,O=C(OCc1ccccc1)c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5507998
49238,OCc1cn(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c2ccccc12,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64377964
49239,Oc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(COC5CCC5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67771316
49240,Oc1cc2c(cc1[SH]=NCc1ccccc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5696117
49241,[O-]c1ccccc1N1CCN(CCN2CCC(c3nccs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8040846
49242,CC(=O)c1ccccc1N1CCN(CCOc2ccc(OS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6160851
49243,CC1CCCN(CCCN2CCN(Cc3cccc(Cl)c3)CC2)C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5619373
49244,CCCOc1ccc(OC)c(N2CCC(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4074332
49245,CCCOc1ccc(OC)c(N2CCN(CCc3ccc4c(c3)N(S(C)(=O)=O)C(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7279482
49246,CCCOc1ccc(ON2CCN(c3ccccc3OC)CC2)c(C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33593187
49247,CCCOc1ccc(ONC(=O)c2ccccc2OCC)c(NC=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.033197943
49248,CCCOc1ccc(ONC(C)=O)c(NC(=O)CCc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06842871
49249,CCCOc1ccc(OOC)c(N2CCCC(Cc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3216621
49250,CCCOc1ccc(OOCC)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1156148
49251,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)Cc2ccc3c(c2)CCC(=O)C3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06399505
49252,CCCOc1ccc(O[SH](C)(N)=O)c(N2CCC(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22712275
49253,CCCOc1ccc(Oc2ccc(F)cc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11806076
49254,CCOc1cccc2c1CN1CCc3cc(O)c(-c4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64328456
49255,COCCCN1CCN(Cc2cccc(CNC(=O)c3ccc4ccc(OC)cc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.39915442
49256,CON1CCN(CCNC(=O)c2ccc(-c3ccccc3C)c(C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3048954
49257,COOc1ccc(OCCN2CCC(Cc3ccc4ccccc4c3)C(=O)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5035233
49258,COc1cc2c(cc1C)C1Cc3cccc(-c4ccco4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6550353
49259,COc1cc2c(cc1C)C1Cc3cccc(C=Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74718994
49260,COc1cc2c(cc1CNC(=O)Cc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.30671352
49261,COc1cc2c(cc1O)C1Cc3cccc(C(=O)NCc4cccc(F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5356399
49262,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(COC4CCC4)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6619907
49263,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)c3c(C#N)ccc4ccccc34)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55298454
49264,COc1ccc(-c2cc(C(=O)NCCN3CCN(O)CC3)ccc2O)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31756553
49265,COc1ccc(OCCC=NO)cc1N1CCN(c2ccccc2C(F)(F)F)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.33948445
49266,COc1ccc(OCCF)cc1CC1CCN(S(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.15738982
49267,COc1ccc(OCCN2CCC(CCc3ccc4c(c3)NC(=O)CCC4)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5921999
49268,COc1ccc(OCCN2CCC(NC(=O)c3ccccc3C)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4008773
49269,COc1ccc(OCCN2CCCC(Cc3cccc(S(C)(=O)=O)c3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.43471846
49270,COc1ccc(OCCN2CCCC(c3ccccc3)C2)cc1S(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.4658839
49271,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.10824526
49272,COc1cccc(CCc2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7794007
49273,COc1cccc(CN2CCN(CCCOc3ccc4c(C)cc(=O)oc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59130025
49274,COc1ccccc1N1CCN(CCCCOc2ccc(OF)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8777094
49275,COc1ccccc1N1CCN(CCN2CCC(C#Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.91721225
49276,COc1ccsc1-c1cc(C(=O)NCCN2CCN(F)CC2)ccc1F,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3237141
49277,CS(=O)(O)=NCCOc1ccc(OCCCc2ccc3c(c2)NC(=O)CC3)c(C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2500106
49278,CSOc1ccc(OCCC=Cc2cccc(OCC(=O)O)c2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.031107167
49279,Cc1cc(OCCC(O)CCc2ccc3c(c2)NC(=O)CC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16115427
49280,Cc1cc(OCCF)ccc1ON1CCN(Cc2ccccc2S(N)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3670887
49281,Cc1cc(OCCN2CCC(Cc3ccc4cc(F)ccc4c3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.44901434
49282,Cc1cc2c(cc1O)CCN1Cc3c(cccc3NCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4332688
49283,Cc1ccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2Br)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.15740457
49284,CC(C)Oc1ccccc1-c1cc(C(=O)NCCN2CCN(C)CC2)ccc1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35205698
49285,CC(C)c1ccccc1N1CCN(CCN2CCC(c3cccc(F)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7688719
49286,CC1CCN(CCN2CCN(c3ccccc3NC(=O)Cc3cc(O)nc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.31564415
49287,CCCOc1ccc(ON2CCCN(c3ccccc3OCC)C2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25582987
49288,CCCOc1ccc(ON2CCN(C=O)CC2)c(-c2cccc(C(F)(F)F)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2875161
49289,CCCOc1ccc(OS(C)(=O)=O)c(CCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11265548
49290,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC3CCc4ccc(c(c4)CC2)C(=O)NC3=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25056288
49291,CCOc1ccccc1N1CCN(Cc2cc(OCCC(C)=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.70822066
49292,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)C#Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69406265
49293,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4cccnc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7682801
49294,COOc1ccc(OCCN2CCC(C(=O)Cc3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5472149
49295,COc1cc2c(cc1O)C1Cc3cccc(N=CCO)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7589563
49296,COc1cc2c(cc1O)CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7304903
49297,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc(Cl)cc3C#N)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65231687
49298,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cccc(NC(C)C)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49117807
49299,COc1ccc(Cc2cc3c(cc2O)C2Cc4cccc(CO)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76562566
49300,COc1ccc(OCCC(F)(F)F)cc1CC1CCC(NS(=O)(=O)c2ccccc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.16278267
49301,COc1ccc(OCCCc2cccs2)cc1S(=O)(=O)Cc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.15134904
49302,COc1ccc(OCCN2CCC(OCC(C)=O)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.46501854
49303,COc1ccc(OCCN2CCC(c3ccccc3C)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5991065
49304,COc1ccc(OCCN2CCCC(Cc3cccc(F)c3)C2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.54174596
49305,COc1ccc(OCCNC(=O)Cc2ccc3c(c2)CCC(=O)C3)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.037827037
49306,COc1ccc(OCCNC(C)=O)cc1N1CCC(Cc2ccc(SC)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.16277586
49307,COc1ccc(OCCNCC2CCc3ccccc3C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.29627764
49308,COc1ccc(OCCNS(C)(=O)=O)cc1C1CCC(Cc2ccc(F)cc2)C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.15109608
49309,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Oc2ccc(CC3CCCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24203569
49310,COc1ccccc1N1CCN(CCN2CCC(C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.88462526
49311,COc1ccccc1N1CCN(CCN2CCC(n3ccc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8707777
49312,CSOc1ccc(OCCN2CCN(CCc3ccc(F)cc3)C2=O)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.2502857
49313,CSc1ccccc1N1CCN(CCN2CCC(n3c(O)nc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6820595
49314,CSc1ccccc1N1CCN(CCN2CCC(n3cc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7625771
49315,Cc1cc(OCCNCc2cccnc2)ccc1OS(=O)(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.16082439
49316,Cc1cc(OCCNS(=O)(=O)c2ccc(Cl)cc2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.03495059
49317,Cc1cc2c(cc1O)C1Cc3cccc(OC(F)(F)F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70220476
49318,Clc1cccc(CN2CCN(CCCCc3cccc4ccccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7568743
49319,N#Cc1ccc(Cc2cccc3c2CN2CCc4cc(O)c(Cl)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6664426
49320,Nc1cc(-c2ccccc2)cc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78064585
49321,O=C(c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2)N1CCCCC1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.29856396
49322,O=c1cc2c(-c3cccc(CN4CCN(CCCCl)CC4)c3)c(o1)C=CC=C2,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49722397
49323,Oc1cc2c(cc1F)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.808382
49324,Oc1cccc2c1CN1CCc3cc(-c4cc(F)cc(F)c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7308962
49325,CC(=O)N1CCC(Cc2ccc(F)cc2)CN1CCOc1ccc(ON=S(C)(=O)O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27691078
49326,CC(C)(C)OC(=O)Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4312041
49327,CC1(c2cccc(CN3CCN(CCCCl)CC3)c2)Cc2ccccc2NC1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68830556
49328,CCCOc1ccc(OC)c(CN2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6907773
49329,CCCOc1ccc(OF)c(CCN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.89254665
49330,CCCOc1ccc(OF)c(NCc2cccc(OC)c2N2CCOCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16331421
49331,CCCOc1ccc(OOC)c(CCCn2ccc(C(F)(F)F)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12427503
49332,CCCOc1ccc(OOC)c(CNc2ccc(Cl)nc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06067547
49333,CCCOc1ccc(OOC)c(N2CC(CCc3ccc(F)cc3)CC2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23805773
49334,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Oc3ccccc3CC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28729805
49335,CCOc1cccc(CN2CCN(CCCc3ccc(F)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6167658
49336,COC(=O)Nc1cc2c(cc1C)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.33239242
49337,COC1CCN(CCN2CCN(c3ccccc3COc3ccc(C(F)(F)F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73128575
49338,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4ccc(O)cc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7207329
49339,COOc1ccc(OCCF)cc1CCN1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7781717
49340,COOc1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5539066
49341,COOc1ccc(OCCc2ccc(C(C)C)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.08317504
49342,COc1cc2c(cc1CNCc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65602845
49343,COc1cc2c(cc1O)C1Cc3cccc(NCCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51948726
49344,COc1ccc(-c2cccc3c2CN2CCc4cc(O)c(Cl)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69804424
49345,COc1ccc(Br)cc1-c1nc(-c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)cs1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7314742
49346,COc1ccc(C(=O)c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56008774
49347,COc1ccc(COc2cc3c(cc2OC)C2Cc4cccc(Cc5ccccc5)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72205544
49348,COc1ccc(OCCCC2CC(=O)CN2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16721904
49349,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1CN1CCC(C)(O)CS(=O)(=O)C1,[*]CCOc1ccc(O[*])c([*])c1,0.22731128
49350,COc1ccc(OCCSC)cc1C(=O)COc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.19039772
49351,COc1cccc(CNC(=O)c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39854023
49352,COc1ccccc1N1CCN(CCN2CCC(Cc3ccc(F)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8849228
49353,COc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4cccnc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8793068
49354,COc1ccccc1N1CCN(Oc2ccc(OCCc3ccccc3OCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.35832006
49355,COc1cccnc1-c1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79646015
49356,Cc1cc(OCCN2CCC(Oc3ccc(CCF)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5039288
49357,Cc1cc(OCCN2CCC(Oc3ccc4ccccc4c3)CC2)ccc1ON=S(=O)(O)O,[*]CCOc1ccc(O[*])c([*])c1,0.52223414
49358,Cc1ccccc1N1CCN(CCN2CCC(c3ncc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69509864
49359,Clc1ccccc1N1CCN(CCN2CCC(n3ccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.864833
49360,Fc1ccccc1N1CCN(CCN2CCC(c3cccnn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7387588
49361,Fc1cnc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)nc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8320582
49362,O=C(Nc1ccccc1)Nc1cccc(CCCN2CCN(Cc3cccc(Cl)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.36730286
49363,O=C(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1ccc2ccccc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4794243
49364,O=C(O)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6177903
49365,O=C1CCc2ccc(OC3CCN(CCN4CCN(c5ccccc5Cl)CC4)CC3)cc2N1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81339157
49366,O=S(=O)(Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2)C(F)(F)F,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.50943935
49367,Oc1c2ccccc2cn1CCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.77080333
49368,Oc1cc2c(cc1O)C1Cc3cccc(OC4CC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7783321
49369,C=CNCCOc1ccc(OC)c(NS(=O)(=O)c2ccc(C(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05593913
49370,CCCOc1ccc(ON2CCC(C(=O)c3ccc(F)cc3)CC2)c(C(=O)OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16505675
49371,CCCOc1ccc(ON2CCC(c3ccccc3OCC(F)(F)F)CC2)c(OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.41107187
49372,CCCOc1ccc(ON2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c(C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4561458
49373,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCCC(Cc3ccc(C=O)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20211916
49374,CCCOc1ccc(ONS(C)(=O)=O)c(NCCc2ccccc2F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08663675
49375,CCCOc1ccc(OS(C)(=O)=O)c(C(=O)Cc2ccc(OC3CCCCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.058647554
49376,CCCOc1ccc(OS(C)(=O)=O)c(CN2CCC(Oc3ccc(CCF)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.42124107
49377,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3ccc(F)cc3)C2CC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3312883
49378,CCCOc1ccc(OS(C)(=O)=O)c(NCCc2cccc3c2CCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14159852
49379,CCN1CCC(c2ccccc2)CC1c1cc(OCCN(C)C)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.41013542
49380,CN(C)c1ccc(-c2cc3c(cc2Br)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74382275
49381,CNC(C)=Cc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6575776
49382,CNS(=O)CCOc1ccc(OC)c(N2CCC(c3ccc(OCC(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3124913
49383,COC(=O)NOc1ccc(OCCNS(C)(=O)=O)cc1CCCN1CCC(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.47104722
49384,COC1CCN(CCN2CCN(c3ccccc3Nc3cccc4nc(O)ccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4610259
49385,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4cc(O)ncc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.86296797
49386,COCCCN1CCN(Cc2cccc(CC(=O)c3cc4ccccc4s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4954327
49387,COOc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8632381
49388,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(O)(F)F)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.788891
49389,COc1cc2c(cc1OCc1cccc(F)c1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6404856
49390,COc1cc2ccccc2cc1C(=O)NCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.37757373
49391,COc1ccc(CCOc2cc3c(cc2OC)C2Cc4cccc(C)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64634883
49392,COc1ccc(COC(=O)c2cccc3c2CN2CCc4cc(OC)c(OCc5ccccc5)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41681105
49393,COc1ccc(OCCC(=O)COc2ccc(C(F)(F)F)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.023885272
49394,COc1ccc(OCCCS(=O)(=O)c2ccc(F)cc2)cc1NC(=O)C1CCCNC1,[*]CCOc1ccc(O[*])c([*])c1,0.076448634
49395,COc1ccc(OCCS(C)(=O)=O)cc1CC(C)Cc1ccc(OC(F)(F)F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.073478505
49396,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Oc2ccc(C3CCCC(=O)N3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29510117
49397,COc1cccc2c1CN1CCc3cc(-c4cc(C#N)ccc4C)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66376275
49398,COc1ccccc1N1CCN(CCN2CCC(c3ccc4c(n3)CCNC4=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7523324
49399,CSc1ccc(C2CC(C=O)N(CCOc3ccc(OS(C)(=O)=O)c(C)c3)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.1396174
49400,Cc1cc(OCCN2CCC(Oc3ccccc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.594275
49401,Cc1cc(OCCN=S(C)(=O)O)ccc1ONCC1C(=O)CCc2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.17195445
49402,Cc1cc(OCCOS(C)(=O)=O)ccc1ON1CCC(Oc2ccc(CC3CCCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18814535
49403,Cc1cc(OCC[N+](=O)[O-])ccc1ON1CCN(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.38257533
49404,N#Cc1ccc(S(=O)(=O)c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.58333033
49405,O=C1N(CCCN2CCN(Cc3cccc(F)c3)CC2)CCN1c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69656694
49406,O=S1(=O)CCCN1c1cccc(CN2CCN(CCCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.77636933
49407,O=c1ncc(F)cn1C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82248336
49408,CC(=O)Nc1cccc(CN2CCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18861243
49409,CC(=O)Oc1ccc(OCCCN2CCN(c3cccc(C(C)=O)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.7577863
49410,CC1CCN(CCN2CCN(c3ccccc3-c3ncc(-c4ccccc4)s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75107837
49411,CCCC(=O)c1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5814216
49412,CCCOc1ccc(OCNCc2cccs2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10229813
49413,CCCOc1ccc(OCl)c(NCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1279229
49414,CCCOc1ccc(ON2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09410438
49415,CCCOc1ccc(ONC=O)c(N2CCN(c3ccccc3OCCF)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4142956
49416,CCCOc1ccc(ONS(C)(=O)=O)c(NC(=O)COc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.010022332
49417,CCCOc1ccc(OOC)c(CNCc2ccc(Cl)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13916335
49418,CCCc1ccccc1N1CCN(CCN2CCC(Cc3cc4ccccn4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73041487
49419,CCNOC=Nc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.553831
49420,CCOc1ccccc1N1CCN(CCN2CCC(c3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7885568
49421,CCOc1ccccc1N1CCN(CCN2CCC(n3cnc(-c4ccccc4OC)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7825116
49422,COC(=O)Oc1ccc(OCCF)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6189197
49423,COC1CCN(CCN2CCN(c3ccccc3-c3nccs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8228197
49424,COC1CCN(CCN2CCN(c3ccccc3-n3cc(C)c4cc(F)ccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68012625
49425,COCCCCN1CCN(Cc2cccc(OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6760096
49426,COc1cc2c(cc1C(O)Cc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5546005
49427,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(N)=O)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6468196
49428,COc1cc2c(cc1OCc1ccccn1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63814837
49429,COc1ccc(OCCN2CCC(Cc3ccc(F)cc3)CC2)cc1SO,[*]CCOc1ccc(O[*])c([*])c1,0.5508401
49430,COc1ccc(OCCN2CCC(S(=O)(=O)c3ccccc3C(C)C)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.7118482
49431,COc1ccc(OCCN2CCC(c3cc(Cc4ccccc4)on3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4724563
49432,COc1ccc(OCCN2CCOC(CCc3ccccc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.40904343
49433,COc1ccc(OCCNC(C)=O)cc1N1CCCC(c2ccccc2OC2CCC2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2518236
49434,COc1ccc(OCCNCc2ccccc2)cc1C(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.1643973
49435,COc1ccc(OCCS(C)(=O)=O)cc1C(=O)CCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.040344965
49436,COc1cccc(CN2CCN(CCCC3CCC(Nc4ccccc4)CC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58202416
49437,COc1cccc(CN2CCN(CCCC3NS(=O)(=O)Cc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.672571
49438,COc1cccc2c1CN1CCc3cc(Cl)c(Oc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6889228
49439,COc1ccccc1C(=O)NCc1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.38262412
49440,COc1ccccc1N1CCN(CCN2CCC(Cc3ccc(O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79306597
49441,COc1ccccc1N1CCN(CCN2CCC(n3nc(-c4ccc(Cl)cc4)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7874765
49442,COc1ccccc1N1CCN(Oc2ccc(OCCF)cc2C=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.36534438
49443,CSOc1ccc(OCCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.7754951
49444,Cc1cc(OCCC(C)Cc2ccccc2)ccc1ON1CCC(=O)N1,[*]CCOc1ccc(O[*])c([*])c1,0.23850586
49445,Cc1cc(OCCN2CCC(COc3ccc4c(c3)NC(=O)CC4)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.60958105
49446,Cc1cc(OCCN2CCC(Cc3ccc(F)cc3)CC2)ccc1OS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.575574
49447,Cc1cc(OCCN2CCC(c3ccc(S(C)(=O)=O)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5934314
49448,Cc1cc(OCCNCCc2ccc(F)cc2)ccc1ONO,[*]CCOc1ccc(O[*])c([*])c1,0.13714005
49449,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(Cc2ccc3c(c2)CCCC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.31194147
49450,O=S1(=O)Cc2ccccc2C1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7238171
49451,CCCOc1ccc(ON2CCC(c3ccc(F)cc3)CC2)c(C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36520514
49452,CCCOc1ccc(ON2CCC(c3ccccc3OC)CC2)c(N=S(C)(=O)O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26761127
49453,CCCOc1ccc(OS(C)(=O)=O)c(CCc2ccc(OC3CCNC3)c(CCC)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29012367
49454,CCCOc1ccc(OS(C)(=O)=O)c(CSCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09407814
49455,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(c3ccc(OCC)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22890268
49456,CCCOc1ccc(OS(C)(=O)=O)c(NC(=O)COc2ccc(C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0060626217
49457,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(c3ccc(CF)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27547494
49458,CCOc1cc(OCCNC(=O)CSc2ccc(F)cc2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.012459661
49459,CCc1ccc(Cl)cc1S(=O)(=O)Nc1cc(OCCOC)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.06526955
49460,COC(=O)NCc1ccc(Cc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3927428
49461,COCCOc1ccc(ON2CCN(c3ccc(C(F)(F)F)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2828961
49462,COCc1cc2c(cc1Cc1cccc([N+](=O)[O-])c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40814978
49463,COc1cc2c(cc1O)CCN1Cc3c(CNC(=O)c4ccc5[nH]ccc5c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4483148
49464,COc1ccc(Br)cc1C1CCN(CCN2CCN(c3ccccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7733114
49465,COc1ccc(CC2CCN(CCOc3ccc(OS(C)(=O)=O)c(C)c3)C(=O)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.2533477
49466,COc1ccc(CNCOc2ccc(OCCOS(C)(=O)=O)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07062363
49467,COc1ccc(Cc2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7147289
49468,COc1ccc(OCCC(=O)Cc2ccccc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.03628081
49469,COc1ccc(OCCCC(=O)c2ccc(F)c(F)c2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.050676584
49470,COc1ccc(OCCCc2ccccc2)cc1NC(=O)c1ccc(CNC(C)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.042553358
49471,COc1ccc(OCCN2CCC(Cc3cc4c(c(S(C)(=O)=O)c3)CCC(=O)N4)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5074364
49472,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC(=O)C4)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5902187
49473,COc1ccc(OCCN2CCC(F)(C(=O)c3ccc(F)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4417058
49474,COc1ccc(OCCN2CCC(O)(c3ccccc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.46742818
49475,COc1ccc(OCCN2CCC(c3cccc(F)c3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.79034424
49476,COc1ccc(OCCNC(=O)Cc2ccc3c(c2)CCC(=O)C3)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.040212363
49477,COc1ccc(OCCS(C)(=O)=O)cc1CCCCc1ccc2c(c1)CC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.21058522
49478,COc1ccc(OCCSC)cc1NC(=O)c1cccc(CC2CCN(C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18464515
49479,COc1cccc(CN2CCN(CCCNc3ccccn3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.512652
49480,COc1cccc2c1CN1CCc3cc(-c4c[nH]c5ccccc45)c(C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6184999
49481,COc1cccc2c1CN1CCc3cc(Cc4cccc(C#N)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6946146
49482,COc1ccccc1-c1cc(C(=O)NCCN2CCN(C)CC2)ccc1O[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.28979534
49483,COc1ccccc1-c1cc(C(=O)NCCN2CCN([N+](=O)[O-])CC2)ccc1O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30331692
49484,COc1ccccc1C1CCN(CCOc2ccc(ONC(C)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5261025
49485,COc1ccccc1N1CCN(CCN2CCC(COc3ccc(-c4ccncn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8454922
49486,Cc1cc(OCCCc2ccccc2)ccc1ON1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.36281022
49487,Cc1cc(OCCNC(C)c2ccccc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.06933657
49488,Cc1cccc(CN2CCN(CCCC3c4ccccc4CS3(=O)=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5649087
49489,O=C(Cc1cccc(CN2CCN(CCCF)CC2)c1)c1nc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6314002
49490,O=S(=O)(CCCN1CCN(Cc2cccc(F)c2)CC1)c1ccc(Cl)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53961074
49491,Oc1ccccc1N1CCN(CCN2CCC(c3cnccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72203636
49492,CC(C)Oc1cccc2c1CN1CCc3cc(O)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66640824
49493,CCCOc1ccc(OF)c(CC2CCN(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.105956174
49494,CCCOc1ccc(ONS(C)(=O)=O)c(CCN2CCCC(c3ccc(Cl)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5429026
49495,CCCOc1ccc(OOS(C)(=O)=O)c(Cc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09085493
49496,CCCc1ccccc1N1CCN(c2cc(OCCNC=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3396117
49497,CCN1CCN(COc2ccc(OCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.27841383
49498,CCOc1ccccc1-c1cc(C(=O)NCCN2CCN(F)CC2)ccc1F,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32853836
49499,COC1CCN(CCN2CCN(c3ccccc3-c3coc(O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.62866133
49500,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3cc4ccc(O)cc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6727785
49501,COCCCN1CCN(Cc2cccc(-c3ccc4c(c3)OCC(=O)N4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54278797
49502,CON=Cc1cc2c(cc1-c1ccc(COC(F)(F)F)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60863036
49503,COOc1ccc(OCCN2CCCC(Oc3ccccc3C)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.45790282
49504,COc1cc2c(cc1-c1ccc(Oc3ccccc3)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6668609
49505,COc1cc2c(cc1CNc1cccc(C#N)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5962182
49506,COc1cc2c(cc1NS(C)(=O)=O)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55584866
49507,COc1cc2c(cc1OC)C1Cc3cccc(Oc4ccccc4C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71060777
49508,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(-c4c(OC)cccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6379091
49509,COc1ccc(CC2CCN(Oc3ccc(OCCS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.18224405
49510,COc1ccc(OCCC2CCC[SH](Cc3ccc(OC4CCNC4)cc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.21409091
49511,COc1ccc(OCCCN2CCN(c3ccccc3OC)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.9413728
49512,COc1ccc(OCCN2CCC(CCc3ccc(F)cc3)CC2)cc1S(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5412286
49513,COc1ccc(OCCSC)cc1CCCc1ccc2c(c1)CCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.2983611
49514,COc1cccc(CN2CCN(CCCCCNC(=O)c3ccc4ccccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61865824
49515,COc1cccc(OCc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8075076
49516,COc1ccccc1-c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7489232
49517,COc1ccccc1C1CCN(Oc2ccc(OCCNS(C)(=O)=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.34502515
49518,COc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccco4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78811675
49519,COc1ccccc1N1CCN(CCN2CCC(c3nc(C(=O)N(C)C)cs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7486228
49520,CS(=O)(=O)NOc1ccc(OCCF)cc1CCN1CCCc2cc(S(C)(=O)=O)ccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.346519
49521,CSOc1ccc(OCCN2CCN(c3ccc(C(C)=O)c(C(F)(F)F)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5091254
49522,Cc1cc(OCCCC2CCN(S(C)(=O)=O)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.18822424
49523,Cc1cc(OCCCCSc2ccccc2OC2CCCC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.12540798
49524,Cc1cc(OCCN2CCC(Cc3ccc(F)cc3)CC2)ccc1OCS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5385056
49525,Cc1cc2c(cc1O)C1Cc3cccc(Cc4ccccc4Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5797743
49526,Cc1ccccc1-c1cc(C(=O)NCCN2CCN(O)CC2)ccc1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2865684
49527,O=C(NCCN1CCN(F)CC1)c1ccc(F)c(-c2ccccc2S(=O)(=O)O)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35056925
49528,O=C(Nc1ccccc1N1CCN(CCN2CCC(O)CC2)CC1)c1cc2ccccc2cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.40549272
49529,O=C1CCc2ccc(OCc3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)cc2N1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73027235
49530,O=c1ccccn1C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81401324
49531,Oc1ccc2c(Oc3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)cccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77630955
49532,CC(=O)c1ccc(C(=O)NCCOc2ccc(OOS(C)(=O)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.025741737
49533,CCCOc1ccc(OCN2CCN(CCc3cccc(OC)c3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5144301
49534,CCCOc1ccc(ON2CCN(C(C)=O)C[SH]2CC)c(-c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13050324
49535,CCCOc1ccc(ONCCc2cccc3c2NC(=O)CC3)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16352886
49536,CCCOc1ccc(ONS(C)(=O)=O)c(CCCc2ccc(OC3CCCCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13683815
49537,CCCOc1ccc(ONS(C)(=O)=O)c(NC(C)COc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22622186
49538,CCCOc1ccc(OOC)c(CC(=O)COc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19060558
49539,CCCOc1ccc(OOC)c(CN2CCN(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8141416
49540,CCCOc1ccc(OS(N)(=O)=O)c(N2CCCC(CCc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23709664
49541,CCCOc1ccc(OSC)c(N2CCC(Nc3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25504678
49542,CCOc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72024107
49543,CCc1cc2c(cc1-c1ccccn1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61549056
49544,COC(=O)c1cc2c(cc1OC)CCN1Cc3c(F)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5224609
49545,COC1CCN(CCN2CCN(c3ccccc3-c3cc(C(F)(F)F)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8317566
49546,COCCCN1CCN(Cc2cccc(-c3cccn3C=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5699889
49547,COCCCN1CCN(Cc2cccc(CNC(=O)c3ccccc3C3CCCCC3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4424264
49548,COCCOc1ccc(OC(C)COc2ccccc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14607188
49549,COCCOc1ccc(OC)c(-c2ccccc2F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15654585
49550,COCc1cccc2c1CN1CCc3cc(OC)c(OCc4cccc(OC)c4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6645858
49551,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccccc1F,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32110423
49552,COc1cc(CO)ccc1-c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6698901
49553,COc1cc2c(cc1-c1cccc([N+](=O)[O-])c1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3603422
49554,COc1cc2c(cc1C)C1Cc3cccc(C#N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76452607
49555,COc1cc2c(cc1OC)C1Cc3cccc(Cc4cccc(OC(F)(F)F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6100368
49556,COc1ccc(OCCN)cc1CC(=O)Nc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.006004778
49557,COc1ccc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5425712
49558,COc1ccc(OCCNC(=O)CCc2ccccc2)cc1N1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.17698082
49559,COc1cccc(C(=O)c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53803694
49560,COc1cccc(CN2CCN(CCCCC3Cc4ccccc4NC3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.514583
49561,CS(=O)(=O)NOc1ccc(OCCF)cc1CCCc1ccc(C(=O)C2CCNC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.09359474
49562,Cc1cc(OCCF)ccc1ON1CCN(CCN2Cc3ccccc3C2)C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.64760625
49563,Cc1cc(OCCN2CCN(C)CC2)ccc1Oc1ccc(OCCF)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.48520315
49564,Cc1cc(OCCNC(=O)COc2ccc(C(F)(F)F)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.010559591
49565,Cc1cc(OCCNC(=O)c2ccc(F)cc2)ccc1ON(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.020537922
49566,Cc1cc(OCCNCc2cccc(OCC(F)(F)F)c2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.14556448
49567,Cc1cc(OCCc2ccc(F)cc2)ccc1O[N+](=O)[O-],[*]CCOc1ccc(O[*])c([*])c1,0.044080343
49568,O=C(NC1CCN(CCN2CCN(c3ccccc3O)CC2)CC1)c1cccc2ccc(O)nc12,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7688056
49569,O=C(Nc1cc(Cl)ccc1Cl)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4183783
49570,O=S1(=O)Cc2ccccc2N1CCCCN1CCN(Cc2cccc(O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.81334275
49571,O=[N+]([O-])C1CCN(CCN2CCN(c3ccccc3S(=O)(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.54424745
49572,Oc1cc2c(cc1-c1ccccc1)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6780987
49573,C=NCCOc1ccc(OC)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7679524
49574,CC(=O)NCCCN1CCN(Cc2cccc(N3C(=O)c4ccccc4C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.38011476
49575,CC1CCN(CCN2CCN(c3ccccc3-c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78675246
49576,CCCOc1ccc(OOC)c(N2CCN(c3cccc(C(C)C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3274244
49577,CCCOc1ccc(OS(C)(=O)=O)c(CCCc2ccc(C)c3c2C=CC=C(C=O)S3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.073721014
49578,CCCOc1ccc(OS(N)(=O)=O)c(NC(=O)COc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.007824296
49579,CCOCCCN1CCN(Cc2cccc(-c3cc4ccccc4cc3O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5764172
49580,CCOc1cc2c(cc1O)CCN1Cc3c(CC)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6755971
49581,COC1CCN(CCN2CCN(c3ccccc3-n3cc(O)c4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68078685
49582,COC1CCN(CCN2CCN(c3ccccc3N3CCc4cc(C#N)ccc4C3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79204357
49583,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc(-c4cc5ccccc5cn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.878142
49584,COCCOc1ccc(OC)c(N2CCC(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37400243
49585,COc1cc2c(cc1-c1ccn(C)c1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.672847
49586,COc1cc2c(cc1OC)C1Cc3cccc(OCc4ccc(N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7194789
49587,COc1cc2c(cc1OC)CC(CNCc1cc(OCCC(C)=O)ccc1ONS(=O)(=O)O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.22430705
49588,COc1ccc(CCc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7622401
49589,COc1ccc(OCCC(C)=O)cc1N1CCCC(C(=O)c2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2623952
49590,COc1ccc(OCCC(O)CCc2ccc3c(c2)CC(=O)CC3)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.18184495
49591,COc1ccc(OCCCOc2ccc(Cl)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.10125052
49592,COc1ccc(OCCF)cc1CNC(=O)c1ccc(SC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.029144045
49593,COc1ccc(OCCN2C=CC(OC3=CC=C4CCC4CCCCC3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.31375358
49594,COc1ccc(OCCN2CCC(Oc3ccc(F)cc3)CC2)cc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.7234084
49595,COc1ccc(OCCN=S(C)(=O)O)cc1NCCOc1cccc2c1CCC(=O)C2,[*]CCOc1ccc(O[*])c([*])c1,0.16832659
49596,COc1ccc(OCCNCc2ccc(Cl)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16318671
49597,COc1ccc(OCCS(=O)(=O)c2ccc(C(C)=O)s2)cc1N1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.20360075
49598,COc1cccc2c1CN1CCc3cc(NC(=O)Nc4ccccc4Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3446444
49599,COc1cccc2c1CN1CCc3cc(NC(=O)c4cccs4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.33629397
49600,CSOc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCC4)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6197893
49601,CSc1ccccc1N1CCN(CCN2CCC(n3c(O)cc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6594178
49602,Cc1cc(OCCN2CCC(Cc3ccc(F)cc3)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.49419445
49603,Cc1cc(OCCN2CCC(Cc3ccc4ccccc4c3)NC2=O)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.26264232
49604,Cc1cc(OCCN2CCCC2COc2ccc3c(c2)NC(=O)CC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.39833534
49605,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCCC(c2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2339699
49606,Cc1ccc(N2CCN(Oc3ccc(OCCCF)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.16741702
49607,Cc1cccc2c1CN1CCc3cc(O)c(N(C)C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60908675
49608,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)N1CCCCC1c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5093942
49609,O=C(CCCN1CCN(Cc2cccc(F)c2)CC1)c1cccs1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6443053
49610,O=C(NCCN1CCN([N+](=O)[O-])CC1)c1ccc(O)c(-c2cccc(Cl)c2Cl)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.25321048
49611,C#Cc1ccc(C(=O)Nc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.47183684
49612,C=CC(=O)Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4286104
49613,CC(=O)NOc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.020879414
49614,CC(C)C1CCN(CCN2CCN(c3ccccc3-n3c(O)cc4ccccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76420546
49615,CCCOc1ccc(OCCCc2ccc(F)cc2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.101379074
49616,CCCOc1ccc(OCCCc2ccccc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15722361
49617,CCCOc1ccc(OCN2CCCCC2)c(CS(=O)(=O)c2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22270407
49618,CCCOc1ccc(OF)c(CN2CCN(c3ccccc3OC)C(=O)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32098976
49619,CCCOc1ccc(ON2CCC(Oc3ccccc3CC)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36404446
49620,CCCOc1ccc(OOC)c(N2CCN(c3ccccc3OC)CCC2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4788452
49621,CCCOc1ccc(OSC)c(CCNC(=O)c2cccc(OC)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.023722868
49622,CCc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7612323
49623,COC1CCN(CCN2CCN(c3ccccc3-c3ncc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81363183
49624,COC1CCN(CCN2CCN(c3ccccc3C3CCc4cc(O)ccc4O3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7533483
49625,COC1CCN(CCN2CCN(c3ccccc3CNc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.64312744
49626,COCCCN1CCN(Cc2cccc(-c3ccc(-c4ccccc4OC)o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55728406
49627,COCCOc1ccc(OCN2CCN(c3cccc(C(C)C)c3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.43223912
49628,COOc1ccc(OCCNCc2ccccc2)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.32066202
49629,COc1cc2c(cc1O)CCN1Cc3c(C=[N+](C)O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8029669
49630,COc1cc2c(cc1O)CCN1Cc3c(CNc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56814665
49631,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72736824
49632,COc1cc2c(cc1OC(C)(C)C)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7167658
49633,COc1cc2c(cc1OC)C1Cc3cccc(OCc4cccc(C(F)(F)F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7165444
49634,COc1cc2c(cc1Oc1cccc(CO)c1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6212476
49635,COc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c(C)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63661224
49636,COc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1cc(C)ccc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.15116997
49637,COc1ccc(OCCC(=O)N2CCCCC2)cc1CN1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24680546
49638,COc1ccc(OCCCNS(=O)(=O)c2ccccc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13122469
49639,COc1ccc(OCCNCC2CCc3ccccc3C2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.38668135
49640,COc1ccc(OCCS(C)(=O)=O)cc1NC(=O)CCc1cccc2c1CCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.024345774
49641,COc1cccc(CN2CCN(CCCNc3c(=O)cccc4ccccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3991744
49642,COc1cccc(CN2CCN(CCCn3ccc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6760161
49643,COc1cccc(COC(=O)c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5242122
49644,COc1ccccc1C1CCN(CCOc2ccc(ONS(C)(=O)=O)c(C)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.55087817
49645,CSc1cc(OCCCOc2ccccc2C2CCNCC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2093535
49646,CSc1ccc(CC2CCN(Cc3cc(OCCF)ccc3ON=S(C)(=O)O)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.34867463
49647,Cc1cc(OCCNCc2cccs2)ccc1OS(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.059101593
49648,Cc1cccc(CN2CCN(CCCc3ccccc3N3CCCS3(=O)=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6199886
49649,Cc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6549981
49650,FCCCN1CCN(Cc2cccc(-c3cc(-c4ccccc4)cs3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6890202
49651,O=C(Nc1cccc(CN2CCN(CCC[N+](=O)[O-])CC2)c1)c1cccc2ccccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.36578298
49652,c1ccc(OCCCN2CCN(Cc3cccc(Cc4ccc5[nH]ccc5c4)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.704575
49653,CCCOc1ccc(OC)c(CN2CCN(CC(=O)Nc3cccc(C(F)(F)F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05423769
49654,CCCOc1ccc(OC)c(NC(=O)c2ccc(Cl)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0229209
49655,CCCOc1ccc(ON2CCC(C(=O)c3ccc(F)cc3)CC2)c(N=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20484518
49656,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(Oc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3540774
49657,CCCOc1ccc(OS(C)(=O)=O)c(CC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08380021
49658,CCCOc1ccc(OS(C)(=O)=O)c(CCOc2ccccc2F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13389912
49659,CCOc1ccc(C2CCN(c3cc(OCCS(N)(=O)=O)ccc3OC)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.2662328
49660,CCOc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75796664
49661,COC(=O)CCOc1ccc(OC)c(N2CCCC(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16009589
49662,COC(=O)Cc1cc2c(cc1OC)CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3734057
49663,COC(=O)c1ccccc1N1CCN(CCN2CCC(Cc3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6567011
49664,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccc(-c4ccc(O)cc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.47561562
49665,CONCCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6746834
49666,COOc1ccc(OCCCN2CCc3ccccc3C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.61788195
49667,COc1cc(C(=O)NCCN2CCN(O)CC2)ccc1-c1ccccc1O[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27011445
49668,COc1cc2c(cc1-c1c(OC)cccc1OC)CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73040533
49669,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(OC(C)=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5339742
49670,COc1ccc(OCCC(=O)COc2ccccc2)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.65003854
49671,COc1ccc(OCCC(=O)N2C=CN(C(C)=O)CC2)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.1270854
49672,COc1ccc(OCCCC(=O)c2ccc(SC)cc2)cc1NC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.028041482
49673,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC(C)C4)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.46355477
49674,COc1ccc(OCCN=S(C)(=O)O)cc1C1C(=O)c2ccccc2CC2CCC(=O)NC21,[*]CCOc1ccc(O[*])c([*])c1,0.23188193
49675,COc1ccc(OCCNC(=O)c2ccc(C3CC3)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.07587746
49676,COc1ccc(OCCNS(C)(=O)=O)cc1N1C(=O)CC(Cc2ccc(F)cc2)Cc2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.18257555
49677,COc1cccc2c1CN1CCc3cc(-c4ccccc4CO)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6851052
49678,COc1cccc2c1CN1CCc3cc(C=[N+]([O-])c4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6020702
49679,COc1ccccc1-c1cc(C(=O)NCCN2CCN(N=S(C)(=O)O)CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33679354
49680,COc1ccccc1C1=CC(=O)N(c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)C1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7490251
49681,COc1ccccc1N1CCN(CCN2CCC(c3ccc(Cl)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8252382
49682,Cc1cc(OCCC(=O)COc2ccc3c(c2)NCCC3)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.11442377
49683,Cc1cc(OCCC(C)COc2ccccc2)ccc1OCN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.25186214
49684,Cc1cc(OCCCCCc2ccc(F)cc2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10403346
49685,Cc1cc(OCCCN2CCCC(Cc3ccc(F)cc3)C2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.5775231
49686,Cc1cc(OCCCl)ccc1ONC(=O)COc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.030511478
49687,Cc1cc(OCCN2CCC(COc3ccc4c(c3)NC(=O)CC4)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5760188
49688,Cc1cc(OCCN2CCC(Cc3ccccc3)CC2)ccc1OOS,[*]CCOc1ccc(O[*])c([*])c1,0.58293736
49689,Cc1cc(OCCNS(=O)(=O)c2ccc(F)cc2)ccc1ON1CCNCC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.13351323
49690,Clc1cccc(CN2CCN(CCCCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.78865826
49691,Clc1ccccc1N1CCN(CCN2CCC(CCc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78880125
49692,Oc1cccc2c1CN1CCc3cc(-c4ccc(F)c(F)c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6769875
49693,CC1CCN(CCN2CCN(c3ccccc3NC(=O)NCc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.41739428
49694,CC=N[N+](O)c1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62343407
49695,CCCOc1ccc(OCCCc2cccnc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10965923
49696,CCCOc1ccc(OCN2CCN(c3ccccc3OCC)CC2)c(NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5919001
49697,CCCOc1ccc(ON2CCC(C(=O)O)=Cc3ccccc32)c([SH]2CCCCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.110302255
49698,CCCOc1ccc(ON2CCC(C(=O)c3ccc(F)cc3)CC2)c(OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21203978
49699,CCCOc1ccc(ON2CCN(c3ccc(OCCF)cc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29331484
49700,CCCOc1ccc(ONC=O)c(N2CCN(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29161862
49701,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCCC(Cc3cc4c(cc3OC)NC(=O)CC4)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19528867
49702,CCCOc1ccc(ONS(C)(=O)=O)c(NC(=O)COc2ccc(CCCF)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0093419375
49703,CCCOc1ccc(OOC)c(N2CCCN(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09135946
49704,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(CCc3cccc4c3NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38159657
49705,CCCOc1ccc(OSC)c(CN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.46848074
49706,CCCOc1ccc(Oc2ccc(F)cc2)c(CN(C)S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09589861
49707,CCOC1CCN(CCN2CCN(c3ccccc3S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.59482944
49708,COCCCN1CCN(Cc2cccc(-c3ccc4nc(S)oc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6058229
49709,COCCCN1CCN(Cc2cccc(C(=O)NC3CCCc4c(O)cccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.45471773
49710,COCCOc1ccc(OC)c(C(=O)Nc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.014723412
49711,COc1cc2c(cc1-c1cccc3cccc(OC)c13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7479943
49712,COc1cc2c(cc1O)C1Cc3cccc(C(C)CO)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8440729
49713,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)N(C)OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49309567
49714,COc1ccc(CC2CCCN(c3cc(OCCS(N)(=O)=O)ccc3OC)C2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.1973341
49715,COc1ccc(OCCC(=O)CCc2ccc3c(c2)NC(=O)CC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.18178554
49716,COc1ccc(OCCCN2CCC(c3cccc(C(F)(F)F)c3)CC2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.67395234
49717,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2096206
49718,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1CNS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.021244714
49719,COc1cccc(CN2CCN(CCCCc3cccc4ccc(=O)oc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5867032
49720,COc1cccc2c1CN1CCc3cc(C)c(Cc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60875654
49721,COc1ccccc1C(=O)c1ccc(C(=O)NCCN2CCN(O)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3591907
49722,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccco3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82612383
49723,CSc1ccc(C(=O)CCCOc2ccc(ON3CCCCC3)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.09260986
49724,CSc1ccc(C(=O)NCCOc2ccc(ON(C)C)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.017851265
49725,Cc1cc(OCCN2CCC(c3ccccc3)C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.487367
49726,Cc1ccccc1-c1cc(C(=O)NCCN2CCN(Cl)CC2)ccc1Br,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2824169
49727,ClCCCN1CCN(Cc2cccc(Oc3ccc4c(c3)COCC4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5996917
49728,Clc1cccc(CN2CCN(CCCCc3cccc(-c4cccs4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.75744116
49729,Fc1ccc(OCCCN2CCN(Cc3cccc(Cl)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.75348383
49730,N#CC1CCN(CCN2CCN(c3ccccc3C3CCc4ccc(O)cc4C3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7408655
49731,O=C1Nc2ccccc2CC1CCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49929136
49732,CC(=O)NOc1ccc(OCCN2CCC(Cc3ccc(S(C)(=O)=O)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.4044852
49733,CCCCC1CCCN(CCOc2ccc(OS(C)(=O)=O)c(S(C)(=O)=O)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.37122265
49734,CCCOc1ccc(ON(C)C)c(N2CCN(c3ccccc3OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3387929
49735,CCCOc1ccc(ONS(=O)(=O)c2cc(C(C)C)ccc2OC)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.061502997
49736,CCCOc1ccc(ONS(C)(=O)=O)c(NCC2C(=O)CCc3ccc(CC(C)=O)cc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19091928
49737,CCCOc1ccc(OOC)c(CN2CCN(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.84947443
49738,CCCOc1ccc(OOC)c(N2CCC(COc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4182366
49739,CCCOc1ccc(OS(C)(=O)=O)c(NCC2CCC(Oc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13925718
49740,CCCOc1ccc(OS(N)(=O)=O)c(N2CCCC(c3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24417506
49741,CCOCCCN1CCN(Cc2cccc(Cc3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6416205
49742,CCOc1ccccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29785052
49743,CNC(=O)Oc1ccc(OCCCS(=O)(=O)c2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.02599927
49744,CNCCOc1ccc(ONCCc2ccccc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0946335
49745,COOc1ccc(OCCc2ccccc2OCC(F)(F)F)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.1566533
49746,COc1cc2c(cc1-c1c(C)cccc1C)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72867334
49747,COc1cc2c(cc1OC([O-])(F)F)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77378637
49748,COc1cc2c(cc1OC)C1Cc3cccc(C#Cc4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7499208
49749,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)NOCc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45215863
49750,COc1cc2c(cc1OC)C1Cc3cccc(C=NCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.719394
49751,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)OCC(=O)N4)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.49829876
49752,COc1ccc(OCCN2CCC(c3ccc(F)cc3)CC2)cc1S(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.6231133
49753,COc1ccc(OCCNC=O)cc1N1CCC(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3520776
49754,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(c2ccccc2C2CCCCC2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25660205
49755,COc1cccc(CN2CCN(CCCc3cccc4c3-c3ccccc3C4=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55774885
49756,COc1cccc2c1CN1CCc3cc(OC(=O)C4CCCCC4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48871252
49757,COc1cccc2c1CN1CCc3cc(OC(C)(C)C)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74922246
49758,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(OC)CC2)cc1OCCF,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.39042816
49759,CSc1cccc(C2CCN(CCOc3ccc(ON=S(C)(=O)O)c(C)c3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.47859427
49760,Cc1cc(OCCNC(=O)CCCc2ccccc2)ccc1ON1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.06950601
49761,Cc1cccc(CN2CCN(CCC[N+](=O)[O-])CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.43864673
49762,Cc1ccccc1N1CCN(CCN2CCC(c3cc(-c4cccc(F)c4)ccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73208773
49763,FC(F)(F)c1cccc(CN2CCN(CCCCc3ccco3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.684045
49764,Fc1ccc(C(F)(F)F)c(C2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8201636
49765,O=C(CCCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1nc2ccccc2s1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6898341
49766,O=C(Cc1ccccc1)Nc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.24975994
49767,O=CNc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5158274
49768,O=Cc1ccn(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84101075
49769,OC1=Nc2ccccc2C(c2cccc(CN3CCN(CCCF)CC3)c2)C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5462874
49770,Oc1nc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)co1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7653895
49771,CCCOc1ccc(ON)c(C(=O)CCc2cc3ccccc3o2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.069559015
49772,CCCOc1ccc(ON=S(C)(=O)O)c(CN2CCc3ccccc3C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2324845
49773,CCCc1cccc2c1CN1CCc3cc(O)c(C)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65223885
49774,CCNC(=O)Oc1cc2c(cc1Cl)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46811786
49775,CCOc1cc2c(cc1OC)CCC(CNOc1ccc(OCCNS(C)(=O)=O)cc1C)C2,[*]CCOc1ccc(O[*])c([*])c1,0.28598285
49776,CCc1ccc(CS(=O)(=O)NCCOc2ccc(ONS(C)(=O)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.08901437
49777,CCc1ccccc1OC1CCCN(c2cc(OCCS(C)(=O)=O)ccc2OC)C1,[*]CCOc1ccc(O[*])c([*])c1,0.2504598
49778,COC(=O)c1cc2c(cc1O)CCN1Cc3c(Cc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47234786
49779,COC1CCN(CCN2CCN(c3ccccc3-c3ccco3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7173232
49780,COC1CCN(CCN2CCN(c3ccccc3NC(=O)Nc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.34178373
49781,COCCOc1ccc(OF)c(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6497058
49782,COCCOc1ccc(OOCCF)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10498552
49783,COc1cc2c(cc1-c1cccc(CC#N)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67937565
49784,COc1cc2c(cc1C#Cc1cccc(C#N)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63096994
49785,COc1cc2c(cc1O)CCN1Cc3c(CNC(=O)COc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.33493203
49786,COc1cc2c(cc1O)CCN1Cc3c(cccc3C3CCCN(CCc4ccccc4)C3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7746545
49787,COc1cc2c(cc1OC)C1Cc3cccc(-c4cc(C#N)ccc4[N+](=O)[O-])c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4900122
49788,COc1cc2c(cc1OC)CC(CN(C)c1cc(OCCS(N)(=O)=O)ccc1OC)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.4613911
49789,COc1ccc(C(=O)NCCN2CCN(c3ccccc3N(C)C)CC2)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.7308917
49790,COc1ccc(N2CCN(CCNC(=O)c3ccc(OC)c(OC)c3)CC2)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.67668694
49791,COc1ccc(OCCCCCCc2ccc(F)cc2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.119835
49792,COc1ccc(OCCN2CCC(CCc3ccccc3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6706622
49793,COc1ccc(OCCN2CCC(c3cccs3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.67826384
49794,COc1ccc(OCCS(C)(=O)=O)cc1CC(C)Cc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.093947455
49795,COc1ccc(OCCS(C)(=O)=O)cc1CCOc1ccc(C(C)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.021830635
49796,COc1ccc(OCCS(C)(=O)=O)cc1OC1CCC(CN2CCCCC2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24671005
49797,COc1cccc(-c2cn(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)c(O)n2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75538635
49798,COc1ccccc1N1CCN(CCN2CCC(NC(=O)NCc3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8919063
49799,COc1ccccc1N1CCN(CCOc2ccc(OC=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8383201
49800,COc1ccccc1N1CCN(CCOc2ccc(ONC=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.80037695
49801,COc1ccccc1N1CCOC1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5536511
49802,CS(=O)(=O)NOc1ccc(OCCF)cc1CCCN1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.6008124
49803,Cc1cc(OCCN2CCc3ccccc3CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.52480656
49804,Cc1cc(OCCNS(=O)(=O)c2cccc(F)c2)ccc1ON1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.21638633
49805,Cc1cccc(CN2CCN(CCCCc3ccc(C(C)(C)C)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7243528
49806,Cc1ccccc1N1CCN(CCN2CCC(c3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6942742
49807,O=C(Nc1cccc(CCCN2CCN(Cc3cccc(Cl)c3)CC2)c1)C1CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.37886074
49808,O=C(OC1CCCC1)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45284837
49809,O=C1NCCc2cc(Oc3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)ccc21,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71495456
49810,O=S1(=O)Nc2ccccc2-c2c(-c3cccc(CN4CCN(CCCCl)CC4)c3)cccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5468238
49811,C#Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7045113
49812,C#Cc1cccc(-c2cc3c(cc2OC)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7071459
49813,C=CCN1CCCC1C(=O)Nc1cc(OCCF)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.13826582
49814,CC1CCN(CCN2CCN(c3ccccc3C(=O)c3cc(O)nc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.58640766
49815,CCCCN1CCN(Cc2cccc(-c3cccc4ccc(=O)oc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.45066205
49816,CCCOc1ccc(OS(C)(=O)=O)c(CF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.100174546
49817,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3ccc4c(c3)CCCS4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3752086
49818,CCCOc1ccc(O[SH](C)(=O)O)c(N2CCC(CC(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27483228
49819,CCCOc1ccc(Oc2cccc(C(C)C)n2)c(NC(=O)OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.013372966
49820,CCOc1cc2c(cc1O)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73882574
49821,CNCc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7091174
49822,COC(=O)NCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.54612774
49823,COCCCN1CCN(Cc2cccc(N3Sc4ccccc4CCC3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69194883
49824,COc1cc2c(cc1O)C1Cc3cccc(-c4c[nH]c5ccc(CO)cc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5572365
49825,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)Nc3ccccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.32049584
49826,COc1ccc(OCCC(C)=O)cc1NC(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.014269018
49827,COc1ccc(OCCCS(=O)(=O)c2cc(F)ccc2OC)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10124167
49828,COc1ccc(OCCCS(N)(=O)=O)cc1N1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.30202752
49829,COc1ccc(OCCCl)cc1CN1CCCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7792374
49830,COc1ccc(OCCCl)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.856347
49831,COc1ccc(OCCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6099712
49832,COc1cccc(CN2CCN(CCCCc3ccc(C=Cc4ccccc4)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.76339674
49833,COc1cccc2c1CN1CCc3cc(-c4cccc(CO)c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61988604
49834,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccnc4ccccc4c3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7518722
49835,COc1ccccc1N1CCN(CCN2CCC(c3ccc(C(=O)NO)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80063874
49836,COc1ccccc1N1CCN(CCN2CCC(n3ccc(C(N)=O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7931142
49837,COc1ccccc1N1CCN(CCN2CCC(n3ccccc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87799484
49838,CSOc1ccc(OCCN2CC(Cc3ccc4ccccc4c3)CCO2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.23132646
49839,CSOc1ccc(OCCNCCc2ccco2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.15797925
49840,CSc1ccc(C2CCN(Oc3ccc(OCCS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.21441573
49841,Cc1cc(OCCC(O)CCc2ccc3c(c2)NC(=O)CC3)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.15043007
49842,Cc1cc(OCCNCC2CCc3ccc(S(C)(=O)=O)cc3C2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.18534212
49843,Cc1cc(OCCNCc2cccs2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.12851134
49844,Cc1cc(OCCOS(C)(=O)=O)ccc1ON1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2650172
49845,Fc1ccccc1N1CCN(CCN2CCC(c3cnc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7267972
49846,O=C(NCC1CCCCC1)Oc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34137568
49847,O=C(Nc1ccccc1)Oc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.31926984
49848,O=S1(=O)Cc2ccccc2N1Cc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67362773
49849,O=[N+]([O-])C1CCN(CCN2CCN(c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.57467246
49850,O=c1[nH]c(=O)n(Cc2cccc(CN3CCN(CCCCl)CC3)c2)cc1F,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5891751
49851,O=c1c2ccccc2ncn1-c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66374123
49852,Sc1cc(-c2cccc(CN3CCN(CCCCl)CC3)c2)c2ccccc2n1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55198014
49853,CCCOc1ccc(OCCCc2ccccc2)c(CNc2cccc(OC)c2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.167984
49854,CCCOc1ccc(OCN2CCC(c3ccccc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.50296426
49855,CCCOc1ccc(OF)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7959116
49856,CCCOc1ccc(OF)c(NC2CCN(CC(=O)OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2520788
49857,CCCOc1ccc(OOC)c(N2CCN(C(c3ccccc3)c3cccc(OC)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30292603
49858,CCCOc1ccc(OS(C)(=O)=O)c(-c2c(OCC3CCCCC3)ccc3c2CCC(=O)N3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13188332
49859,CCCOc1ccc(O[SH](C)N)c(-c2cccc(CCF)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12068419
49860,CCN(C)C(=O)NCc1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.42168728
49861,CCN1C(=O)CCc2ccc(OCC(=O)c3cc(OCCS(C)(=O)=O)ccc3OC)cc21,[*]CCOc1ccc(O[*])c([*])c1,0.22543241
49862,CCOc1ccc(C2CCN(c3cc(OCCNS(C)(=O)=O)ccc3OC)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.3469651
49863,CCOc1ccccc1N1CCN(Oc2ccc(OCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.32136604
49864,CNC(=O)CCOc1ccc(OC)c(-c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.011381103
49865,COC1CCN(CCN2CCN(c3ccccc3-c3cc(O)nc(-c4cccc(O)c4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7404743
49866,COC1CCN(CCN2CCN(c3ccccc3CN3C(=O)c4ccccc4C3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6659635
49867,COC1CCN(CCN2CCN(c3ccccc3S(=O)(=O)N(C)c3cccnc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7200583
49868,COCCCN1CCN(Cc2cccc(N3C(=O)c4ccccc4Nc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5531632
49869,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccccc1CO,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3105263
49870,COc1cc2c(cc1-c1cccc(N(C)C)c1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6856783
49871,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCCCF)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7515395
49872,COc1cc2c(cc1OC)C1Cc3cccc(C(C)CO)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78279155
49873,COc1cc2c(cc1OC)C1Cc3cccc(Cc4c(OC)cccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74006826
49874,COc1cc2c(cc1OC)CC(NCCOc1ccc(ONS(C)(=O)=O)c(C)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.42250353
49875,COc1ccc(CCCc2cc(OCCN=S(C)(=O)O)ccc2OC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.059137292
49876,COc1ccc(OCCNCc2cccs2)cc1C(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07383873
49877,COc1ccccc1CC1CCN(CCOc2ccc(OS(=O)(=O)O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.51848316
49878,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3cccc(O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8358441
49879,CSc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(-c4ccccc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7676927
49880,Cc1cc(OCCN2CCC(=O)CC2)ccc1ONCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.3719683
49881,Cc1cc(OCCN2CCN(CCc3ccc(F)cc3)CC2=O)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.31711453
49882,Cc1cc(OCCN2CCN(CCc3ccccc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4308367
49883,Cc1cc(OCCN2CCN(Cc3ccc(F)c(F)c3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.38329425
49884,Cc1cc(OCCN2CCOC(CCc3ccccc3)C2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.45368117
49885,Cc1cc(OCCNCc2cc3c(s2)CC=CC=C3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.048742577
49886,Cc1ccnc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66578937
49887,Clc1cccc(CN2CCN(CCCc3cc(-c4cccs4)no3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6931056
49888,Nc1cc2c(cc1O)C1Cc3cccc(Br)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.796469
49889,O=S(=O)(Cc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)C(F)(F)F,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63963735
49890,OC(CCCN1CCN(Cc2cccc(Cl)c2)CC1)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60062456
49891,Oc1cc2c(cc1-c1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76357496
49892,Oc1cc2c(cc1-c1cccs1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7013934
49893,Oc1cc2ccccc2n1-c1cccc(CN2CCN(CCCBr)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6791631
49894,Oc1ccc(Cc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77079296
49895,CC(=O)NCCOc1ccc(ON2CCN(c3ccc(Cl)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18727148
49896,CC1CCN(CCN2CCN(c3ccccc3-c3cccnn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7791504
49897,CCCCN1CCN(Cc2cccc(-c3cccc(-c4ccccc4)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6109562
49898,CCCOc1ccc(ON2CCN(C=O)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25143373
49899,CCOc1cccc(CN2CCN(CCCCCc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7286172
49900,CNS(=O)Oc1ccc(OCCNCc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.3014966
49901,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(Cl)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8227287
49902,COC1CCN(CCN2CCN(c3ccccc3-c3cncc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7873695
49903,COC1CCN(CCN2CCN(c3ccccc3COc3ccc4ccc(O)cc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68195856
49904,COC1CCN(CCN2CCN(c3ccccc3N3c4ccccc4CC3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78829634
49905,COOc1ccc(OCCN2CCC(Oc3ccc(SC)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.54114
49906,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1C(N)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2799608
49907,COc1cc2c(cc1O)C1Cc3cccc(-c4cc(O)nc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6012371
49908,COc1cc2c(cc1O)C1Cc3cccc(Cc4cccc(OC(C)=O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51505625
49909,COc1cc2c(cc1OC)C1Cc3cccc(OCC4CCCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.647527
49910,COc1ccc(OCCC(C)=O)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.027138954
49911,COc1ccc(OCCC(O)CCc2ccc3c(c2)NC(=O)CC3)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.22055113
49912,COc1ccc(OCCCS(=O)(=O)c2ccc(F)cc2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.084144205
49913,COc1ccc(OCCN2CCC(Cc3ccc4ccc(F)cc4c3)CC2)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.54867804
49914,COc1ccc(OCCNCCCCC2CCCc3cc(ccc3OC3CCCN3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2618084
49915,COc1cccc(CN2CCN(CCCCOc3ccc4ccccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66663367
49916,COc1cccc2c1CN1CCc3cc(NC(=O)Nc4ccc(Cl)c(Cl)c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.31545347
49917,COc1ccccc1-c1cc(C(=O)NCCN2CCN(C)CC2)ccc1CO,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3527335
49918,COc1ccccc1N1CCN(CCN2CCC(Oc3ccc(-c4ccc(F)cc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8001927
49919,CS(=O)(=O)Oc1ccc(OCCF)cc1CNCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.09257656
49920,CS(=O)(O)=NCCOc1ccc(OF)c(CN2CCCC(Cc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2691344
49921,C[N+]c1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7172171
49922,Cc1cc(OCCN2C(=O)CCc3ccc(CC4CCC4)cc32)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2751768
49923,Cc1cc(OCCN2CCC(Cc3ccc(OC4CCC(=O)NC4)cc3)CC2)ccc1OCS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.48208317
49924,Cc1cc(OCCNCC2CCc3ccccc3C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.23515148
49925,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(Oc2ccc(C(C)C)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18874355
49926,Cc1cccc2c(Nc3cccc(CN4CCN(CCCCl)CC4)c3)cccc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3572762
49927,Cc1ccccc1N1CCN(CCN2CCC(c3cc4ccccc4nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.629144
49928,O=C(NCCN1CCN(Cl)CC1)c1ccc(Cl)c(-c2ccco2)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29708973
49929,O=NC(=O)Nc1ccccc1-c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.30827332
49930,OCCCN1CCN(Cc2cccc(-c3ccc4c(c3)OCO4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.50921655
49931,Oc1cc2c(cc1-c1cccc(Br)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6935259
49932,Oc1ccc2ccc(CC3CCN(CCN4CCN(c5ccccc5Cl)CC4)CC3)cc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.777231
49933,Oc1cccc2c1CN1CCc3cc(CCc4ccccc4)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.80068
49934,Oc1ccccc1N1CCN(CCN2CCC(OCC#Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69831115
49935,CC1Cc2ccccc2N1c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69310516
49936,CCCOc1ccc(ON2CC=C(C(=O)O)CCC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15121785
49937,CCCOc1ccc(ON2CCN(Cc3ccc(F)c(F)c3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5117341
49938,CCCOc1ccc(OS(C)(=O)=O)c(C(C)Cc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06739501
49939,CCCOc1ccc(OS(C)(=O)=O)c(Cn2cccc2CCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10184358
49940,CCOc1ccccc1N1CCN(CCN2CCC(c3ccc(Cl)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8210137
49941,CCc1ccc(N2CCN(Oc3ccc(OCCOC)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.22074126
49942,CCc1ccccc1N1CCN(CCN2CCC(Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75347656
49943,COC(=O)OCc1ccc(-c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4506105
49944,COC1CCN(CCN2CCN(c3ccccc3-c3cc(F)ccc3S(=O)O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72786033
49945,COCCOc1ccc(ON2CCN(C(=O)c3ccc(F)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06759572
49946,CON=Cc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7430913
49947,CONCc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6604004
49948,COOc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCC4)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6189868
49949,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1c(OC)cccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26065406
49950,COc1cc2c(cc1-c1ccc(C)cc1)CCN1Cc3c(CO)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59965986
49951,COc1cc2c(cc1O)C1Cc3cccc(Cc4c(C#N)ccc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74961895
49952,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc5cc[nH]c5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6647989
49953,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)c4ccco4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5013872
49954,COc1cc2c(cc1OC)C1Cc3cccc(OCc4ccc(Cl)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76775986
49955,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(cccc3C(F)(F)F)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.76910985
49956,COc1ccc(C(=O)NCCN2CCN([O-])CC2)cc1-c1cccc(Cl)c1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2766139
49957,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(Cc2ccc3c(c2)NC(=O)CC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.33263928
49958,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(Cc2ccc3ccccc3c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29612404
49959,COc1ccc(OCC[SH](C)(=O)O)cc1N1CCCC(Cc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.22102757
49960,COc1ccc2c(c1)C(=O)N(c1ccccc1N1CCN(CCN3CCC(OC)CC3)CC1)CC2,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7553314
49961,COc1ccc2cccc(C(=O)Nc3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)c2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.37900254
49962,COc1cccc(CCNCCOc2ccc(O[SH](C)(=O)O)c(C)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16748522
49963,CSOc1ccc(OCCC=Cc2ccc(OC3CCNCC3)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.27144876
49964,CSOc1ccc(OCCCN2CC=C(c3ccccc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6282869
49965,CSOc1ccc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6076848
49966,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCC(Cc2ccc3c(c2)NC(=O)CCC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.31914368
49967,Cc1cc(OCCO)ccc1ON1CCC(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2586189
49968,Cc1cc2c(cc1-c1c[nH]c3ccccc13)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6661511
49969,Cc1cc2c(cc1Cc1ccc(C#N)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6000494
49970,ClCCCN1CCN(Cc2cccc(-c3nc4ccccc4s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67515874
49971,FC(F)(F)Oc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8779305
49972,Fc1cccc(CN2CCN(CCCc3ccc(-c4ccccc4)s3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61183465
49973,O=C(NCc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1ccc2ccccc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6718466
49974,Oc1cccc2c1CN1CCc3cc(-c4ccccc4OC(F)(F)F)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59637594
49975,CC(C)c1ccccc1N1CCN(CCN2CCC(C(=O)NCc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66940296
49976,CCC(C)Oc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70411783
49977,CCCOc1ccc(OC)c(CN2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6382536
49978,CCCOc1ccc(OCOc2ccccc2CCC)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21649864
49979,CCCOc1ccc(OCS(N)(=O)=O)c(N2CCC(Oc3ccc(CCC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26985002
49980,CCCOc1ccc(OOC)c(CCNC(=O)c2c(OC)cccc2N2CCN(C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40055528
49981,CCCOc1ccc(OS(N)(=O)=O)c(N2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27449784
49982,CCOc1cc2c(cc1OC)C1Cc3cccc(CNOCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69288963
49983,CCOc1ccccc1N1CCN(CCCOc2ccc(OC)c(SC)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.9114145
49984,COCCCN1CCN(Cc2cccc(CS(=O)(=O)c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4836135
49985,COCCCN1CCN(Cc2cccc(Cn3ccc(C=O)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5117294
49986,COc1cc2c(cc1O)CCN1Cc3c(cccc3NC(=O)c3c[nH]c4ccc(CO)cc34)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.291015
49987,COc1cc2c(cc1OC)C1Cc3cccc(CO)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8277384
49988,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(C(=O)OCc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4097637
49989,COc1ccc(Br)cc1C1CCN(CCN2CCN(c3ccccc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6471942
49990,COc1ccc(OCCC2CCC(c3ccc(OC4CCNCC4)c(C)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.14801732
49991,COc1ccc(OCCCN2CCC(F)CC2)cc1NS(=O)(=O)c1cccs1,[*]CCOc1ccc(O[*])c([*])c1,0.64076394
49992,COc1ccc(OCCN2CCC(Oc3ccc(Cl)cc3)CC2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5590934
49993,COc1ccc(OCCN2CCCC(Cc3ccccc3)C2)cc1CS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.42677423
49994,COc1ccc(OCCN=S(C)(=O)O)cc1-c1ccc(CCCF)nc1,[*]CCOc1ccc(O[*])c([*])c1,0.059986368
49995,COc1ccc(OCCN=S(C)(=O)O)cc1N1C(=O)CCc2cc(OCC3CCC3)ccc21,[*]CCOc1ccc(O[*])c([*])c1,0.16766897
49996,COc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1NS(=O)(=O)c1cccc(SC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.011211312
49997,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1CN1CCNC1=O,[*]CCOc1ccc(O[*])c([*])c1,0.1314463
49998,COc1ccc(OCCOC(=O)Cc2ccc3c(c2)NC(=O)CC3)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.14890386
49999,COc1ccc(OCCS(C)(=O)=O)cc1COc1ccccc1OCC(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.08523758
50000,COc1cccc(COc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7088497
50001,COc1cccc2c1CN1CCc3cc(C(O)CCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6958854
50002,COc1ccccc1COCc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7551602
50003,COc1ccccc1NC1CCN(CCOc2ccc(OC)c(NS(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5599254
50004,Cc1cc(OCCN(C)S(C)(=O)=O)ccc1ON1CCC(Oc2ccc(CC3CCCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2143056
50005,Cc1cc(OCCNC(=O)COc2ccccc2)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.018601503
50006,FC(F)(F)c1ccccc1N1CCN(CCN2CCC(c3ncc(-c4ccccc4)s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79703695
50007,O=C1N=C(CCCN2CCN(Cc3cccc(Cl)c3)CC2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5686725
50008,O=C1c2ccccc2S(=O)(=O)N1CCCN1CCN(Cc2cccc(O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6772335
50009,O=S1(=O)CCc2ccccc2N1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.73085904
50010,O=c1ccc2c(-c3cccc(CN4CCN(CCCC(F)(F)F)CC4)c3)cccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51497304
50011,OCc1ccc2c(-c3ccc(F)cc3)cn(-c3ccccc3N3CCN(CCN4CCC(O)CC4)CC3)c2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66585505
50012,Oc1cccc2c1CN1CCc3cc(-c4cccc(OC(F)(F)F)c4)c(F)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55251944
50013,Oc1cccn1C1CCN(CCN2CCN(c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67360705
50014,CC(=O)N(C)Cc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5322487
50015,CC1CCN(CCN2CCN(c3ccccc3-c3cc(O)ccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76605743
50016,CCCCOc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79528224
50017,CCCOc1ccc(OF)c(CN2CCN(c3ccccc3OC(C)C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7891688
50018,CCCOc1ccc(OF)c(N2CCN(c3ccccc3OCC(=O)O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18270357
50019,CCCOc1ccc(ON2CCN(C(c3ccccc3)c3cccc(OC)c3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.30183536
50020,CCCOc1ccc(ON2CCN(c3ccccc3OCC(F)(F)F)CC2)c(OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3488597
50021,CCCOc1ccc(OOC)c(N2CCN(c3ccccc3C(C)C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3565764
50022,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(COc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3298265
50023,CCCOc1ccc(OS(N)(=O)=O)c(NC(=O)COc2ccc(CCF)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0068100323
50024,CCON1CCN(CCNC(=O)c2ccc(-c3ccccc3OC)c(OC)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3358913
50025,CCOc1ccccc1N1CCN(CCOc2ccc(OC)c(CS(=O)(=O)O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.79145247
50026,CCc1ccc2cc1NC(=O)C(CCNCCOc1ccc(ON)c(C)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.20201904
50027,COc1cc(C)ccc1C(=O)NC1CCN(CCN2CCN(c3ccccc3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.639906
50028,COc1cc2c(cc1OC(=O)Nc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34955078
50029,COc1cc2c(cc1OC)C1Cc3cccc(C4CCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74520093
50030,COc1cc2c(cc1OC)C1Cc3cccc(CCC(=O)O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5652826
50031,COc1ccc(C2CCN(COc3ccc(OCCS(C)(=O)=O)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.38830844
50032,COc1ccc(OCCF)cc1CN1CCN(C(=O)c2cccc(SC)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.09010131
50033,COc1ccc(OCCF)cc1CNCC1CCc2ccc(CC(=O)O)cc2O1,[*]CCOc1ccc(O[*])c([*])c1,0.35072854
50034,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(Oc2ccc3ccc(C)cc3n2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.14784315
50035,COc1ccc(OCCNC(C)=O)cc1CN1CCN(c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3758331
50036,COc1ccc(OCCSCCCc2ccc(F)cc2)cc1S(=O)C1CCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.17072827
50037,COc1cccc(CN2CCN(CCCC3CCOc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6622293
50038,COc1cccc([N+](=O)c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6236723
50039,COc1cccc2c1CN1CCc3cc(-c4cccc(OC(N)=O)c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46231714
50040,COc1cccc2c1CN1CCc3cc(C(=O)O)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45759484
50041,COc1cccc2c1CN1CCc3cc(C)c(OCc4ccco4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6804138
50042,COc1ccccc1N1CCN(CCN2CCC(Oc3ccc4cc(O)nc-4cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69795084
50043,COc1cccn1CCCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.585838
50044,Cc1cc(OCCCl)ccc1ON1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.41096494
50045,Cc1cc(OCCN2CC3CCC2CC(Cc2ccccc2)C3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2345824
50046,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCN(CCc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4354265
50047,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCN(c2ccccc2OCC(C)C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.33985645
50048,Cc1ccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2Cl)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.17408639
50049,Cc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1cccc(Cl)c1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.23604125
50050,Cc1cccc(CN2CCN(CCCc3cc(-c4ccccc4)co3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.576845
50051,O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)N1Cc2ccccc2C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5213906
50052,O=C(NCCN1CCN(O)CC1)c1ccc([N+](=O)[O-])c(-c2cccc(Cl)c2Cl)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2618903
50053,OC1CCN(CCN2CCN(c3ccccc3-c3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7560679
50054,CC(=O)c1ccc(SCN(C)Oc2ccc(OCCF)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.04573575
50055,CC(C)C1CCN(CCN2CCN(c3ccccc3S(=O)(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67134094
50056,CCCOc1ccc(ON2CCN(C(=O)OCC)CC2)c(CF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.065054804
50057,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCC3c4cc(C=O)ccc4C(C)CCC3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19797681
50058,CCCOc1ccc(ONS(C)(=O)=O)c(C(C)COc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1930674
50059,CCCOc1ccc(OS(C)(=O)=O)c(CNCC2CCc3cc(OC)cc(F)c3CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37694493
50060,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Oc3ccc(CC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2617864
50061,CCCOc1ccc(OS(C)=O)c(N2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29297265
50062,CCCOc1ccc(OSC)c(N2CCN(Cc3cccc(OC)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.71885884
50063,CCOc1ccccc1-c1cc(OCCOC)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.12871775
50064,CCc1cc2c(cc1CC1CCN(Oc3ccc(OCCNS(C)(=O)=O)cc3C)CC1)CCNC2=O,[*]CCOc1ccc(O[*])c([*])c1,0.28182098
50065,CCc1cc2c(cc1OC)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7181288
50066,CN=S(=O)(O)CCOc1ccc(OC)c(N2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20288187
50067,COCCOc1ccc(OC)c(C=CC(F)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.118841365
50068,COCCOc1ccc(OC)c(CCn2ccccc2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24511124
50069,COCCOc1ccc(OCNC2CCc3ccccc3C2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4154868
50070,COCc1cc2c(cc1C)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7276186
50071,COc1cc2c(cc1NC(=O)OCc1ccc(C)cc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.31931862
50072,COc1cc2c(cc1O)C1Cc3cccc(-c4cccc(COC(C)C)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6724085
50073,COc1cc2c(cc1O)C1Cc3cccc(NC(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5695253
50074,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3cc(C)ccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6770172
50075,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3ccc(COC(C)=O)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51397693
50076,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3cccc(NC(C)=O)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35901517
50077,COc1ccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2OC)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.24174467
50078,COc1ccc(CNCCOc2ccc(ON=S(C)(=O)O)c(C)c2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.115624376
50079,COc1ccc(OCCCCCc2cccs2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.100340284
50080,COc1ccc(OCCCN2CCNC2=O)cc1CF,[*]CCOc1ccc(O[*])c([*])c1,0.28246453
50081,COc1ccc2c(c1)CC(CNOc1ccc(OCCOS(C)(=O)=O)cc1C)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.3196919
50082,COc1cccc(C2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84665966
50083,COc1cccc2c1CN1CCc3cc(OCc4ccccc4)c(-c4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6921298
50084,COc1ccccc1C1CCN(CCN2CCN(c3ccccc3OC(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8073919
50085,COc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.84031236
50086,COc1ccccc1N1CCN(CCN2CCC(Oc3cn4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8522026
50087,COc1ccccc1N1CCN(CCN2CCC(c3cc(O)ccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8003899
50088,Cc1cc(OCCN2CCC(Oc3ccc4c(c3)NC(=O)CCC4)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6076232
50089,Cc1cc(OCCN=S(C)(=O)O)ccc1ONCCc1ccc(OC2CCCCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07623291
50090,Cc1cc(OCCNC2CCC2Cc2ccc(OC3CCNCC3)cc2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.13711825
50091,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCCC(Cc2ccc(OC3CCCCC3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.16445082
50092,Cc1ccccc1N1CCN(CCN2CCC(Nc3ncnc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6213203
50093,Cc1ccccc1N1CCN(CCN2CCC(c3ncc(-c4ccccc4)n3C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6560836
50094,[O-]c1cccc2c1CN1CCc3cc(O)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6333256
50095,C=CCOCC(=O)Nc1cc(OCCC)ccc1Oc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.013869263
50096,CC(=O)Oc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26290137
50097,CC(O)c1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccc(F)cc4)no3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68500245
50098,CC1CCN(CCN2CCN(c3ccccc3-c3ccc(N)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7673016
50099,CCCCNCc1cc(OCCc2ccc(F)cc2)ccc1ONOC,[*]CCOc1ccc(O[*])c([*])c1,0.14241128
50100,CCCOc1ccc(OC)c(CN2c3ccccc3CCC2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34193847
50101,CCCOc1ccc(OF)c(CCN(C)CC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.243156
50102,CCCOc1ccc(ONC(=O)c2cccnc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.030276153
50103,CCCOc1ccc(OS(C)(=O)=O)c(C2CCC(COc3ccc4c(c3)CCCC(=O)N4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22044337
50104,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(O)C(Cc3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23528749
50105,CCCOc1ccc(OSC)c(N2CCCC(c3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34723675
50106,CCOc1ccccc1CCCOc1ccc(OOC)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16541205
50107,CCSc1ccccc1N1CCN(CCN2CCC(c3nncc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.59556854
50108,COC(=O)C1C=C(CCCN2CCN(Cc3cccc(OC)c3)CC2)CCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5089062
50109,COC(=O)c1cc(OCCN2CCCC(CCc3ccccc3)C2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.29445738
50110,COC1CCN(CCN2CCN(c3ccccc3COc3ccc(-c4ccc(F)cn4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7025022
50111,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(OCc5cccc(F)c5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6194521
50112,COc1cc2c(cc1OC)C1Cc3cccc(Cc4ccsc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77086234
50113,COc1cc2c(cc1OC)C1Cc3cccc(OC(F)(F)c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7580637
50114,COc1ccc(-c2cccc(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)c2)nc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7688958
50115,COc1ccc(Br)cc1CS(=O)(=O)c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6194932
50116,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1Cc1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.30035493
50117,COc1ccc(CCCc2cc(OCCS(C)(=O)=O)ccc2OC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.08910974
50118,COc1ccc(OCCC(O)CCc2ccc3c(c2)NC(=O)CC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.21624036
50119,COc1ccc(OCCCNCc2ccccc2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.20264792
50120,COc1ccc(OCCCNS(=O)(=O)c2ccc(F)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10656049
50121,COc1ccc(OCCN2CCN(c3cccc(S(C)(=O)=O)c3)CC2)cc1NC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.45659342
50122,COc1ccccc1-c1cc(C(=O)NCCN2CCN(OC=O)CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32427555
50123,CSOc1ccc(OCCN2CCC(c3ccccc3)=CC2=O)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.23975584
50124,CSc1ccc(CS(=O)(=O)NCCOc2ccc(ON(C)C)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.076617725
50125,CSc1ccccc1N1CCN(CCN2CCC(c3ccc(O)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.723376
50126,Cc1cc(OCCN=S(C)(=O)O)ccc1ONC(=O)COc1ccc(C2CCCNC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.022955757
50127,Cc1cc(OCCNC(=O)Cc2ccccc2)ccc1ON1CCC(Oc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.073107734
50128,Cc1cc(OCCNCCc2ccc3c(c2)CC(=O)CC3)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.19523929
50129,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CC(C)Cc2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.2484714
50130,Cc1cccc(CN2CCN(CCCC3C(=O)Nc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6050237
50131,Fc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccccc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6965009
50132,O=C(O)C1CCc2ccccc2N1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51347727
50133,O=C(c1ccccc1)C1CCN(CCN2CCN(c3ccccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7369798
50134,C#Cc1cc2c(cc1-c1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66740954
50135,C#Cc1cccc2c1CN1CCc3cc(OCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70735043
50136,CC1CCN(CCN2CCN(c3ccccc3C(=O)C3CCc4ccccc4C3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6155657
50137,CCC(C)(O)NCc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63072366
50138,CCC(C)Oc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7290916
50139,CCCOc1ccc(OC(=O)COc2ccc(F)cc2)c(NCC2CCCN2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.100275494
50140,CCCOc1ccc(ON(C)C)c(C2CCN(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.756188
50141,CCCOc1ccc(ON2CCOCC2CCc2ccc(F)cc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28955823
50142,CCCOc1ccc(ONS(C)(=O)=O)c(CNc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06429397
50143,CCCOc1ccc(OS(C)(=O)=O)c(CN2CCC(c3cccc(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5294416
50144,CCOc1ccccc1N1CCCN(Oc2ccc(OCCNC(C)=O)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.17638636
50145,CCOc1ccccc1N1CCN(c2cc(OCCBr)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.35972235
50146,CN(C)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.80739635
50147,CNCCc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7346593
50148,COC(=O)c1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.41679776
50149,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3cccc4ncccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4529589
50150,COCCCCN1CCN(Cc2cccc(Cc3cc4ccccc4o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69539726
50151,COCCOc1ccc(OC)c(NC(=O)C2CCCN(Cc3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21324876
50152,COCCOc1ccc(ONC2CCN(Cc3ccccc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.50255316
50153,CON1CCN(CCNC(=O)c2ccc(C)c(-c3cccc(C)c3C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27381015
50154,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(CO)c(F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75726247
50155,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)OCc3ccc(C)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48218718
50156,COc1ccc(OCCCc2cccc(S(C)(=O)=O)c2)cc1CSN(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.11314535
50157,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)CCCC(=O)N4)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5660252
50158,COc1ccc(OCCN2CCN(C(=O)Cc3ccc(F)cc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.24165148
50159,COc1ccc(OCCN=S(C)(=O)O)cc1C1CCCC(COc2ccc3c(c2)NC(=O)CC3)C1,[*]CCOc1ccc(O[*])c([*])c1,0.32419488
50160,COc1ccc(OCCN=S(C)(=O)O)cc1C1CCCC(Cc2ccc(OC3CCCCN3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.10346362
50161,COc1ccc(OCCNC(=O)c2ccc(C)s2)cc1NS(=O)(=O)C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.014788432
50162,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(C(=O)c2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2004105
50163,COc1ccccc1N1CCN(CCNC(=O)c2ccc(C(F)(F)F)c(OC)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.8949202
50164,COc1ccccc1N1CCN(COc2ccc(OCCc3ccc(F)cc3)cc2C=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6998846
50165,CS(=O)(O)=NOc1ccc(OCCF)cc1C1CCN(CCc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6078959
50166,Cc1cc(OCCN2CCC(c3ccccc3OC3CCCC3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.64663124
50167,Cc1cc(OCCNC(=O)COc2ccc(C(C)C)cc2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.009571366
50168,Cc1ccc(-c2cccc(CN3CCN(CCCCl)CC3)c2)oc1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5473237
50169,FC(F)(F)CCCN1CCN(Cc2cccc(-c3csc(-c4ccccc4)n3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5798178
50170,O=C(c1ccccc1O)C1CCN(CCN2CCN(c3ccccc3OC(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8369004
50171,O=S(=O)(c1ccc(F)cc1)c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.412912
50172,O=[N+]([O-])Cc1ccc(COc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48187467
50173,CCCCN1CCN(Cc2cccc(OC(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.47261953
50174,CCCOc1ccc(OCN2CCN(c3ccccc3OC)CC2)c(N=COC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6367585
50175,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Oc3ccc(CC4CCCCN4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26483923
50176,CCOc1ccc(-c2cc(OCCN=S(C)(=O)O)ccc2OC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.039435208
50177,COC(=O)Nc1cccc(Cc2cc3c(cc2OC)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39943102
50178,COC1CCN(CCN2CCN(c3ccccc3-n3c(O)nc4ccc(F)cc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7294521
50179,CON1CCN(CCNC(=O)c2ccc(O)c(-c3cccc(C)c3C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.26488188
50180,COOc1ccc(OCCCN2CCC(c3ccccc3OC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.72915614
50181,COOc1ccc(OCCNCC2C(=O)CCc3ccccc32)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.17251098
50182,COc1cc2c(cc1-c1ccc3[nH]ccc3c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70247984
50183,COc1cc2c(cc1C(C)O)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6633219
50184,COc1cc2c(cc1C=NOCc1cccc(C)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6731411
50185,COc1cc2c(cc1CNc1cccc(Cl)c1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5647448
50186,COc1cc2c(cc1O)C1Cc3cccc([N+]Cc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.803457
50187,COc1cc2c(cc1O)CCN1Cc3c(cccc3C3OCCN3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5000932
50188,COc1cc2c(cc1O)CCN1Cc3c(cccc3C[N+](=O)[O-])CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6069914
50189,COc1cc2c(cc1OC)C1Cc3cccc(CNC(=O)Cc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.37632155
50190,COc1cc2c(cc1OC)C1Cc3cccc(CNCCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6585541
50191,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CCC4)C2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.49672395
50192,COc1ccc(OCCN2CCC(Cc3ccc4ccccc4n3)CC2)cc1C=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5250816
50193,COc1ccc(OCCN2CCC(NS(C)(=O)=O)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.56441474
50194,COc1ccc(OCCN2CCC(OCCc3ccc(F)cc3)CC2)cc1S(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.57929695
50195,COc1ccc(OCCN2CCC(Oc3ccc(CC4CCCCC4)cc3)CC2)cc1S(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.43653083
50196,COc1ccc(OCCN2CCC(c3ccc(F)cc3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.79119074
50197,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1N1CCN(C=S(C)O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.123141736
50198,COc1ccc(OCCNCc2ccco2)cc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.13482805
50199,COc1ccc(OCCS(N)(=O)=O)cc1NC(=O)Cc1ccc2c(c1)CC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.05798104
50200,COc1ccc(OCCc2cc(C3CCC(F)CC3)no2)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.0788133
50201,COc1ccc2c(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)cncc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69113624
50202,COc1cccc2c1CN1CCc3cc(OC4CCCCC4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7233638
50203,COc1ccccc1N1CCN(Oc2ccc(OCCNC(=O)CS)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.17105603
50204,CSOc1ccc(OCCNC(O)CCc2ccc3c(c2)CC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.09758874
50205,Cc1cc(OCCCN2CCC(Cc3ccc(F)cc3)CC2)ccc1OF,[*]CCOc1ccc(O[*])c([*])c1,0.6394374
50206,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCN(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.18721272
50207,Cc1cc(OCCNC(=O)COc2ccc(C(C)C)cc2)ccc1ON1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.04234497
50208,Cc1cc(OCCNS(C)(=O)=O)ccc1ONC(=O)Cc1ccc2c(c1)N(C)C(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.0515363
50209,Cc1cc2c(cc1O)C1Cc3cccc(C#N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7143774
50210,Cc1ccc2c(S(=O)(=O)NCCCN3CCN(Cc4cccc(Cl)c4)CC3)cccc2n1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.39530027
50211,O=[N+]([O-])c1ccccc1N1CCN(CCN2CCC(c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.58644843
50212,C=NCCOc1ccc(OC)c(CN2CCC(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.63814795
50213,CC(=O)OCCOc1ccc(ONS(=O)(=O)c2ccc(F)cc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.027337635
50214,CC(C)(C)c1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7866644
50215,CC(C)Oc1ccccc1N1CCN(CCN2CCC(Nc3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8717919
50216,CC1CCN(CCN2CCN(c3ccccc3Cc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7349218
50217,CCCCN1CCN(Cc2cccc(C(=O)N3c4ccccc4CC3C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67722267
50218,CCCOc1ccc(OCN2CCC(c3ccccc3OC)CC2)c([N+](=O)[O-])c1,[*]CCOc1ccc(O[*])c([*])c1,0.3621545
50219,CCCOc1ccc(ONC(C)=O)c(NCC2CCc3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.25914514
50220,CCCOc1ccc(OS(C)(=O)=O)c(-c2ccc(CC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.061554506
50221,CCCOc1ccc(OS(C)(=O)=O)c(CC(F)(F)F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08701665
50222,CCCc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8460197
50223,CCOc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc(OC)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70015734
50224,CCOc1ccccc1N1CCN(CCN2CCC(c3ccccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.83396935
50225,COC(=O)Nc1ccc(Cc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.33299223
50226,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.46788967
50227,COCCCN1CCN(Cc2cccc(NC(=O)OC(C)(C)C)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.33620346
50228,COCCOc1ccc(OC)c(NC(=O)COc2ccc(C(F)(F)F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.008230042
50229,COc1cc2c(cc1O)C1Cc3cccc(-c4cc(C#N)cc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6605826
50230,COc1cc2c(cc1O)C1Cc3cccc(-c4cc(COc5ccccc5)ccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56539863
50231,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.768061
50232,COc1cc2c(cc1OC)C1Cc3cccc(CCN(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8625324
50233,COc1ccc(C(=O)c2cccc(CN3CCN(CCCF)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.47681636
50234,COc1ccc(CNCCOc2ccc(OS(N)(=O)=O)c(C)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.18939677
50235,COc1ccc(OCCC2CCN(C(=O)c3ccc(F)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08950279
50236,COc1ccc(OCCCCCc2ccccc2)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.82221675
50237,COc1ccc(OCCN2CCC(C(=O)c3ccc(SC)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.5243084
50238,COc1ccc(OCCS(C)(=O)=O)cc1CCc1ccc(F)cc1F,[*]CCOc1ccc(O[*])c([*])c1,0.08801072
50239,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Cc2ccc(OC3CCCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.25190005
50240,COc1ccc(OCCS(N)(=O)=O)cc1C(C)Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06314856
50241,COc1ccccc1N1CCN(CCN2CCC(C(O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87444305
50242,CSc1ccc(OC2CCN(CCOc3ccc(OS(N)(=O)=O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.4984853
50243,Cc1cc(OCCF)ccc1ONC1CC(C)Cc2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.25869557
50244,Cc1cc(OCCN2CCCC(Cc3ccc(F)cc3)C2)ccc1OOS(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3851068
50245,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(Cc2ccc(C3CCCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.12768513
50246,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCC(Oc2ccc3ccc(C=O)cc3c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1420522
50247,Cc1cc(OCCc2ccccc2OCC(F)(F)F)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.14337654
50248,Clc1cccc(CN2CCN(CCCN=C3COc4ccccc4N3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6658557
50249,O=C(O)C1Cc2ccccc2C(=O)N1CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6282999
50250,O=S1(=O)c2ccccc2CC1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6222692
50251,O=[N+]([O-])c1ccccc1N1CCN(CCN2CCC(Nc3cccc4nc(O)ccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.43560824
50252,O=c1ccc2cc(CCCN3CCN(Cc4cccc(Cl)c4)CC3)ccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7194927
50253,Oc1cccc2c1CN1CCc3cc(C=COc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69364053
50254,CC(C)(C)OC(=O)NCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5337404
50255,CC1N(c2cccc(CN3CCN(CCCCl)CC3)c2)c2ccccc2S1(=O)=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55471253
50256,CCCCOc1ccc(OOC)c(CCNc2ccccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12621313
50257,CCCOc1ccc(ON2CCC(Cc3ccccc3)CC2)c(O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36990494
50258,CCCOc1ccc(ONS(C)(=O)=O)c(CCCc2cccc3c2NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19154777
50259,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCC(c3ccc(CC(F)(F)F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31016865
50260,CCCOc1ccc(O[SH](C)(N)=O)c(NCCOC2CCc3ccccc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31878966
50261,CCOCCCN1CCN(Cc2cccc(Cc3cc(-c4ccccc4)no3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5283869
50262,CCOCCOc1ccc(OC)c(N2CCC(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39656657
50263,CCOc1cc2c(cc1OC)CCN1Cc3c(CNCc4cccc(OC)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5314555
50264,CCOc1ccccc1C(=O)NCc1cc(OCCSC)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.030005913
50265,CCOc1ccccc1N1CCN(CCOc2ccc(ONS(=O)(=O)O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.63506854
50266,COC(=O)Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43038583
50267,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(Cl)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78120273
50268,COCCCN1CCN(Cc2cccc(N(C)S(=O)(=O)c3ccc4c(c3)CCc3ccccc3C=C4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.54467016
50269,COc1cc2c(cc1C)CCN1Cc3c(cccc3-c3ccc(N(C)C)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6603006
50270,COc1cc2c(cc1CNC(=O)C1CC1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4836173
50271,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc4cccc(OC)c4c3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.686689
50272,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccccc4F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6780975
50273,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)OCc4ccc(F)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49933398
50274,COc1cc2c(cc1OC)C1Cc3cccc(CNCc4cccc(F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65450275
50275,COc1ccc(OCCCN(C)C)cc1-c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.15747537
50276,COc1ccc(OCCCN2CCC(c3ccccc3C)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6983678
50277,COc1ccc(OCCN2CCC(CCc3ccc4c(c3)NC(=O)CC4)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.6764433
50278,COc1ccc(OCCN2CCC(Oc3ccc(F)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.63661355
50279,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(Oc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.31795534
50280,COc1ccc(OCCS(C)(=O)=O)cc1OC1CCC(Nc2ccc(C(C)=O)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.042860016
50281,COc1ccc(OCCSC)cc1NS(=O)(=O)c1ccccc1OCC(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.08297766
50282,COc1cccc(-c2cccc3c2CN2CCc4cc(OCc5ccccc5)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4649954
50283,COc1ccccc1NC1CCN(CCN2CCN(c3ccccc3OCCF)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.58567804
50284,CSC1CCN(CCN2CCN(c3ccccc3-c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78217477
50285,CSC1CCN(CCN2CCN(c3ccccc3-n3ccc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6478206
50286,CSOc1ccc(OCCNCCCC2Cc3ccccc3CC2O)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.3598208
50287,CSc1ccccc1N1CCN(CCN2CCC(NCc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77040356
50288,Cc1cc(OCCF)ccc1ONC(=O)c1ccccc1[SH](C)(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.0225727
50289,Cc1cc(OCCF)ccc1ONC1CCC(NS(=O)(=O)c2cccc(F)c2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.15074718
50290,Cc1cc(OCCN2CCC(NS(=O)(=O)c3cccc(C(C)C)c3)CC2)ccc1OF,[*]CCOc1ccc(O[*])c([*])c1,0.6273109
50291,O=C(C=Cc1ccccc1)NCc1cccc(CN2CCN(CCCOC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6244117
50292,O=C1c2ccccc2CC1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6881412
50293,C#Cc1ccccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1[N+](=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.35320386
50294,C=Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74247414
50295,CC(C)C1CCN(CCN2CCN(c3ccccc3S(=O)(=O)c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6599506
50296,CCCCN1CCN(Cc2cccc(CN3C(=O)c4ccccc4S3(=O)=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5408265
50297,CCCOc1ccc(OCCCc2ccc(F)cc2)c(N=S(C)(=O)O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.109706044
50298,CCCOc1ccc(OCN2CCN(c3ccccc3OC)CC2)c(OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.65677744
50299,CCCOc1ccc(ON2CCC(Cc3ccccc3)CC2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26896986
50300,CCCOc1ccc(OSC)c(Cc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10183802
50301,CCCc1cc(O)n(Cc2cc(OCCS(C)(=O)=O)ccc2OC)c1C1CCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.15127905
50302,CCOC(=O)c1cccc2c1CN1CCc3cc(OC)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4093612
50303,CCOc1ccccc1N1CCN(Oc2ccc(OCC[N+](=O)[O-])cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.37718418
50304,COC1CCN(CCN2CCN(c3ccccc3-n3ccc(C=O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7430075
50305,COCCCN1CCN(Cc2cccc(-c3ccncc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57818955
50306,COOc1ccc(OCCCOc2ccc(F)cc2)cc1CCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.19980414
50307,COOc1ccc(OCCF)cc1CNCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.14558901
50308,COc1cc2c(cc1-c1cc(C#N)ccn1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.677435
50309,COc1cc2c(cc1N[N+](=O)C(C)=O)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43853188
50310,COc1cc2c(cc1OC(C)(C)C)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7291698
50311,COc1cc2c(cc1OC)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7537465
50312,COc1cc2c(cc1OC)C1Cc3cccc(CN(C)CCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7986928
50313,COc1ccc(C(N)=O)cc1S(=O)(=O)NOc1ccc(OCCF)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.02942456
50314,COc1ccc(OCCC(=O)OC(C)C)cc1N1CCN(C(=O)Cc2ccc3cc(C)ccc3c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.0696415
50315,COc1ccc(OCCC(C)C)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.8274297
50316,COc1ccc(OCCCCCc2ccccc2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.15799665
50317,COc1ccc(OCCN2CCC(Cc3ccc(OC4CCCC4)c(C)c3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.49736276
50318,COc1ccc(OCCN2CCCCC2)cc1NS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.28352636
50319,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1N1CCN(S(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.12799154
50320,COc1ccc(OCCS(C)=O)cc1N1CCC(c2ccc(F)cn2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.30055797
50321,COc1cccc(CN2CCN(CCCc3ccc4[nH]c(S)nc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6604885
50322,COc1cccc2c1CN1CCc3cc(CC(O)(F)F)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74642575
50323,COc1cccc2c1CN1CCc3cc(O[SH](C)(=O)C(F)(F)F)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.700922
50324,COc1ccccc1N1CCN(CCNC(=O)c2ccc(Cl)c(O)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.947874
50325,Cc1cc(OCCN2CC(Cc3ccc4ccccc4c3)CCN2C)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.27537644
50326,Cc1cc(OCCN2CCN(C)CC2)ccc1OOCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.47093388
50327,Cc1cc(OCCN=S(C)(=O)O)ccc1OOCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.06866292
50328,O=C(CCCN1CCN(Cc2cccc(-c3ccc4ccccc4c3)c2)CC1)N1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4029043
50329,O=C(NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)c1ccc(F)nc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7920894
50330,O=C(c1ccccc1)N1CCCC1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5356132
50331,Oc1cccc(CN2CCN(CCCc3cccc(-c4ccccc4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7140745
50332,Oc1cccc2c1CN1CCc3cc(COCc4ccccc4)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8134878
50333,Oc1ncc(F)c(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77512574
50334,CCCC1CCN(CCOc2ccc(OC)c(OS(=O)(=O)C(F)(F)F)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6663112
50335,CCCOc1ccc(OC(=O)COc2ccc(F)cc2)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.49371246
50336,CCCOc1ccc(OC)c(CNCC2Cc3ccccc3CC2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35060865
50337,CCCOc1ccc(ON2CCC(F)CC2)c(NC(=O)Cc2ccc(OC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07804884
50338,CCCOc1ccc(OOC)c(CCN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.9190301
50339,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCC(CCc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3362279
50340,CCCOc1ccc(OOS(C)(=O)=O)c(OC2=CC(CN)CCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1765508
50341,CCCOc1ccc(OSC)c(N2CCCN(c3cccc(Cl)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29154474
50342,CCCOc1ccc(OSC)c(NC(=O)Cc2ccc(OC3CCCNC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.037767988
50343,CCCc1cc2c(cc1O)C1Cc3cccc(-c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6307232
50344,CCCc1ccc(OC2CCN(c3cc(OCCNS(C)(=O)=O)ccc3OC)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.30923352
50345,CCOc1cccc2c1CN1CCc3cc(OC)c(OCc4ccc(OC)cc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.716573
50346,CN1CC(CCCN2CCN(Cc3cccc(Cl)c3)CC2)N(c2ccccc2)C1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5019975
50347,CNc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5021432
50348,COC1CCN(CCN2CCN(c3ccccc3-c3cnc4ccc(O)cn34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6136537
50349,COCCCN1CCN(Cc2cccc(Cc3cnc(-c4ccccc4)o3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5731544
50350,COCCOc1ccc(OCCNC(=O)c2c(OC)cccc2N2CCNC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17271504
50351,COOc1ccc(OCCN2CCN(Cc3cc4ccccc4o3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.626777
50352,COc1ccc(OCCC(F)Cc2ccccc2)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7232875
50353,COc1ccc(OCCCN2CCN(Cc3ccccc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5788685
50354,COc1ccc(OCCN2CCC(CCc3ccc(F)cc3)CC2)cc1[SH](C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.542303
50355,COc1ccc(OCCN2CCC(S(=O)(=O)c3cccc(F)c3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.74149084
50356,COc1ccc(OCCN2CCCC(S(=O)(=O)c3ccc(F)c(F)c3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3957081
50357,COc1ccc(OCCN2CCCN(c3ccccc3OCC(F)(F)F)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.8630823
50358,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1CN1CCC(S(=O)(=O)c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.17145182
50359,COc1ccc(OCCOS(C)(=O)=O)cc1CCOc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.2258148
50360,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Cc2ccc(OC3CNCC3C)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2960606
50361,COc1cccc(CCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6201897
50362,COc1cccc(CN2CCN(CCCN3C(=O)CC4(CCCC4)Cc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7077219
50363,COc1ccccc1N1CCN(CCN2CCC(COc3ccc4cccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.87142175
50364,COc1ccccc1N1CCN(CCN2CCC(c3ccc(F)nc3-c3cccc(Cl)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7606991
50365,Cc1cc(OCCCN2CCC(c3ccc(F)cc3)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.8033276
50366,Cc1cc(OCCN2CCCC(Oc3ccccc3)C2)ccc1OF,[*]CCOc1ccc(O[*])c([*])c1,0.46666545
50367,Cc1cc(OCCN2CCNC(CCc3ccccc3)C2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.50136894
50368,Cc1cc(OCCc2ccc(F)cc2)ccc1OCN1Cc2ccccc2CC1C,[*]CCOc1ccc(O[*])c([*])c1,0.3274086
50369,Cc1cc2c(cc1Cc1cccc(C#N)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5826005
50370,Cc1ccccc1N1CCN(CCN2CCC(Br)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7070454
50371,O=C1CN(c2cccc(CN3CCN(CCCCl)CC3)c2)C(=O)N1c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6532097
50372,O=S1(=O)C(c2cccc(CN3CCN(CCCCl)CC3)c2)=Cc2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6418369
50373,On1c(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc2ccccc21,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73687255
50374,CC=S(O)(O)=Nc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7235581
50375,CCCOc1ccc(OC(=O)NC)c(N2CCC(CN3CCCCC3)C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18724498
50376,CCCOc1ccc(OC(N)=O)c(N2CCN(c3ccccc3C(C)C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15106554
50377,CCCOc1ccc(OC)c(N2CCC(NC(=O)c3ccc(F)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17800225
50378,CCCOc1ccc(ONCCc2ccc(C(F)(F)F)cn2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.058980998
50379,CCOc1ccccc1N1CCN(CCN2CCC(Nc3ccccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5430533
50380,CCc1ccccc1N1CCN(CCN2CCC(c3cn4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7399904
50381,COC(=O)C1CCN(CCN2CCN(c3ccccc3-c3cc4ccccc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.679614
50382,COCCCN1CCN(Cc2cccc(CC(=O)c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51096416
50383,COCCCN1CCN(Cc2cccc(NC(=O)c3ccco3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.2707116
50384,COc1cc2c(cc1C)CCN1Cc3c(Cc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6695304
50385,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(CO)cc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7150102
50386,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(C)(C)c3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7483115
50387,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3ccc(C(C)O)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6490706
50388,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)OCc4cccc([N+](=O)C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4356484
50389,COc1cc2c(cc1OC)C1Cc3cccc(CCNC(=O)c4ccc5ccccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45201486
50390,COc1ccc(-c2ccccc2)cc1-c1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8079833
50391,COc1ccc(C(=O)Nc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1OC,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4238621
50392,COc1ccc(OCCCNC(=O)c2ccc(F)cc2)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7032479
50393,COc1ccc(OCCCNCc2ccccc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.20497385
50394,COc1ccc(OCCCOc2ccc(F)cc2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.14179093
50395,COc1ccc(OCCCS(=N)c2ccc(F)cc2OC)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.096098475
50396,COc1ccc(OCCN2CCC(c3ccccc3)CC2)cc1C(C)NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.7090919
50397,COc1ccc(OCCNS(C)(=O)=O)cc1CCOc1ccc(SC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.10420867
50398,COc1cccc2c1CN1CCc3cc(C)c(C(=O)OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3448762
50399,COc1ccccc1CC1CCN(CCOc2ccc(OO)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.59055495
50400,COc1ccccc1N1CCN(CCN2CCC(Nc3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.90880907
50401,COc1ccccc1N1CCN(CCOc2ccc(OC(N)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7361446
50402,COc1ccccc1N1CCN(CCOc2ccc(OC)c(S(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.91637427
50403,CSOc1ccc(OCCN2CCN(Cc3csc4ccccc34)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.54369354
50404,Cc1cc(C2CCN(CCN3CCN(c4ccccc4O)CC3)CC2)n(C)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.59743303
50405,Cc1cc(OCCF)ccc1OCN1CCN(C(=O)c2ccc(Cl)cc2)C(CS)C1,[*]CCOc1ccc(O[*])c([*])c1,0.22326665
50406,Cc1cc(OCCNCc2ccccc2)ccc1OCNS(=O)(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.23717232
50407,Cc1cc2c(cc1-c1ccc(OCc3ccccc3)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57864755
50408,Cc1cccnc1C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7548715
50409,Fc1ccc(Oc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)nc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7941935
50410,N#Cc1ccc(-c2cc3c(cc2O)C2Cc4cccc(CO)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74118257
50411,O=C(NCc1cccc(Cl)c1)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4159894
50412,Oc1cccc2c1CN1CCc3cc(C=Nc4cccc(Cl)c4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67035943
50413,On1cccc1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77740544
50414,CC1(C(=O)NCCCCN2CCN(Cc3cccc(Cl)c3)CC2)CCCC1=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49483472
50415,CC1(C(=O)NCCCCN2CCN(Cc3cccc(Cl)c3)CC2)CCCc2ccc(O)cc2C1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5120705
50416,CCCOc1ccc(OC(N)=O)c(N2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16939908
50417,CCCOc1ccc(ONS(=O)(=O)c2ccc(F)cc2)c(N2CCC(Oc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.305723
50418,CCCOc1ccc(OO)c(N2CCC(C(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2410742
50419,CCCOc1ccc(OS(C)(=O)=O)c(CCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11991347
50420,CCCOc1ccc(Oc2ccccc2)c(NC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.027578484
50421,CCOC1CCN(CCN2CCN(c3ccccc3NC(=O)c3cccs3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.45485494
50422,CCOc1ccccc1N1CCN(CCN2CCC(Nc3ccc4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8397972
50423,COC1CCN(CCN2CCN(c3ccccc3-c3cccc(-c4ccc(C(F)(F)F)cn4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6773998
50424,COC1CCN(CCN2CCN(c3ccccc3-c3ccn(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68546236
50425,COC1CCN(CCN2CCN(c3ccccc3COc3ccc4cc(O)cnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.647849
50426,COCCCN1CCN(Cc2cccc(N3C(=O)c4ccccc4C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5974458
50427,COCCOc1ccc(OC)c(N2CCN(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37755552
50428,COCc1ccc(Cc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70617616
50429,COOc1ccc(OCCN2CCC(Cc3ccc4ccccc4c3)C(O)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.49598035
50430,COc1cc(C(=O)NCCN2CCN(Cc3ccccc3OC)CC2)ccc1[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29319587
50431,COc1cc2c(cc1O)C1Cc3cccc(NC(C)c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.46459258
50432,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCCc3ccc(C#N)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72439945
50433,COc1cc2c(cc1OC)C1Cc3cccc(C(=O)Nc4ccccc4C#N)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.29374504
50434,COc1cc2c(cc1OC)C1Cc3cccc(C=Cc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.80130684
50435,COc1cc2c(cc1OC)C1Cc3cccc(CNS(C)(=O)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6255814
50436,COc1cc2ccccc2cc1OCC1CCN(CCN2CCN(c3ccccc3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8712447
50437,COc1ccc(OCCN2CCC(Oc3ccccc3C(C)=O)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5016073
50438,COc1ccc(OCCN=S(C)(=O)O)cc1N1CCC(O)(c2ccc(C(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.16959703
50439,COc1ccc(OCCNS(=O)(=O)c2cc(F)ccc2F)cc1OC1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.22006807
50440,COc1ccc(OCCS(C)(=O)=O)cc1NC(=O)Cc1ccc2c(c1)CCCC2,[*]CCOc1ccc(O[*])c([*])c1,0.04475511
50441,COc1cccc(CN2CCN(CCCCc3cc4ccccc4oc3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.67732745
50442,COc1cccc2c1CN1CCc3cc(-c4cccs4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7455357
50443,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8294906
50444,Cc1cc(OCCCN2CCC(c3ccccc3OC3CC3)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.74232
50445,Cc1cc(OCCNCc2cccs2)ccc1OCS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13589671
50446,Cc1ccccc1N1CCN(CCN2CCC(c3nc(-c4ccccc4)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6526417
50447,Clc1cccc(CN2CCN(CCCC3CCC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7570283
50448,Nc1cccc2c1CN1CCc3cc(Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73869145
50449,O=C(Nc1cccc(CN2CCN(CCCCl)CC2)c1)c1ccc2ccccc2n1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3468238
50450,O=c1ccc(Cl)cn1CCCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6036672
50451,Oc1ccc2ccc(CC3CCN(CCN4CCN(c5ccccc5O)CC4)CC3)cc2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69312924
50452,Oc1cccc2c1CN1CCc3cc(CNc4ccccc4)c(Br)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5165187
50453,C#Cc1ccc(Cc2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6722593
50454,CCCCN1CCN(Cc2cccc(-c3ccc4c(c3)Cc3ccccc3-4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6398096
50455,CCCOc1ccc(OCl)c(N2CCC(COc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4225924
50456,CCCOc1ccc(OF)c(CN2CCN(c3ccc(OCC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.69963753
50457,CCCOc1ccc(ON2CCN(c3ccccc3OC)CC2)c(OCC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3823494
50458,CCCOc1ccc(OS(C)(=O)=O)c(-c2cc(C(F)(F)F)ccc2F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07749548
50459,CCCOc1ccc(OS(C)(=O)=O)c(NCC2CCCc3ccc(OCC(F)(F)F)cc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31304756
50460,CCOc1ccccc1N1CCN(CCN2CCC(c3cccnn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8232791
50461,CCOc1ccccc1OCCOc1ccc(OOC)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.100392774
50462,CNC(=O)c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44965112
50463,COC1CCN(CCN2CCN(c3ccccc3-c3ncc(-c4ccc(F)cc4)s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79049206
50464,COC1CCN(CCN2CCN(c3ccccc3-n3cc(-c4ccc(F)cc4)nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7224383
50465,COCCCN1CCN(Cc2cccc(CNC(=O)c3ccc4ccccc4c3OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.41462758
50466,COOc1ccc(OCCCCOc2ccccc2SC)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.1398278
50467,COOc1ccc(OCCN2CCN(c3ccccc3OC(C)C)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.81205684
50468,COOc1ccc(OCCNC(=O)Cc2ccc(C=O)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.031181782
50469,COc1cc(Cl)ccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2607444
50470,COc1cc2c(cc1-c1ccccc1)CCN1Cc3c(cccc3-c3cccc(C#N)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6209098
50471,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc5cc[nH]c5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7221495
50472,COc1cc2c(cc1OC)C1Cc3cccc(Oc4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6578128
50473,COc1cc2c(cc1OC)CC(CNCCCOc1ccc(ONS(C)(=O)=O)c(C)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.30639464
50474,COc1ccc(-c2cnn(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)c2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7559574
50475,COc1ccc(OCCC2CCN(Cc3ccc(F)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.41259992
50476,COc1ccc(OCCF)cc1C1=CC=CN(C(=O)C2CCNCC2)C(C)C1,[*]CCOc1ccc(O[*])c([*])c1,0.13558602
50477,COc1ccc(OCCN2CCC(Oc3ccc(C4CCCCC4)cc3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.63780206
50478,COc1ccc(OCCS(C)(=O)=O)cc1N1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.27959248
50479,COc1ccccc1N1CCN(CCN2CCC(n3cc(-c4ccccc4Cl)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.89138925
50480,COc1ccccc1N1CCN(CCN2CCC(n3ccc(-c4ccccc4O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80554026
50481,Cc1cc(OCCCN2CCC(Cc3ccc4ccccc4n3)CC2)ccc1OOS(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5546541
50482,Cc1cc(OCCCS(N)(=O)=O)ccc1OCCOc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.14033425
50483,Cc1cc(OCCN2CCC(Cc3ccc(F)cc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.5278718
50484,Cc1cc(OCCN2CCNCC(CCc3ccc(F)cc3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.37265462
50485,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCN(c2ccccc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1577017
50486,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)CCCC3)ccc1ONCC=O,[*]CCOc1ccc(O[*])c([*])c1,0.045995094
50487,O=[N+]([O-])Cc1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5720381
50488,O=c1ccc(C(F)(F)F)cn1CCCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6000946
50489,OCc1cccc2c1CN1CCc3cc(Cc4cccs4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7428888
50490,CCCCNc1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48981586
50491,CCCOc1ccc(ON)c(N2CCN(Cc3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.7944076
50492,CCCOc1ccc(OS(C)(=O)=NO)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06421693
50493,CCCOc1ccc(OS(C)(=O)=O)c(COCC2CCCc3ccc(C(=O)NC)cc32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.22673616
50494,CCCOc1ccc(OS(C)(=O)=O)c(S(=O)(=O)Cc2ccc(F)c(NS(C)(=O)=O)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10455023
50495,CCCc1ccc(-c2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8023713
50496,CCOc1cccc(CN2CCN(CCOc3ccc(OOC)c(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.46060073
50497,CCOc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc4cccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77352554
50498,CCOc1ccccc1N1CCN(CCOc2ccc(OOS(C)(=O)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6764708
50499,CN(C)c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.79219466
50500,CNc1cc2c(cc1O)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56013554
50501,COCCOc1ccc(OC)c(CCCc2ccc3c(c2)NC(=O)CCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27641213
50502,COCc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8448084
50503,COc1cc2c(cc1-c1ccc(C#N)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74663293
50504,COc1cc2c(cc1C[N+](C)=O)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.739577
50505,COc1cc2c(cc1O)C1Cc3cccc(CS(=O)(=O)O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7939548
50506,COc1cc2c(cc1OC)C1Cc3cccc(Cc4cc5cc(C#N)ccc5[nH]4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6322729
50507,COc1ccc(OCCC(N)=O)cc1CN1CCN(c2cccc(C(F)(F)F)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.53566545
50508,COc1ccc(OCCCCCc2ccc3c(c2)NC(=O)CCC3)cc1C#N,[*]CCOc1ccc(O[*])c([*])c1,0.21989131
50509,COc1ccc(OCCCCCc2ccc3c(c2)NC(=O)CCC3)cc1S(=O)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.22264062
50510,COc1ccc(OCCCCc2ccc(F)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.10037699
50511,COc1ccc(OCCN2CCC(NC(=O)c3cccc(C(C)C)c3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.50957865
50512,COc1ccc(OCCNS(=O)(=O)c2cc(C(C)C)ccc2C)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.0552345
50513,COc1cccc(CN2CCN(CCCC(=O)c3cccs3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5332253
50514,COc1cccc(CN2CCN(CCCCSc3ccc(F)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.619741
50515,COc1cccc(CN2CCN(CCCN=S(C)(=O)c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5713268
50516,COc1ccccc1S(=O)(=O)COc1ccc(OCCN2CCN(C)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.36861312
50517,CS(=O)(=O)C1CCN(CCN2CCN(c3ccccc3NCC3CCc4ccc(O)cc4O3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.41793075
50518,CS(=O)(=O)Nc1cc2c(cc1CO)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4512052
50519,CSc1ccc(CC2CCN(Oc3ccc(OCCNS(C)(=O)=O)cc3S(C)(=O)=O)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.22460559
50520,Cc1cc(OCCCCCc2ccc3c(c2)NC(=O)CC3)ccc1ON1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.23790155
50521,Cc1cc(OCCN2CCC(C(=O)c3ccc(F)cc3)C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.4356898
50522,Cc1cc(OCCN2CCC(Cc3ccc(OC4CCCC4)cc3)C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.37393042
50523,Cc1cc(OCCNC(=O)CCc2ccc3c(c2)CC(=O)CC3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.05256412
50524,Cc1cc(OCCNS(=O)(=O)c2ccc(C(C)C)cc2)ccc1ON1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.13124608
50525,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.25024226
50526,Cc1cc2c(cc1-c1cccc(OC(F)(F)F)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.546794
50527,Cc1cc2c(cc1Nc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41348934
50528,Cc1ccccc1N1CCN(CCN2CCC(Nc3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6626241
50529,Clc1cccc(CN2CCN(CCCC3=CCCN3c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7396039
50530,N#Cc1ccc(OC(=O)Nc2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.467098
50531,C=Cc1cccc(Cc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71212256
50532,CCCOc1ccc(OCF)c(N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08248936
50533,CCCOc1ccc(OS(=O)(=O)NC)c(N2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3241721
50534,CCCOc1ccc(OS(=O)(=O)[O-])c(NCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0775069
50535,CCCOc1ccc(OS(N)(=O)=O)c(C2CCN(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.56332564
50536,CCOc1cccc(CN2CCN(CCCN3CCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.61968756
50537,CCOc1cccc2c1CN1CCc3cc(-c4cccc(C#N)c4)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62727875
50538,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccccc4)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8095407
50539,COC1CCN(CCN2CCN(c3ccccc3-n3cc(-c4ccc(O)cc4)nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6963641
50540,COC1CCN(CCN2CCN(c3ccccc3CC(=O)Nc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5692607
50541,COOc1ccc(OCCNC(=O)Cc2cccc(OC)c2)cc1CCN1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21750663
50542,COOc1ccc(OCCc2ccc(F)cc2)cc1CNC=O,[*]CCOc1ccc(O[*])c([*])c1,0.074636884
50543,COc1cc2c(cc1C(=O)OCc1ccc(CO)cc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4424424
50544,COc1cc2c(cc1C(N)CCc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.752507
50545,COc1cc2c(cc1O)C1Cc3cccc(C=Nc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7524529
50546,COc1cc2c(cc1O)CCN1Cc3c(CC(=O)Nc4cccc5ccccc45)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.23847462
50547,COc1ccc(-c2cc(C(=O)NCCN3CCN(O)CC3)ccc2C)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.25585988
50548,COc1ccc(Cc2cccc3c2CN2CCc4cc(O)c(C)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61036247
50549,COc1ccc(NC(=O)Nc2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.31841984
50550,COc1ccc(OCCCCCc2ccccc2)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09860962
50551,COc1ccc(OCCN2CCC(C(F)F)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.55043596
50552,COc1ccc(OCCNC(C)=O)cc1N1CCC(Cc2ccc(OC3CCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.20069613
50553,COc1ccc(OCCNS(=O)(=O)c2cccc(C(C)C)c2)cc1N1CCNCC1,[*]CCOc1ccc(O[*])c([*])c1,0.43842602
50554,COc1ccc(OCCNS(C)(=O)=O)cc1OC1CCN(Cc2ccc(Cl)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.46266556
50555,COc1cccc(CN2CCN(CCCc3cccc(C=S(C)(=O)O)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5256182
50556,COc1cccc(CN2CCN(CCCc3cccs3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.65875244
50557,COc1cccc2c1CN1CCc3cc(-c4cc(CO)c5ccccc5c4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71584386
50558,COc1cccc2c1CN1CCc3cc(C(=O)Nc4cccc(Cl)c4Cl)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.35017115
50559,COc1cccc2c1CN1CCc3cc(C(C)=O)c(Oc4ccc(CO)cc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.49640527
50560,COc1cccc2c1CN1CCc3cc(OC(C)=O)c(OCc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42779166
50561,COc1ccccc1N1CCN(CCN2CCC(c3ccc(NC(N)=O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69447184
50562,Cc1cc(OCCN2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5121803
50563,Cc1cc(OCCNCC2(O)CCN(Cc3ccc(F)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.31544438
50564,O=C(NCc1ccccc1)OCc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68409973
50565,O=C(c1ccccn1)C1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72192186
50566,O=C1N(CCCN2CCN(Cc3cccc(F)c3)CC2)C(=O)N1c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68747693
50567,Oc1cc2c(cc1-c1ccoc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6514592
50568,Oc1cccc2c1CN1CCc3cc(CNCc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6364621
50569,[O-]c1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6045004
50570,CC(=O)NOc1ccc(OCCN2CCN(c3cccc(F)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.60696185
50571,CC(=O)Nc1cccc(C2CCN(Oc3ccc(OCCN=S(C)(=O)O)cc3C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19830802
50572,CCC(=O)c1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6138839
50573,CCCOc1ccc(OOC)c(C2CCCN(c3ccccc3OCC)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4104291
50574,CCCOc1ccc(OS(C)(=O)=O)c(C(CC)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.070677035
50575,CCCSc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5428449
50576,CNC(=O)c1ccc(-c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47376877
50577,COC1CCN(CCN2CCN(c3ccccc3-c3cc(-c4ccccc4)ncn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7763137
50578,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3cnc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6762634
50579,COCCCN1CCN(Cc2cccc(Cc3cccc4ccccc34)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56903136
50580,COc1cc(C(=O)NCCN2CCN(C)CC2)ccc1-c1cccc(C)c1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.21897225
50581,COc1cc2c(cc1CO)CCN1Cc3c(cccc3OCc3ccc4ccccc4c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6565097
50582,COc1cc2c(cc1O)C1Cc3cccc(OC(=O)C(F)(F)F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.58075094
50583,COc1cc2c(cc1O)CCN1Cc3c(cccc3NC(=O)c3ccc(F)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.29869598
50584,COc1cc2c(cc1OC)C1Cc3cccc(C=[N+](O)c4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74957526
50585,COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(Cc4ccc(C#N)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6596114
50586,COc1ccc(COc2cc3c(cc2O)CCN2Cc4c(cccc4C(C)=O)CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5095067
50587,COc1ccc(OCCCF)cc1CN1CCCC(C(=O)c2ccc(SC)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.1919637
50588,COc1ccc(OCCCNC(=O)c2cccc(SC)c2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.04088968
50589,COc1ccc(OCCN2CCC(CCc3ccccc3)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.6016189
50590,COc1ccc(OCCN2CCCC(C(=O)c3ccc(F)cc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.33282536
50591,COc1ccc(OCCS(=O)(=O)NC(C)=O)cc1N1CCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.14107913
50592,COc1ccc(OCCS(C)(=O)=O)cc1C(O)COc1ccc(CF)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.043465376
50593,COc1ccc(OCC[SH](C)(=O)O)cc1N1CCCC(CCc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.23405136
50594,COc1ccc2ccc(COc3cccc4c3CN3CCc5cc(OC)c(O)cc5C3C4)cc2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6774164
50595,COc1cccc(Oc2cc3c(cc2OC)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8547108
50596,COc1cccc2c1CN1CCc3cc(-c4ccc(CF)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7250462
50597,COc1ccccc1N1CCN(CCN2CCC(c3ccc(Br)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8655992
50598,CSOc1ccc(OCCNC=Cc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.11986558
50599,Cc1cc(OCCCN2CCC(c3ccc(F)cc3)CC2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.7272571
50600,Cc1cc(OCCN2CCC(Oc3ccccc3C3CCCCN3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.50457925
50601,Cc1cc(OCCN=S(C)(=O)O)ccc1OCCN1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.33814794
50602,Cc1cc(OCCNS(C)(=O)=O)ccc1OCN1CC(C)CC(c2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.19479765
50603,Cc1ccccc1N1CCN(CCN2CCC(CNC(=O)NC(C)(C)C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6748144
50604,Clc1cccc(CN2CCN(CCCCNc3ccc4ccccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5545545
50605,O=c1ccc2ccc(OCc3cccc(CN4CCN(CCCF)CC4)c3)cc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66484207
50606,Oc1ccc2ncc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)n2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6633974
50607,CC(=O)NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8372649
50608,CC1CCN(CCN2CCN(c3ccccc3COc3ccncc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6688892
50609,CCC(=O)c1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.56594753
50610,CCCOc1ccc(OCCOc2ccccc2CC)c(NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1266863
50611,CCCOc1ccc(OCS(C)(=O)=O)c(N2CCC(Cc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3385888
50612,CCCOc1ccc(ON)c(C(C)COc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10209211
50613,CCCOc1ccc(OS(C)(=O)=O)c(CC2Cc3ccc(F)cc3NC2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3034141
50614,CNCCOc1ccc(OC)c(NCc2cccs2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10678333
50615,COC1CCN(CCN2CCN(c3ccccc3-c3cc(F)ccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7954052
50616,COC1CCN(CCN2CCN(c3ccccc3-c3cccnc3-c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7573711
50617,COC1CCN(CCN2CCN(c3ccccc3Oc3ccc4nc(O)oc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76253
50618,COCCOc1ccc(OC)c(-c2cccc(C(C)C)n2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08132083
50619,COCCOc1ccc(ON2CCN(C(C)c3ccc(F)cc3)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24703856
50620,CON1CCN(CCNC(=O)c2ccc(C)c(-c3ccccc3C=O)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.28352883
50621,COOc1ccc(OCCNS(=O)Cc2ccc(C(C)C)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.12271984
50622,COc1cc2c(cc1C=CCc1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6482212
50623,COc1cc2c(cc1Cc1ccccn1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70526063
50624,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1cccc(Cl)n1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3385587
50625,COc1ccc(C=Nc2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65249187
50626,COc1ccc(CCOc2ccc(OC)c(NS(C)(=O)=O)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07700882
50627,COc1ccc(OCCCCCc2ccc3c(c2)NC(=O)CC3)cc1N=S(=O)(O)O,[*]CCOc1ccc(O[*])c([*])c1,0.19774722
50628,COc1ccc(OCCCN2CCN(c3ccccc3C(C)C)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.897581
50629,COc1ccc(OCCN2CCCC(COc3ccc(F)cc3)C2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.44127664
50630,COc1ccc(OCCN2CCN(c3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.78347397
50631,COc1ccc(OCCN=S(C)(=O)O)cc1NC(=O)Cc1ccc(C2CCNCC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.030142087
50632,COc1ccc(OCCNS(C)(=O)=O)cc1Cc1ccc(OCC(F)(F)F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.08268232
50633,COc1ccc(OCCOS(C)(=O)=O)cc1C1CCN(CCc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.67135924
50634,COc1cccc(CN2CCN(CCCOc3cccc(-c4cccs4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5950843
50635,COc1cccc2c1CCCC2c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60554403
50636,COc1ccccc1CCCCOc1ccc(OC)c(N=S(C)(=O)O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10914407
50637,COc1ccccc1N1CCCCC1CNCCOc1ccc(ONS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15416571
50638,Cc1cc(OCCN(C)C)ccc1ONS(=O)(=O)c1ccc(C(C)C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.08985347
50639,Cc1cc(OCCN2CCC(c3ccccc3)CC2)ccc1OS(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.59780574
50640,Cc1cc(OCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.70033413
50641,Cc1cc(OCCNCCc2cccc3c2NC(=O)CC3)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.17039034
50642,Cc1cc(OCCNCS(C)(=O)=O)ccc1ON1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.30273
50643,Cc1cc(OCCNS(C)(=O)=O)ccc1OCn1ccc(Cc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14140382
50644,Cc1ccc(CNC(=O)c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43559447
50645,Cc1cccc(CN2CCN(CCCO)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6073857
50646,FC(F)(F)CCCN1CCN(Cc2cccc(Cn3ccc(-c4ccccc4)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5849644
50647,O=C1Cc2ccccc2N1Cc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.646251
50648,CC(C)(C)NC(=O)NCc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66817653
50649,CCCOc1ccc(OC)c(CN2CCN(C(=O)c3cccc(SC)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07623527
50650,CCCOc1ccc(ONS(C)(=O)=O)c(CCCc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2519965
50651,CCCOc1ccc(OOC)c(N2CCC(Oc3ccccc3C(C)C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38816735
50652,CCCOc1ccc(OOC)c(N2CCCN(c3ccccc3C(F)(F)F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32779977
50653,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCC(c3ccc(CC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3054355
50654,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3ccc4cc(C)oc4c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24221404
50655,CCc1cc(OCCN2CCN(c3ccc(F)cc3)CC2)ccc1OOC,[*]CCOc1ccc(O[*])c([*])c1,0.79515195
50656,COC(=O)c1cc2c(cc1OCc1ccccc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47473222
50657,COC1CCN(CCN2CCN(c3ccccc3-c3cc(C(=O)O)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76089144
50658,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(F)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8099481
50659,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccc(Cl)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.45189014
50660,COOc1ccc(OCCN2CCC(c3ccc(C(C)=O)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.52956855
50661,COOc1ccc(OCCNS(=O)(=O)c2cc(F)ccc2C(C)=O)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.017265072
50662,COc1cc2c(cc1Br)CCN1Cc3c(Cc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66330135
50663,COc1cc2c(cc1C)CCN1Cc3c(Cc4ccc(C#N)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61749154
50664,COc1cc2c(cc1Cn1ccc(C#N)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7093032
50665,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(OC)c5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6720153
50666,COc1cc2c(cc1OC)C1Cc3cccc(OC4CCCCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.712356
50667,COc1ccc(C(=O)NCCN2CCN(Oc3ccccc3)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.33570257
50668,COc1ccc(OCCC(C)Cc2ccc(F)cc2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.07532158
50669,COc1ccc(OCCCCN2CCCCC2)cc1-c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.5012026
50670,COc1ccc(OCCF)cc1CNCc1cccc(OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09892939
50671,COc1ccc(OCCNS(=O)(=O)c2ccc(C(C)C)cc2)cc1NC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.025521148
50672,COc1ccc(OCCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.034476615
50673,COc1ccc(OCCNS(C)(=O)=O)cc1NCCCC1CCc2cccc(c2)OC1,[*]CCOc1ccc(O[*])c([*])c1,0.17107566
50674,COc1cccc(CNCc2cc3c(cc2OC)CCN2Cc4c(cccc4OC)CC32)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40452516
50675,COc1ccccc1N1CCN(COc2ccc(OCCc3ccc(F)cc3)cc2CCF)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6750917
50676,CS(=O)(=O)Oc1ccc(OCCN2CCCCC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.27994886
50677,CSc1ccc(C(=O)C2CCN(CCOc3ccc(ON=S(C)(=O)O)c(C)c3)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.49446878
50678,CSc1ccccc1N1CCN(CCN2CCC(n3cnc(-c4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73975325
50679,Cc1cc(OCCN2CCCC(COc3ccccc3)C2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.39444605
50680,ClC1CCN(CCN2CCN(c3ccccc3-c3cc4cccnc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7201386
50681,Fc1ccccc1N1CCN(CCN2CCC(c3ccncn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6503001
50682,O=COc1cccc2c1CN1CCc3cc(OCc4ccccc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64358085
50683,O=S1(=O)Cc2ccccc2N1c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70848715
50684,Oc1nc2cc(F)ccc2n1C1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79942465
50685,CCCNC(=O)c1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5179994
50686,CCCOc1ccc(ON2CCC(Oc3ccccc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4883201
50687,CCCOc1ccc(ON2CCN(c3ccccc3OCC(F)(F)F)CC2)c(OCC=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37760347
50688,CCCOc1ccc(ONC(C)=O)c(CCCc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21649185
50689,CCCOc1ccc(OS(=O)(=O)NC)c(NC(=O)Cc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.064496696
50690,CCOc1ccccc1N1CCN(CCN2CCC(c3ccc4cccnc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80950224
50691,CCOc1ccccc1N1CCN(CCN2CCC(n3cc(C)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8456125
50692,CCc1ccccc1-c1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6346264
50693,CN1CCN(CCNC(=O)c2ccc(O)c(-c3ccccc3Cl)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3853342
50694,CN1c2ccccc2C(c2cccc(CN3CCN(CCCF)CC3)c2)CS1(=O)=O,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63280916
50695,COCc1ccccc1CCCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.60704386
50696,COc1cc2c(cc1CNc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.52122056
50697,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc5c(OC)cccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66632605
50698,COc1cc2c(cc1O)C1Cc3cccc(C(=O)c4c[nH]c5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51720077
50699,COc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1cccc(F)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3024825
50700,COc1ccc(C(=O)NCCN2CCN(Oc3ccccc3)CC2)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3130833
50701,COc1ccc(CN(C)c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74583715
50702,COc1ccc(OCCCCNC(=O)c2cccc(C3CCCN3)c2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09660238
50703,COc1ccc(OCCCN2CCC(c3ccccc3)CC2)cc1OS(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.8082863
50704,COc1ccc(OCCN2CCC(c3ccccc3C)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.47103366
50705,COc1ccc(OCCNS(=O)(=O)c2ccccc2SC)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.10600028
50706,COc1ccc(OCCS(C)(=O)=O)cc1-c1coc2ccc(F)cc12,[*]CCOc1ccc(O[*])c([*])c1,0.07228219
50707,COc1ccc(OCCSCCc2ccc(F)cc2)cc1NS(=O)(=O)c1ccc(NC(C)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.022557938
50708,COc1ccc2c(c1)C(c1cccc(CN3CCN(CCCCl)CC3)c1)CNC2,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6561152
50709,COc1cccc(CNc2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40803626
50710,COc1ccccc1C(=O)Nc1ccccc1N1CCN(CCN2CCC(C)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.40792722
50711,COc1ccccc1N1CCN(CCN2CCC(COc3ccc(C(F)(F)F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9103718
50712,COc1ccccc1N1CCN(CCN2CCC(NS(=O)(=O)c3ccc(F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78749734
50713,COc1ccccc1N1CCN(CCN2CCC(Oc3ccc4ncccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80017745
50714,CSc1ccccc1N1CCN(CCN2CCC(c3cccc(-c4ccccn4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7689922
50715,Cc1cc(OCCN2CC(c3ccccc3)=CC(O)C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.2978934
50716,Cc1cc(OCCN2CCC(CCc3ccccc3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6223527
50717,Cc1ccc(-c2cccc(CN3CCN(CCCOC(F)(F)F)CC3)c2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49392638
50718,O=c1ccc2ccccc2n1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7003049
50719,OC1CCN(CCN2CCN(c3ccccc3-n3cnc(-c4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.73817915
50720,Oc1cc2c(cc1C=NOCc1ccc(Cl)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66660625
50721,Oc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(C4CCCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5685773
50722,Oc1cccc(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8219823
50723,CC(O)c1cccc(CN2CCN(CCCN3c4ccccc4CS3(=O)=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57858825
50724,CC1CCN(CCN2CCN(c3ccccc3-c3cc(-c4ccccc4)on3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6470533
50725,CC=[SH](O)=Nc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6461609
50726,CCC(COc1ccc2c(c1)NCCC2)Nc1cc(OCCS(C)(=O)=O)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.23516852
50727,CCCOc1ccc(OC(=O)OCC)c(N2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.10342093
50728,CCCOc1ccc(O[SH](C)(=O)O)c(N2CCC(Oc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27423507
50729,CCCOc1ccc(Oc2ccccc2OCCF)c(CN(C=O)C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16182032
50730,CCOc1cc2c(cc1O)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64752126
50731,CCSc1cc(OCCN2CCN(C(=O)c3ccc(F)cc3)CC2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.19544064
50732,CCc1ccc2c(c1)CC(CCNc1cc(OCCS(C)(=O)=O)ccc1OC)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.3318956
50733,CN(C)C(=O)c1c[nH]c(-c2cc3c(cc2O)C2Cc4cccc(Cl)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3697328
50734,CNOc1ccc(OCCN2CCC(c3ccccc3OC3CCC3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.4802455
50735,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccc(C#N)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67915773
50736,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3cccnn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.41685125
50737,COc1cc2c(cc1-c1cccc(CO)c1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.585125
50738,COc1cc2c(cc1O)CCN1Cc3c(COc4ccccc4C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7578318
50739,COc1ccc(Br)cc1Oc1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.821587
50740,COc1ccc(C(=O)NCCN2CCN(c3cccc(F)c3)CC2)cc1OC,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.64816344
50741,COc1ccc(OCCCCNC(=O)c2cccc(N3CCCCC3)c2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.09155701
50742,COc1ccc(OCCCSCc2ccc(F)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09395471
50743,COc1ccc(OCCN2CCCC(CCc3ccc(F)cc3)C2)cc1OS(=O)(=O)C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.3272264
50744,COc1ccc(OCCOS(C)(=O)=O)cc1C(F)COc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.22407733
50745,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(c2ccc(OCC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.29261866
50746,COc1cccc(CN2CCN(CCCSN3C(=O)c4ccccc4S3(=O)=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48118827
50747,COc1cccc(CN2CCN(CCCc3cccc4ccc(=O)oc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4982339
50748,COc1cccc2c1CCC(Nc1cccc(CN3CCN(CCCCl)CC3)c1)C2,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5530107
50749,COc1ccccc1N1CCN(CCN2CCC(c3ccccc3Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9303873
50750,CSOc1ccc(OCCNCc2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.18370172
50751,Cc1ccccc1N1CCN(CCN2CCC(C(=O)NC(=O)c3ccc4ccccc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5916225
50752,Cc1ccccc1N1CCN(CCN2CCC(Cc3cc4ccccc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6482475
50753,Fc1ccc(NC2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)nc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7949022
50754,O=C(c1cccc(CN2CCN(CCCF)CC2)c1)C1Cc2ccccc2C(=O)N1c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5498128
50755,O=C1c2ccccc2S(=O)(=O)N1CCCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.76336366
50756,OCc1ccc(COc2cc3c(cc2O)CCN2Cc4c(cccc4-c4ccccc4)CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5600726
50757,Oc1cccc2c1CN1CCc3cc(-c4ccc(Nc5ccccc5)cc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4787891
50758,CC=S(O)Oc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.8141791
50759,CCCCN1CCN(Cc2cccc(NC(=O)c3ccc4ccccc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.32849827
50760,CCCCc1ccc(CCOc2ccc(OC)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06374666
50761,CCCOc1ccc(OC(=O)NSC)c(N2CCC(c3ccc(Cl)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1849421
50762,CCCOc1ccc(OCN2CCN(c3ccccc3OC(C)C)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.74693024
50763,CCCOc1ccc(ONC(=O)CCc2ccccc2)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5659417
50764,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCC(c3ccc(F)cc3)C(=O)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24247752
50765,CCCOc1ccc(Oc2cc3ccccc3n2Cc2ccc(F)cc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16365434
50766,CCOCCCN1CCN(Cc2cccc(-c3cc4ccccc4s3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5366917
50767,CCOCCOc1ccc(OC)c(NS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.070847034
50768,CCOc1ccccc1N1CCN(CCOc2ccc(OOC(C)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6254157
50769,CCc1cc2c(cc1-c1cccs1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7034034
50770,CCc1cc2c(cc1Br)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69712365
50771,CON1CCN(CCNC(=O)c2ccc(C)c(-c3cccc4ccccc34)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3057173
50772,COOc1ccc(OCCc2ccc(C(C)=O)nc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.056938235
50773,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3ccc(C(C)=O)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5273032
50774,COc1cc2c(cc1OC)C1Cc3cccc(CNC4CCCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6401503
50775,COc1ccc(C(=O)NCCN2CCN(C(C)=O)CC2)cc1-c1ccccc1C#N,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.21446204
50776,COc1ccc(OCCN2CCCC(C(=O)c3ccc(F)cc3)C2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.36512128
50777,COc1ccc(OCCN2CCN(c3ccc(OCC(F)(F)F)cc3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.82879156
50778,COc1ccc(OCCNS(=O)(=O)c2cccc(Cl)c2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08751125
50779,COc1ccc(OCCNS(C)(=O)=O)cc1CCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.09881729
50780,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Cc2ccc(SC)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.24917488
50781,COc1ccc(OCCS(C)(=O)=O)cc1NC(=O)COc1ccc(CF)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.008350707
50782,COc1cccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2N)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.3632531
50783,COc1cccc2c1CN1CCc3cc(-c4ccccc4C#N)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6732224
50784,COc1cccc2c1CN1CCc3cc(C#N)c(Oc4ccccc4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6845626
50785,Cc1cc(OCCF)ccc1ON1CCN(Cc2cccs2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.47468957
50786,Cc1cc(OCCN2CCC(Cc3ccc4oc(O)cc4c3)CC2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.410233
50787,Cc1cc(OCCN2CCC(c3occc3C)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.49028972
50788,Cc1cc(OCCN2CCN(C)CC2)ccc1ONC(=O)Cc1ccc2ccccc2c1,[*]CCOc1ccc(O[*])c([*])c1,0.16397546
50789,Cc1cc(OCCNS(=O)(=O)c2ccc(F)cc2)ccc1OCOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.07559762
50790,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCC(c2ccc(CC(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2167683
50791,Cc1ccc(OCC(=O)NOc2ccc(OCCN=S(C)(=O)O)cc2C)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.010056482
50792,N#Cc1cccc([N+](=O)c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5865157
50793,Oc1ccc2c(F)ccc(Oc3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)c2n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7149392
50794,Oc1ccccc1N1CCN(CCN2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7088183
50795,Oc1ccnc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6667287
50796,[O-]OCc1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5843577
50797,c1ccc(OCCCN2CCN(Cc3cccc(-c4cccc5ccccc45)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6032122
50798,C=Cc1ccc(COC(=O)c2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5309587
50799,CC(=O)NCCOc1ccc(OCN2CCC(Cc3ccc4c(c3)NC(=O)CCS4)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23540558
50800,CCCOc1ccc(OC)c(CS(=O)(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.049112823
50801,CCCOc1ccc(OCn2ccc(CCCF)c2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.13129571
50802,CCCOc1ccc(OOS(C)(=O)=O)c(C(=O)COc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08869935
50803,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCC(Oc3ccc(C(C)=O)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.20443197
50804,CCOc1ccccc1N1CCN(CCN2CCC(c3ccc(Cl)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7676448
50805,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(CNC(=O)c4ccc5ccccc5c4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8305689
50806,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3cc4ccccc4[nH]3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75435084
50807,COCCCN1CCN(Cc2cccc(N3CCCCC3c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57298243
50808,COc1cc(C(=O)NCCN2CCN(c3ccccc3)CC2)ccc1C=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.6367133
50809,COc1cc2c(cc1-c1cccc(Cl)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70202315
50810,COc1cc2c(cc1O)C1Cc3cccc(C4=CC=C(C)[N+](O)C=C4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5814971
50811,COc1ccc(-c2cc3c(cc2OC)C2Cc4cccc(Cl)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6408182
50812,COc1ccc(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1-c1ccccc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.28306574
50813,COc1ccc(CNC(=O)C2CCN(CCN3CCN(c4ccccc4OC)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.86611885
50814,COc1ccc(OCCN2CCc3ccccc3C2C)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.56912744
50815,COc1ccc2c(c1)CC(CNCCOc1ccc(ONS(C)(=O)=O)c(C)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.2674312
50816,COc1cccc(CN2CCN(CCCc3cc(-c4cccs4)co3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6058003
50817,COc1cccc2c1CN1CCc3cc(Cc4ccco4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7063048
50818,COc1ccccc1-c1ccc(C(=O)NCCN2CCN(O)CC2)cc1C(C)=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.36275256
50819,COc1ccccc1N1CCN(CCOc2ccc(OOC(C)=O)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7503863
50820,CSc1ccccc1N1CCN(CCN2CCC(c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7701779
50821,Cc1cc(OCCCF)ccc1ONS(=O)(=O)c1cccc(C(N)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.028032891
50822,Cc1cc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)ccc1ON1CCCS(=O)(=O)N1,[*]CCOc1ccc(O[*])c([*])c1,0.5857178
50823,Cc1cc(OCCN2CCC(OCc3ccc4c(c3)NC(=O)CCC4)C2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.46410662
50824,Cc1cc(OCCN2CCC(Oc3ccc(Cl)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5425693
50825,Cc1cc(OCCNC(=O)COc2ccccc2)ccc1ON1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.029652024
50826,Cc1ccc(NCc2ccccc2N2CCN(CCN3CCC(C)CC3)CC2)nc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.61345327
50827,FC(F)(F)c1cccc(CN2CCN(CCCCN3CCc4ccccc43)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.73783004
50828,Fc1ccc(-c2cc(C3CCN(CCN4CCN(c5ccccc5Cl)CC4)CC3)no2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72331756
50829,O=C(c1ccc(F)cc1)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55356634
50830,O=C1COc2ccccc2N1CCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5941987
50831,O=c1ccc(F)c(CCCN2CCN(Cc3cccc(Cl)c3)CC2)o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6981892
50832,ON=CCc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6447012
50833,Oc1ccccc1N1CCN(CCN2CCC(C(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7912037
50834,CCC(C)(C)C(=O)Nc1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.2691406
50835,CCCCN1CCN(Cc2cccc(-c3ccccn3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56413406
50836,CCCOc1ccc(ON)c(N2CCC(c3cc(NC(C)=O)ccc3F)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14161985
50837,CCCOc1ccc(ON2CCN(c3cccc(OCC(F)(F)F)c3)CC2)c(SC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2684394
50838,CCCOc1ccc(OOC)c(N2CCN(c3cccc(C(C)C)c3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.41320726
50839,CCCOc1ccc(OOS(C)(=O)=O)c(CCOc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24566312
50840,CCCOc1ccc(OOS(C)(=O)=O)c(NC(=O)COc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.007866749
50841,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3ccc4ccccc4c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28592807
50842,CCCOc1ccc(OS(C)(=O)=O)c(NS(=O)(=O)Oc2ccccc2CCF)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12056977
50843,COC(=O)NCc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53273356
50844,COCCCN1CCN(Cc2cccc(-c3ccc(C(=O)N4CCCCC4)cc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.30114692
50845,COCCCN1CCN(Cc2cccc(CC(=O)NC3CCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.45641312
50846,COOc1ccc(OCCC(=O)Nc2ccc(F)cc2)cc1CCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.005358
50847,COc1cc2c(cc1Cc1cccs1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75132465
50848,COc1cc2c(cc1O)C1Cc3cccc(-c4cccc(CO)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68271595
50849,COc1cc2c(cc1O)C1Cc3cccc(C(=O)Nc4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41335437
50850,COc1cc2c(cc1O)CCN1Cc3c(CCc4ccc(O)cc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.80336475
50851,COc1ccc(-c2cc3c(cc2O)C2Cc4cccc(F)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7640345
50852,COc1ccc(OCCCCCc2ccc3c(c2)NC(=O)CCC3)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.18668959
50853,COc1ccc(OCCN2CCC(NC(=O)c3ccc(F)c(F)c3)CC2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.52982163
50854,COc1ccc(OCCN2CCC(c3cccc(NC(C)=O)c3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.59419435
50855,COc1ccc(OCCS(N)(=O)=O)cc1N1CCCC(Cc2ccc(F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.23148979
50856,COc1cccc(CN2CCN(CCCCN3c4ccccc4CC3C=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.77827394
50857,COc1ccccc1CCCN1CCN(Cc2cccc(SC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.71888804
50858,Cc1cc(OCCN2CCN(c3cccc(C(C)C)c3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5187365
50859,Cc1cc(OCCNCc2cc3ccccc3o2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.09644154
50860,Cc1cc(OCCNS(=O)(=O)c2ccccc2C=O)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.111250445
50861,Cc1cc(OCCNS(C)(=O)=O)ccc1ONCC1Cc2ccccc2CC1C,[*]CCOc1ccc(O[*])c([*])c1,0.25998253
50862,Clc1ccc(-c2cnc(-c3ccccc3N3CCN(CCN4CCC(Cl)CC4)CC3)cn2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.70085084
50863,Fc1cccc(CN2CCN(CCCCc3cccc(-c4ccccc4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7392333
50864,O=C(NC1CCN(CCN2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1)c1cccs1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.605879
50865,O=C(OCc1cccc(C(F)(F)F)c1)c1cccc2c1CN1CCc3cc(O)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5392187
50866,O=C(c1ccc(F)cc1)C1CCN(CCN2CCN(c3ccccc3OC(F)(F)F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7876587
50867,O=C1Nc2ccccc2CN1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.71352154
50868,O=NCc1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61653286
50869,OCc1ccc(COCc2cccc3c2CN2CCc4cc(Cl)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7409119
50870,Oc1cccc(CN2CCN(CCCCc3cnc(-c4ccccc4)o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7071728
50871,CC(=O)c1cc2c(cc1O)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53506756
50872,CCCOc1ccc(OC)c(N2CCN(S(C)(=O)=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17426355
50873,CCCOc1ccc(OCCOc2ccc(C(F)(F)F)cc2)c(N=S(C)(=O)O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07776163
50874,CCCOc1ccc(ON2CCC(C(=O)c3ccc(F)cc3)CC2)c(NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16503331
50875,CCCOc1ccc(ON2CCC(c3ccccc3OCC)CC2)c(NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4435471
50876,CCCOc1ccc(ONS(C)(=O)=O)c(CCCCc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09474327
50877,CCCOc1ccc(ONS(C)(=O)=O)c(CNCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.085379675
50878,CCCOc1ccc(OOC)c(CCNC(=O)c2cc(N3CCCC3)ccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.122809805
50879,CCCOc1ccc(OOC)c(N2CCC(Cc3ccc4c(c3)NC(=O)CCC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36334822
50880,CCCOc1ccc(OS(C)(=O)=O)c(CNC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.02328935
50881,CCCOc1ccc(OS(C)(=O)=O)c(N2CCN(c3ccccc3OCCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3089132
50882,CCCOc1ccc(OS(C)(=O)=O)c(NC(C)Cc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07864359
50883,CCOC(=O)NOc1ccc(OCCCN2CCN(c3ccccc3OC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.79821086
50884,CCOc1ccc(C2CCN(c3cc(OCC[SH](C)(=O)O)ccc3OC)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.21109948
50885,CNC(=O)c1ccc(Cc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4439683
50886,COC(=O)NOc1ccc(OCCNCCc2ccc3c(c2)NC(=O)CC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.10490663
50887,COC1CCN(CCN2CCN(c3ccccc3-c3ccc4ccn(-c5ccc(F)cc5)c4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.60791516
50888,COCCCN1CCN(Cc2cccc(CN3Cc4cccc5c4N(CCC5)C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64550257
50889,COCc1cc2c(cc1C)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6538583
50890,COc1ccc(COc2cccc3c2CN2CCc4cc(OC)c(OC(C)=O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48996755
50891,COc1ccc(OCCCNCc2cccs2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.14383353
50892,COc1ccc(OCCN2CCC(COc3ccc4c(c3)NC(=O)CC4)CC2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.59151196
50893,COc1ccc(OCCN2CCC(NC(=O)c3cccs3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5181202
50894,COc1ccc(OCCc2ccccc2OCC(F)(F)F)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13832213
50895,COc1ccc(OCCc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.19075291
50896,COc1cccc2ccc(-c3cc4c(cc3O)C3Cc5cccc(O)c5CN3CC4)c(O)c12,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67629135
50897,COc1ccccc1-c1ccc(-c2cccc(CN3CCN(CCCF)CC3)c2)o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56657565
50898,CSOc1ccc(OCCN2CCNC(CCc3ccccc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5319493
50899,Cc1cc(OCCCS(=O)(=O)c2ccc(F)cc2)ccc1ON1CCC(C)SC1,[*]CCOc1ccc(O[*])c([*])c1,0.20263785
50900,Cc1cc(OCCNC(=O)c2ccccc2)ccc1ON1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.11777267
50901,Cc1cc(OCCNS(=O)(=O)c2cccc(Cl)c2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.054701757
50902,Cc1cc(OCCNS(C)(=O)=O)ccc1ON1CCN(c2ccc(C(F)(F)F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.21704806
50903,Cc1cc(OCCNc2ccccc2OC(C)C)ccc1ON(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.03713786
50904,Cc1cc(OCCOCc2ccccc2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.09418228
50905,Clc1cccc(CN2CCN(CCCc3cc(C4CCCC4)no3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.596264
50906,N#Cc1cc2c(cc1O)C1Cc3cccc(F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73760587
50907,O=c1oc(-c2ccccc2)ccc1CCCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6998373
50908,Oc1cc2c(cc1C=Nc1ccccc1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61628604
50909,CC1CC(=O)N(c2cccc(CN3CCN(CCCOC(F)(F)F)CC3)c2)c2ccccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6802373
50910,CC1CCN(CCN2CCN(c3ccccc3-n3c(O)nc4cc(F)ccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67853713
50911,CCCOc1ccc(OC(=O)N2CCN(Cc3ccc(F)cc3)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16101663
50912,CCCOc1ccc(OCl)c(N2CCC(NC(=O)c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18491368
50913,CCCOc1ccc(OF)c(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6865945
50914,CCCOc1ccc(OOC(=O)C2CCCNC2)c(C(=O)Cc2ccc(C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07886246
50915,CCCc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7385564
50916,CCCc1ccc(OCCc2cc(OCCNS(C)(=O)=O)ccc2OC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.10081545
50917,CCOc1ccccc1-c1cc(OCCS(C)(=O)=O)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.10704815
50918,CN=S(=O)(O)Oc1ccc(OCCCCSc2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.05345082
50919,COC(=O)NOc1ccc(OCCN2CCC(c3ccc(C(C)=O)cc3)C2=O)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.14394622
50920,COC1CCN(CCN2CCN(c3ccccc3COc3ccc(-c4cccnc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7446695
50921,COCCOc1ccc(OC)c(CN2CCN(CC(C)=O)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.28671148
50922,COOc1ccc(OCCN2CCN(Cc3ccc(Cl)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5403392
50923,COc1cc2c(cc1CNc1ccc(C#N)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51780254
50924,COc1cc2c(cc1O)C1Cc3cccc(C(=O)NCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.53034145
50925,COc1cc2c(cc1O)C1Cc3cccc(OCc4cccc(C)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6718302
50926,COc1cc2c(cc1OC)C1Cc3cccc(OC(=O)[N+](C)=O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4768154
50927,COc1ccc(OCCC(C)Cc2ccccc2)cc1CN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.33046076
50928,COc1ccc(OCCCl)cc1CNCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.1941442
50929,COc1ccc(OCCN=S(C)(=O)O)cc1CCCc1ccccn1,[*]CCOc1ccc(O[*])c([*])c1,0.073608756
50930,COc1ccc(OCCS(=O)(=O)N(C)C)cc1N1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.33255634
50931,COc1ccc2cc(O)nc-2cc1-c1ccccc1N1CCN(CCN2CCC(OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7729151
50932,COc1cccc(CNC(=O)c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39392295
50933,COc1ccccc1N1CCN(CCN2CCC(Cc3cc4ccccc4o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7647623
50934,COc1ccccc1N1CCN(Oc2ccc(OCCNC(=O)COc3ccc4c(c3)NC(=O)CC4)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.16752441
50935,COc1ccccc1NC1CCN(CCN2CCN(c3ccccc3C(C)O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.45703998
50936,Cc1cc(OCCCl)ccc1ON1CCN(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.60526514
50937,Cc1cc(OCCF)ccc1OC(=O)NCC1CCN(Cc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.4677432
50938,Cc1cc(OCCF)ccc1OCN1CCN(C(=O)c2ccco2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.09384675
50939,Cc1cc(OCCNCCCc2ccc(F)cc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.25350833
50940,Cc1ccccc1N1CCN(CCN2CCC(Nc3nccc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.68143094
50941,Cc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccc(F)cc4)nc(O)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.61907965
50942,Fc1ccc(-n2ccc(C3CCN(CCN4CCN(c5ccccc5C(F)(F)F)CC4)CC3)n2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75605613
50943,Oc1cc2c(cc1O)C1Cc3cccc(Cc4cccc(F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68872225
50944,CCCCN1CCN(Cc2cccc(C(=O)N3CCc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.51349723
50945,CCCOc1ccc(OC)c(CN2CCC(C(=O)c3ccc(C(C)=O)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40997666
50946,CCCOc1ccc(OCCCc2ccccc2)c(C(=O)NC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07923982
50947,CCCOc1ccc(OCOC(C)C)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8332983
50948,CCCOc1ccc(OF)c(CN2CCC(c3ccc(S(C)(=O)=O)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3618938
50949,CCCOc1ccc(ON)c(CCNC(=O)c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.022229888
50950,CCCOc1ccc(ON)c(N2CCCC(c3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39161247
50951,CCCOc1ccc(ON2CCN(c3ccc(C(F)(F)F)cc3)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.31824288
50952,CCCOc1ccc(OOC)c(C2CCN(c3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3548573
50953,CCOc1ccccc1N1CCN(CCN2CCC(c3ncc(-c4ccccc4)s3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79591495
50954,CCS(=O)(=O)c1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65454835
50955,CCc1ccc(COC(=O)c2cc3c(cc2O)C2Cc4cccc(OC)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47807953
50956,COC1CCN(CCN2CCN(c3ccccc3C#Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8330343
50957,COCCCN1CCN(Cc2cccc(CN3CCN(c4ccccc4)C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.48395935
50958,COCCCN1CCN(Cc2cccc(N3C(C)c4ccccc4S3(=O)=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.553242
50959,COOc1ccc(OCCCN2CCCC(Cc3cccc(NC(C)=O)c3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.26082143
50960,COc1cc(S(C)(=O)=O)ccc1NC(=O)c1cc(OCCF)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.047599163
50961,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)NCc3ccc(C#N)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.540715
50962,COc1cc2c(cc1OC)C1Cc3cccc(OCc4cccc(O)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68398535
50963,COc1cc2c(cc1OC)C1Cc3cccc(Oc4ccc(C#N)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78155315
50964,COc1ccc(C(=O)NCCN2CCN(Cl)CC2)cc1-c1cccc(Cl)c1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.31030777
50965,COc1ccc(OCCCN2CCC(c3ccccc3OC3CC3)CC2)cc1C(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.71399873
50966,COc1ccc(OCCN2CCCC(C(=O)c3cccc(C)c3)CC2)cc1C(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.48378205
50967,COc1ccc2c(c1)C(=O)C(CNCCOc1ccc(ON)c(C)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.22996353
50968,COc1cccc(CN2CCN(CCCCN3c4ccccc4CCS3(=O)=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7360403
50969,COc1cccc(CN2CCN(CCCCc3ccccc3-c3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7188264
50970,COc1cccc(CN2CCN(CCCS(=O)(=O)c3ccc(F)cc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.47029448
50971,COc1cccc(CN2CCN(CCCSc3ccc4ccccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6117313
50972,COc1ccccc1-c1cccc(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7766538
50973,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc(O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7972507
50974,COc1ccccc1N1CCN(CCN2CCC(Nc3cccc(O)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.89163494
50975,CSOc1ccc(OCCN2CCC(NCc3ccccc3)C2=O)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.2729053
50976,Cc1cc(OCCNC(=O)COc2cccc(F)c2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.00955805
50977,Cc1cc(OCCNCCc2ccc(F)cc2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.15786451
50978,Cc1cc(OCCNS(C)(=O)=O)ccc1OC1CCN(Cc2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.41384247
50979,Cc1ccccc1N1CCN(CCN2CCC(n3cccnc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6613044
50980,FCCCN1CCN(Cc2cccc(-c3cccc(C=Cc4ccccc4)c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63287085
50981,O=C(NCc1ccccc1)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.44878885
50982,Oc1cccc2c1CN1CCc3cc(N=CCOc4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6842877
50983,CC(=O)S(=O)(O)=NOc1ccc(OCCNCc2ccccc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.15247817
50984,CCCCN1CCN(Cc2cccc(N3C(=O)COc4ccccc43)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6040871
50985,CCCOc1ccc(ON=S(C)(=O)O)c(-c2ccc(C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04596272
50986,CCCOc1ccc(ONS(C)(=O)=O)c(N2CCC(c3ccc(-c4ccccc4)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.35659236
50987,CCCOc1ccc(ONS(C)(=O)=O)c(NCC2CCC(Oc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.11668204
50988,CCCOc1ccc(OS(=O)(=O)O)c(N2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26373404
50989,CCOC(=O)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.47650895
50990,COC1CCN(CCN2CCN(c3ccccc3CNC(=O)c3cc(O)nc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.61336076
50991,COCCOc1ccc(OC)c(Cc2ccc(S(=O)(=O)OC(C)=O)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.025568603
50992,COCCOc1ccc(OC)c(NC(=O)c2cccc(C(C)=O)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.015417652
50993,CON1CCN(CCNC(=O)c2ccc(-c3cccc(C)c3)c(S(C)(=O)=O)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.29418892
50994,COc1cc2c(cc1-c1ccccc1)CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61422235
50995,COc1cc2c(cc1C(O)c1ccccc1)CCN1Cc3c(cccc3OCc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5507188
50996,COc1cc2c(cc1C)C1Cc3cccc(Cc4cccc(F)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6146456
50997,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(CN)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7448574
50998,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3ccsc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.78591573
50999,COc1cc2c(cc1OC)C1Cc3cccc(-c4cc(C#N)ccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7247337
51000,COc1ccc(CNC(=O)C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7331248
51001,COc1ccc(OCCC(C)=O)cc1Cc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.03702853
51002,COc1ccc(OCCCC(=O)c2ccc3c(c2)NC(=O)CC3)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.18888085
51003,COc1ccc(OCCN2CCC(c3ccccc3OC)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.75185853
51004,COc1ccc(OCCN2CCC(c3noc4cc(F)ccc34)CC2)cc1C(N)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6733154
51005,COc1ccc(OCCNCCc2ccccc2)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.21120524
51006,COc1cccc(Sc2cc3c(cc2OC)C2Cc4cccc(OC)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6617309
51007,COc1cccc2c1CN1CCc3cc(O)c(OCc4ccccn4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62978554
51008,COc1ccccc1CCNOc1ccc(OCCF)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.082553774
51009,COc1ccccc1N1CCN(CCN2CCC(c3cc(F)cc(F)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85191244
51010,COc1ccccc1N1CCN(CCN2CCC(c3cc4nc(Cl)cnc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76807183
51011,Cc1cc(OCCNC(=O)Cc2cccs2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.011395944
51012,Cc1ccc(C(=O)NCCN2CCN(O)CC2)cc1-c1ccc(Cl)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.2534008
51013,Cc1cccc(-c2cc3c(cc2O)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72003114
51014,Fc1ccc(-c2ccnc(C3CCN(CCN4CCN(c5ccccc5Cl)CC4)CC3)c2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.85784096
51015,N#Cc1cccc(COc2cccc3c2CN2CCc4cc(O)c(Cl)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.657474
51016,O=C(NCc1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1)c1cc2ccccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5400611
51017,O=C1Cc2ccccc2CC1c1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7401863
51018,O=c1c2ccccc2n(-c2cccc(CN3CCN(CCCCl)CC3)c2)n1-c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6469716
51019,Oc1cc2c(cc1C1CC1)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6502036
51020,CCCOc1ccc(OC2CCN(CCc3ccccc3)CC2)c(OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6866158
51021,CCCOc1ccc(ON2CCCC(Cc3ccccc3)C2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34162182
51022,CCON=Cc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.734117
51023,CCOc1ccccc1N1CCCN(CCOc2ccc(OC)c(SC)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6801988
51024,CCc1ccccc1OC1CCN(CCOc2ccc(OC)c(S(C)(=O)=O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.537549
51025,COC(=O)Nc1ccc(COc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41401774
51026,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccc(O)cc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75090843
51027,COC1CCN(CCN2CCN(c3ccccc3-c3cccc(C#N)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8667326
51028,COC1CCN(CCN2CCN(c3ccccc3-c3cn4ccccc4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.78206825
51029,COCCCN1CCN(Cc2cccc(C3CCc4ccc(OC)cc4C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6629205
51030,COCCCN1CCN(Cc2cccc(C3Cc4ccccc4N3C(C)=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6929536
51031,COOc1ccc(OCCCCCc2ccco2)cc1C(=O)c1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.06968582
51032,COOc1ccc(OCCN2CCC(c3ccc(OC4CCCC4)c(C(N)=O)c3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.48435476
51033,COc1cc2c(cc1O)CCN1Cc3c(cccc3Oc3ccccc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75969696
51034,COc1cc2c(cc1OC(C)=O)CCN1Cc3c(C)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.45323378
51035,COc1cc2c(cc1OC)C1Cc3cccc(-c4cc(C)ccc4OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7139139
51036,COc1ccc(C(=O)NCCN2CCN(O)CC2)cc1-c1cccc([N+](=O)[O-])c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.24428199
51037,COc1ccc(OCCC(N)=O)cc1-c1ccccc1CCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.034403116
51038,COc1ccc(OCCN(C)C)cc1-c1cccs1,[*]CCOc1ccc(O[*])c([*])c1,0.22698282
51039,COc1ccc(OCCN=S(C)(=O)O)cc1CC1CCc2ccc(CC3CCC3)cc2C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.22790925
51040,COc1ccc(OCCNC(=O)Cc2ccccc2)cc1N1CCN(S(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.073891774
51041,COc1ccc(OCCNCC2CCc3ccc(C(C)=O)cc3C2)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.15546209
51042,COc1ccccc1N1CCN(CCN2CCC(C3=Cc4ccc(cc4)N=C3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.69690186
51043,COc1ccccc1N1CCN(CCN2CCC(c3cncc(-c4ccccc4)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82804227
51044,COc1ccccc1N1CCN(CCN2CCC(n3c(O)cc4cc(Br)ccc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7749424
51045,COc1ccccc1S(=O)(=O)c1cc(OCCCNC(=O)c2ccc(Cl)cc2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.042609666
51046,CS(=O)(O)=NOc1ccc(OCCN2CCCC2=O)cc1N=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.16818307
51047,CSOc1ccc(OCCCCN2CC(O)Cc3ccccc32)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.24352123
51048,Cc1cc(OCCN2CCCC(Cc3ccc(F)cc3)C2)ccc1OOS(C)=N,[*]CCOc1ccc(O[*])c([*])c1,0.44647974
51049,Cc1cc(OCCN2CCCC(Oc3ccc(CCF)cc3)C2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.392948
51050,Cc1cccc2c1CN1CCc3cc(-c4ccsc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.67324454
51051,NOCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7464201
51052,NS(=O)(O)=Nc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.57070047
51053,O=C(NCCN1CCN(F)CC1)c1ccc(F)c(-c2ccccc2O)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.44084042
51054,O=c1ccc2ccccc2c(=O)n1-c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5748677
51055,CCCCN1CCN(Cc2cccc(C3c4ccccc4CS3(=O)=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6507347
51056,CCCOc1ccc(OCC(=O)Nc2ccc(F)cc2)c(NCc2ccc(OC)c(OC)c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.003718098
51057,CCCOc1ccc(OCc2ccccc2)c(OC(C)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.04175906
51058,CCCOc1ccc(OS(N)(=O)=O)c(N2CCC(c3ccc(CCC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3100658
51059,CCCOc1ccc(OSC)c(CCN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8417625
51060,CCCOc1ccc(Oc2ccccc2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.14541733
51061,CCCc1ccc(OCCc2cc(OCCS(N)(=O)=O)ccc2OC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07057705
51062,CCOC(=O)NCc1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.43552613
51063,CCOc1ccc2c(c1)C(=O)C(CNCCOc1ccc(OC)c(OC)c1)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.26915434
51064,CCc1ccc(OC)cc1-c1cccc2c1CN1CCc3cc(OC)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72465885
51065,CCc1cccc(CN2CCN(CCCc3cc4ccccc4o3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66984975
51066,COCCOc1ccc(OC)c(CN2CCC(c3cccc(F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.6313686
51067,COCc1cc2c(cc1O)C1Cc3cccc(-c4ccco4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6003895
51068,COc1cc2c(cc1C(=O)c1ccc(C#N)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4727533
51069,COc1cc2c(cc1CC1CCCCC1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5961392
51070,COc1cc2c(cc1Cc1cccc(N(C)C(C)=O)c1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5289547
51071,COc1cc2c(cc1OC)C1Cc3cccc(C(O)c4ccc(CO)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7152717
51072,COc1cc2c(cc1OCc1ccc(OC)c3ccccc13)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7264447
51073,COc1ccc(C(=O)NCCN2CCN(C)CC2)cc1-c1ccccc1OC(C)C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32423717
51074,COc1ccc(OCCC(=O)N=S(C)(=O)O)cc1N1CCC(Cc2ccccc2OC2CCCCC2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.121399745
51075,COc1ccc(OCCS(N)(=O)=O)cc1N1CCC(CC2=CC=C3C=CC(CCCCC2)O3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.19510503
51076,COc1cccc(CN2CCN(CCCCNC(=O)C3(c4ccccc4)CCC3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5290294
51077,COc1ccccc1-c1cc(C(=O)NCCN2CCN(OC)CC2)ccc1S(=O)(=O)[O-],[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.27988052
51078,COc1ccccc1NC(=O)c1cc(OCCNC(=O)c2ccc(C)s2)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.009246514
51079,CS(=O)(O)=Nc1ccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.62855875
51080,CSOc1ccc(OCCN2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.63695014
51081,Cc1cc(OCCN2CCC(c3ccc(F)cc3)CC2)ccc1ON=S(=O)(O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.5154452
51082,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCCC(Cc2ccc(OC3CCC3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.15849368
51083,Cc1cc(OCCNCCc2ccc3c(c2)NC(=O)CC3)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.18339983
51084,Cc1cc(OCCNCc2ccccc2)ccc1ON1CCC(O)=N[SH]1C,[*]CCOc1ccc(O[*])c([*])c1,0.24725832
51085,Cc1cc(OCCS(C)(=O)=O)ccc1ON1CCCC(c2ccc(OCC(F)(F)F)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.19975558
51086,Cc1ccccc1N1CCN(CCN2CCC(n3cc(Br)ccc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66023606
51087,O=C(CCCN1CCN(Cc2cccc(O)c2)CC1)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.66977006
51088,Oc1cc2c(cc1-c1cccs1)CCN1Cc3c(Br)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7464928
51089,C=CC1Cc2ccccc2N1Cc1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.70782435
51090,CC(=O)N1CCC(CNOc2ccc(OCCF)cc2C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.10182687
51091,CC(=O)NC1CCN(CCOc2ccc(OO)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5518833
51092,CC(C)c1ccccc1N1CCN(CCN2CCC(n3cccc3-c3ccc(F)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72974354
51093,CCCNCCOc1ccc(ON=S(C)(=O)O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12024508
51094,CCCOc1ccc(OCNc2ccc(F)cc2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.052073788
51095,CCCOc1ccc(OF)c(CN2CCN(c3cccc(NC=O)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.48383597
51096,CCCOc1ccc(OS(C)(=O)=O)c(-c2ccc(OC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06421304
51097,CCCOc1ccc(OS(C)(=O)=O)c(NCC2CCCN(c3ccccc3OC)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.18082006
51098,CCOc1ccccc1C(=O)C1CCN(CCOc2ccc(OSC)c(C)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5372031
51099,CCc1cc2c(cc1F)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7172185
51100,COCc1ccc(Cc2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6652592
51101,COc1cc2c(cc1O)C1Cc3cccc(Cc4ccc(N(C)S(C)(=O)=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.61216056
51102,COc1cc2c(cc1O)C1Cc3cccc(Oc4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7202409
51103,COc1ccc(OCCN2CCC(C(=O)Cc3ccccc3)CC2)cc1CS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5602958
51104,COc1ccc(OCCN2CCN(CCc3ccc(F)cc3)C2=O)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.2825301
51105,COc1ccc(OCCN=S(C)(=O)O)cc1COCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.06657733
51106,COc1ccc(OCCNS(C)(=O)=O)cc1C1CCC(CN2CCc3ccccc3C2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.5033124
51107,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(COc2ccc3c(c2)NC(=O)CCC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.33686718
51108,COc1ccc(OCCS(=N)(=O)O)cc1N1CCC(Oc2ccc3c(c2)NC(=O)CCC3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.44996107
51109,COc1ccc(OCCS(N)(=O)=O)cc1NCCC1CC(=O)c2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.19723825
51110,COc1ccc(OCCSC)cc1C(C)Cc1ccncc1,[*]CCOc1ccc(O[*])c([*])c1,0.06587353
51111,COc1ccc2ccc(-c3cccc4c3CN3CCc5cc(O)c(OC)cc5C3C4)cc2c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.709479
51112,COc1cccc2c1CN1CCc3cc(Cc4ccc(Cl)cc4)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6956801
51113,COc1ccccc1N1CCN(CCN2CCC(Oc3ccc(NC(C)=O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6290803
51114,CSOc1ccc(OCCN2CCC(Oc3ccc(CCF)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.5631396
51115,Cc1cc(OCCN2CCC(NC(=O)c3ccc(C(C)C)cc3)CC2)ccc1ON1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.32448873
51116,Cc1cc(OCCNC(=O)COc2ccc3c(c2)NC(=O)C3)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.04628319
51117,Cc1cc(OCCNCc2ccc(F)cc2)ccc1OS(=O)(=O)N(C)C,[*]CCOc1ccc(O[*])c([*])c1,0.16358097
51118,Cc1ccccc1N1CCN(CCN2CCC(Cc3cc4ccccc4o3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.60140544
51119,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)C=Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6265475
51120,Cc1ccccc1N1CCN(CCN2CCC(n3c(O)nc(-c4ccccc4)c3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6775799
51121,Clc1cccc(CN2CCN(CCCCc3coc(C=Cc4ccccc4)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7321918
51122,O=C(Nc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2)c1ccccc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.36447185
51123,O=C(Nc1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1)c1ccc(F)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.48472747
51124,Oc1ccc(C2CCN(CCN3CCN(c4ccccc4F)CC3)CC2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6997053
51125,Oc1cccc(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.82922524
51126,Oc1cccc2c1CN1CCc3cc(C(F)(F)F)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6633003
51127,C#Cc1cccc2c1CN1CCc3cc(OCc4ccccc4)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7663232
51128,CC(C)Oc1ccccc1N1CCN(CCN2CCC(n3cc(F)cnc3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.79004323
51129,CC=Cc1cc2c(cc1OC)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.80154496
51130,CCCOc1ccc(OC)c(NS(=O)(=O)Cc2ccc(C(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08916114
51131,CCCOc1ccc(OC)c(S(=O)(=O)NCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.111586474
51132,CCCOc1ccc(ON=S(C)(=O)O)c(N2CCCC3CC(Cc4ccc(SC)cc4)CCC32)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12605852
51133,COCCCN1CCN(Cc2cccc(NC(=O)c3cccs3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.27155554
51134,COCCOc1ccc(OC)c(NC(=O)COc2ccc(CCF)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.00782606
51135,COOc1ccc(OCCNc2ccccc2OC(C)C)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.046843316
51136,COc1c(C(=O)NC2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)ccc2ccccc12,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7828882
51137,COc1cc2c(cc1C)CCN1Cc3c(Cc4cccc(C)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6368445
51138,COc1cc2c(cc1CS(=O)(=O)c1ccccc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6260498
51139,COc1cc2c(cc1OC)C1Cc3cccc(C(O)OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71372396
51140,COc1cc2c(cc1S(C)(=O)=O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7426044
51141,COc1ccc(OCCC2CCN(Cc3ccccc3)CC2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6526456
51142,COc1ccc(OCCCN2CCC(Oc3ccc(C)cc3)CC2)cc1S(=O)(=O)F,[*]CCOc1ccc(O[*])c([*])c1,0.54947025
51143,COc1ccc(OCCCOCCc2ccccc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13681148
51144,COc1ccc(OCCN2CCC(c3ccc(OC4CCNCC4)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5814285
51145,COc1ccc(OCCN2CCCC(S(=O)(=O)c3cccc(F)c3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.6224052
51146,COc1ccc(OCCN=S(C)(=O)O)cc1CN1CCc2cc(OC)c(OC)cc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.38161945
51147,COc1ccc(OCCNS(C)(=O)=O)cc1CSCc1ccc(C(C)=O)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.02666109
51148,COc1ccc(OCCNS(C)(=O)=O)cc1N1CCC(Oc2ccc(CC3CCCC3)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.2545593
51149,COc1ccc(OCCS(C)(=O)=O)cc1CNC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.022436406
51150,COc1ccc(OCCSC)cc1NC1CCc2ccccc2[SH]1(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.30784902
51151,COc1ccc(OCCc2cccc(OCC(F)(F)F)c2)cc1C(=O)N1CCCC(CO)C1,[*]CCOc1ccc(O[*])c([*])c1,0.10045423
51152,COc1cccc2c1CN1CCc3cc(C(C)(C)C)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74286664
51153,Cc1cc(OCCN2CCC(Cc3ccccc3)CC2)ccc1OS,[*]CCOc1ccc(O[*])c([*])c1,0.58293736
51154,Cc1cc(OCCNCc2ccc(Cl)cc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16416863
51155,Cc1cc(OCCNCc2ccc(F)cc2)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16971591
51156,Cn1ccc2cc(-c3cccc(CN4CCN(CCCCl)CC4)c3)ccc21,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.633274
51157,Fc1cnn(C2CCN(CCN3CCN(c4ccccc4F)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.735174
51158,O=C(NC1CCN(CCN2CCN(c3ccccc3O)CC2)CC1)c1ccc(-c2ccccc2)cc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76117736
51159,O=C(Nc1cccc(CN2CCN(CCCCc3ccccc3)CC2)c1)C1CCCCC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.3734134
51160,O=[N+](OCc1ccccc1)c1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6096308
51161,O=c1ccc2c(Cc3cccc(CN4CCN(CCCCl)CC4)c3)cccc2o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53974867
51162,O=c1sc2ccccc2n1-c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6259363
51163,CC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccncc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75713056
51164,CCCOc1ccc(OC(=O)NS(C)(=O)=O)c(CCCc2ccc3c(c2)CCC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.09928294
51165,CCCOc1ccc(OCN2CCN(c3ccc(C(C)C)cc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.46325475
51166,CCCOc1ccc(OCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)c(F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5706591
51167,CCCOc1ccc(OCN2CCN(c3ccccc3OC)C2=O)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.29681507
51168,CCCOc1ccc(OF)c(CC(C)Oc2ccccc2N2CCNCC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.4278036
51169,CCCOc1ccc(OOC)c(CN2CCC(c3coc(C)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.57651013
51170,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(c3ccc(Cl)cc3)C2=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.27820072
51171,CCCOc1ccc(OS(C)(=O)=O)c(NCCc2ccc(OC3CCCC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12164454
51172,CCCOc1ccc(OS(N)(=O)=O)c(N2CCN(c3ccccc3OCCF)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33045614
51173,CCCc1cccc(-c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7259738
51174,CCOC(=O)Nc1cccc2c1CN1CCc3cc(O)c(OC)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.26610723
51175,CCOC1CCN(CCN2CCN(c3ccccc3-n3c(O)nc4ccc(O)cc43)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6771848
51176,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccc(O)nc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.67736495
51177,COCCCN1CCN(Cc2cccc(CN3CCCC3C=Cc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62142277
51178,COOc1ccc(OCCN2CCCN(c3ccccc3OC)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.7184264
51179,COOc1ccc(OCCOC(C)CCc2ccc3c(c2)OCC(=O)N3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.11695576
51180,COc1cc(OCCF)ccc1ON1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.42422038
51181,COc1cc2c(cc1-c1c(OC)cccc1OC)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7895463
51182,COc1cc2c(cc1NC(=O)c1ccc(C#N)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39093634
51183,COc1cc2c(cc1O)C1Cc3cccc(CNCc4ccncc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.64359516
51184,COc1cc2c(cc1OC)C1Cc3cccc(-c4cc(=O)ccc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59187233
51185,COc1cc2c(cc1OCc1ccc(CO)cc1)C1Cc3cccc(C(C)C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.69147766
51186,COc1ccc(NC(=O)c2cc3c(cc2OC)CCN2Cc4c(cccc4OC)CC32)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3806971
51187,COc1ccc(OCCCNS(=O)(=O)c2cccc(C(C)C)c2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08380714
51188,COc1ccc(OCCCS(=O)(=O)c2ccc(F)cc2)cc1N1CCN(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.30909622
51189,COc1ccc(OCCNS(C)(=O)=O)cc1CN1CCC(c2ccc(SC)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.53030175
51190,COc1cccc(C(F)c2ccccc2N2CCN(CCN3CCC(OC)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76254195
51191,COc1ccccc1N1CCN(CCN2CCC(C(=O)c3ccc(F)nn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8009705
51192,Cc1cc(OCCC(=O)COc2cccc(N)c2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.01719687
51193,Cc1cc(OCCN2CCC(C(=O)c3ccccc3F)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.5409339
51194,O=C(NCc1cccc(CN2CCN(CCCF)CC2)c1)c1cccs1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.49015597
51195,O=C(NSc1cccc(CN2CCN(CCCCl)CC2)c1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5732754
51196,O=S1(=O)Cc2ccccc2N1CCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69996786
51197,c1ccc(CCCN2CCN(Cc3cccc(-c4cccc5c4OCO5)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5857395
51198,CC1CCN(CCN2CCN(c3ccccc3Oc3cc(F)ccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7543859
51199,CCC(=O)[N+](=O)c1cc2c(cc1O)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.51848567
51200,CCCOc1ccc(OCN2C=CN(C(=O)OC)CC2)c(-c2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1561931
51201,CCCOc1ccc(OF)c(NC2CCN(C(=O)OCC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06450241
51202,CCCOc1ccc(ONCCc2ccccc2)c(N)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15093204
51203,CCCOc1ccc(OOS(C)(=O)=O)c(N2CCC(Cc3ccc4c(c3)NCC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38696986
51204,CCCOc1ccc(OS(C)(=O)=O)c(CN2CCC(c3ccc(CC)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.50095785
51205,CCCOc1ccc(Oc2ccc(C(=O)OCC)cn2)c(CN2CCN(C)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.172213
51206,CCCOc1ccc(Oc2ccccc2OCC(C)C)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.081612185
51207,CCOc1ccccc1N1CCN(CCN2CCC(Cc3cc4ccccc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7755862
51208,CNC(=O)CCOc1ccc(OC)c(N2CCC(COc3ccc4c(c3)NC(=O)CC4)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15258367
51209,COOc1ccc(OCCN2CCNC(CCc3ccc(F)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.48425627
51210,COc1cc2c(cc1O)CCN1Cc3c(CC4CCCCC4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6391304
51211,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccc4ncccc4c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6950139
51212,COc1ccc(OCCCCCc2ccc(F)cc2)cc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.108339176
51213,COc1ccc(OCCS(C)(=O)=O)cc1C=CCc1ccccc1OC1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.18802586
51214,COc1ccc(OCCS(C)(=O)=O)cc1NC1CCc2ccccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.35230908
51215,COc1cccc(C(=O)NCc2cccc(CN3CCN(CCCOC(F)(F)F)CC3)c2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.39932594
51216,COc1ccccc1N1CCN(CCN2CCC(CNC(=O)Cc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7484733
51217,COc1ccccc1N1CCN(CCN2CCC(Cc3ccc4ncc(O)nc4c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6523848
51218,COc1ccccc1N1CCN(CCN2CCC(c3ccc(C(=O)F)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7488359
51219,COc1ccccc1N1CCN(CCNC(=O)c2ccc(O[O-])c(C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.8492091
51220,Cc1cc(OCCF)ccc1ONS(=O)(=O)c1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.082556844
51221,Cc1cc(OCCN2CCC[SH](Cc3ccccc3)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.26029086
51222,Cc1cc2c(cc1Cc1ccc(CO)cc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6006189
51223,Cc1ccc(-c2cc(C(=O)NCCN3CCN(C)CC3)ccc2C)o1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.15655492
51224,Cc1ccc(N2CCN(COc3ccc(OCCF)cc3C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.3993953
51225,Cc1cccc2c1CN1CCc3cc(C(=O)c4cccc5[nH]ccc45)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.42083648
51226,O=C(NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)c1cccc(C#Cc2ccccc2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.892275
51227,O=C(NC1CCN(CCN2CCN(c3ccccc3Cl)CC2)CC1)c1ccccc1C#Cc1ccccc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.852616
51228,O=C(NCc1cccc(CN2CCN(CCCCl)CC2)c1)c1ccccc1C1CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53569394
51229,O=[N+]([O-])CCCN1CCN(Cc2cccc(-c3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5370005
51230,O=c1ccc(F)cn1C1CCN(CCN2CCN(c3ccccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72084415
51231,O=c1cccc(Cc2cccc(CN3CCN(CCCCl)CC3)c2)o1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6611694
51232,Oc1cccc(CN2CCN(CCCCc3ccc4ccccc4c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7836119
51233,Oc1nc(C2CCN(CCN3CCN(c4ccccc4C(F)(F)F)CC3)CC2)ccc1F,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7009477
51234,CC(C)Oc1ccccc1N1CCN(CCN2CCC(O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8329497
51235,CCCOc1ccc(OC(N)=O)c(N2CCC(c3ccccc3CC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17412089
51236,CCCOc1ccc(OCN)c(N2CCN(c3cccc(F)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38252357
51237,CCCOc1ccc(OOC)c(N2CCN(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.82353014
51238,CCCOc1ccc(OSC)c(CCNc2ccc(F)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.05040555
51239,CCOc1ccccc1N1CCN(CCN2CCC(c3ccc(OC)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8576307
51240,CCc1ccccc1S(=O)(=O)NCCOc1ccc(ONS(C)(=O)=O)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.0829927
51241,CN1C(=O)CCc2ccc(OC3CCN(CCN4CCN(c5ccccc5Cl)CC4)CC3)nc21,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76197237
51242,CNCCOc1ccc(OC)c(OC2CCc3ccc(OCC4CCCCC4)cc3C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37470785
51243,COC(=O)CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.46717995
51244,COC1CCN(CCN2CCN(c3ccccc3NC(=O)c3ccc(-c4cccc(O)c4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.46908733
51245,COCCCN1CCN(Cc2cccc(N3C(=O)Cc4ccccc4C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.64750516
51246,COOc1ccc(OCCCNCc2ccc(F)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.18402164
51247,COc1cc(C(=O)NCCN2CCN(C(C)(C)C)CC2)ccc1C=O,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.21728218
51248,COc1cc2c(cc1O)C1Cc3cccc(NC4CCCCC4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48396546
51249,COc1cc2c(cc1OC)C1Cc3cccc(C=Cc4ccc(OC(C)C)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7917545
51250,COc1ccc(OCCCS(N)(=O)=O)cc1NCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.07161552
51251,COc1ccc(OCCN2CCC(c3ccc(OC4CCC(=O)CC4)cc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.60504
51252,COc1ccc(OCCS(C)(=O)=O)cc1NCCC(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.02610192
51253,COc1cccc(CN2CCN(CCCc3cccc4c3CC(C)(C)C4)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6718378
51254,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc4ccccc4c3OC)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8608354
51255,COc1ccccc1N1CCN(CCN2CCC(c3cc(-c4ccccc4)no3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8909783
51256,Cc1cc(OCCC(O)COc2ccc3c(c2)NC(=O)CC3)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.13904102
51257,Cc1cc(OCCCCCc2ccccc2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.10859343
51258,Cc1cc(OCCN=S(C)(=O)O)ccc1OCN1CC=C(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.26542407
51259,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CC(C)CN(Cc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.27407253
51260,Cc1cc(OCCNC(=O)Cc2ccc(F)cc2)ccc1ON1CCN(S(C)(=O)=O)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.035593573
51261,Cc1cc(OCCNCCCc2ccc(F)cc2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.23294613
51262,Cc1cc(OCCOC(=O)c2ccc(F)cc2)ccc1ON1CCC(C)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.12804876
51263,Cc1cn(Cc2cccc(CN3CCN(CCCCl)CC3)c2)cc1-c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6276888
51264,ClC1CCN(CCN2CCN(c3ccccc3COc3ccc(-c4ccccc4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.71196747
51265,ClC1CCN(CCN2CCN(c3ccccc3Nc3nccc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.5035412
51266,ClCCCN1CCN(Cc2cccc(Cc3cccs3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.68207395
51267,O=C(Nc1ccccc1N1CCN(CCN2CCC(O)CC2)CC1)c1ccc2cccnc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.45837754
51268,O=C(O)c1ccn(CCCCN2CCN(Cc3cccc(Cl)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62715983
51269,O=S1(=O)Cc2ccccc2N1c1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6724218
51270,Oc1cccc(CN2CCN(CCCCc3cccs3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7095114
51271,CC(=O)NCCOc1ccc(ONCc2ccc(F)cc2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.02339305
51272,CC(=O)NCc1cccc(-c2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41769066
51273,CCCOc1ccc(OC)c(N2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36359918
51274,CCCOc1ccc(OC=O)c(N2CCC(Cc3ccccc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.32957298
51275,CCCOc1ccc(OF)c(CN2CCN(c3ccc(C(C)=O)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.40069562
51276,CCCOc1ccc(ON2CCC(c3ccccc3OCC)CC2)c(CNS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38960725
51277,CCCOc1ccc(ONS(C)(=O)=O)c(NCCn2cccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08741491
51278,CCCOc1ccc(OS(N)(=O)=O)c(NCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.08989961
51279,CCOC(=O)NCc1cccc2c1CN1CCc3cc(OC)c(O)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.48906946
51280,CCOc1cccc(COc2cccc3c2CN2CCc4cc(OC)c(O)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68330294
51281,CN(C)SOc1ccc(OCCF)cc1CC(=O)c1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.050100647
51282,COC(=O)C1CCN(CCN2CCN(c3ccccc3-c3ccc(O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.77104586
51283,COCCOc1ccc(OC)c(C(=O)COc2ccc(CF)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.06314445
51284,COCCOc1ccc(OC)c(N2CCCC=C3C=C(C(F)(F)F)C=CN3CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23968743
51285,COCCOc1ccc(OCCOc2ccccc2N2CCN(C)CC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.50640905
51286,COc1cc2c(cc1OCCF)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7884974
51287,COc1ccc(OCCCn2ccc(CCCF)c2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.103920355
51288,COc1ccc(OCCN2CCCC(c3ccccc3)C2)cc1N(C)S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.54870135
51289,COc1ccc(OCCNC(=O)Cc2ccc3ccccc3c2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.020417368
51290,COc1ccc(OCCS(C)(=O)=O)cc1N1CCCC(Oc2ccccc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.3070426
51291,COc1ccc(OCCS(C)(=O)=O)cc1NCC1CCC(O)c2cc(C(C)=O)ccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.19155471
51292,COc1ccc(OCCS(C)=O)cc1N1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.32077956
51293,COc1cccc(CN2CCN(CCCCNC(=O)c3cccc4cc(OC)ccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6018897
51294,COc1cccc(N(C(=O)c2ccccc2)C2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6455238
51295,COc1cccc2c(-c3cc4c(cc3O)C3Cc5cccc(O)c5CN3CC4)cccc12,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73563445
51296,COc1cccc2c1CN1CCc3cc(N)c(CO[O-])cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.537373
51297,CSOc1ccc(OCCN2CCC(Sc3ccc(F)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.6040634
51298,Cc1cc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.57598674
51299,Cc1cc(OCCN2CCC(c3ccc(OC(F)(F)F)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.6824111
51300,Cc1cc(OCCN2CCCC(C(F)c3ccc(F)cc3)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.44055173
51301,O=C(NCc1cccc(CN2CCN(CCCF)CC2)c1)c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5223415
51302,O=c1ccc2ccccc2c(=O)n1-c1cccc(CN2CCN(CCCC(F)(F)F)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5485605
51303,Oc1cc(-c2cccc(CN3CCN(CCCc4ccccc4)CC3)c2)c2ccccc2n1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.669221
51304,Oc1ccc(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8497717
51305,Oc1nc2ccccc2cc1-c1cccc(CN2CCN(CCCOc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.62384653
51306,Oc1nc2ccccc2n1CCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6055228
51307,CCCOc1ccc(OCCOc2ccc(F)cc2)c(CN(C=O)C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.12513772
51308,CCCOc1ccc(OCl)c(N2CCN(c3cccc(Cl)c3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.33539408
51309,CCCOc1ccc(ONC(=O)Cc2ccc(F)cc2)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5783589
51310,COC(=O)Nc1cc2c(cc1C)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.39782885
51311,COCCOc1ccc(OC)c(N2CCC(c3ccccc3CF)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.37749246
51312,COc1cc2c(cc1-c1ccc(OCc3ccccc3)cc1)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66643316
51313,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(Cc5cccc(C#N)c5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59553194
51314,COc1cc2c(cc1O)C1Cc3cccc(C(=O)c4ccc5[nH]ccc5c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5450194
51315,COc1cc2c(cc1O)C1Cc3cccc(OCc4ccc(C=O)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.66629875
51316,COc1cc2c(cc1O)CCN1Cc3c(cccc3OCc3ccc(N(C)C)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.696798
51317,COc1cc2c(cc1OC)C1Cc3cccc(OCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7828749
51318,COc1ccc(OCCC(=O)N2CCC(c3ccc(F)cc3)CC2)cc1SC,[*]CCOc1ccc(O[*])c([*])c1,0.14201848
51319,COc1ccc(OCCC(N)=O)cc1NCCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.03150194
51320,COc1ccc(OCCCNC(=O)Cc2ccc3ccccc3c2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.020263197
51321,COc1ccc(OCCN2CC=C(c3ccccc3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.45437694
51322,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)NC(=O)CC4)CC2)cc1S(=O)(=O)C(F)(F)F,[*]CCOc1ccc(O[*])c([*])c1,0.5609979
51323,COc1ccc(OCCN=S(C)(=O)O)cc1CCOc1ccc(C)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.06360963
51324,COc1ccc(OCCOC(=O)CCc2ccccc2)cc1CN1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.17016378
51325,COc1cccc(CN2CCN(CCCCC(=O)Nc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.32045275
51326,COc1ccccc1N1CCN(CCN2CCC(C(=NO)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.91356343
51327,COc1ccccc1N1CCN(CCN2CCC(N=C3COc4ccccc4N3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8705524
51328,Cc1cc(OCCCN2CCC(Oc3ccccc3)CC2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.6280621
51329,Cc1cc(OCCF)ccc1ONC(=O)Cc1ccc2c(c1)CN(C)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.1600083
51330,Cc1cc(OCCN2CCC(NC(=O)c3ccc(F)cc3)C2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.52624595
51331,Cc1cc(OCCN2CCCC(Cc3cccc(NS(C)(=O)=O)c3)C2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.33320743
51332,Cc1cc(OCCN2CCN(Cc3ccc(CS(C)(=O)=O)cc3)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.40853226
51333,Cc1cc(OCCNC(=O)Cc2ccc3c(c2)NC(=O)CC3)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.046013024
51334,Cc1cc(OCCNCc2ccc(F)cc2)ccc1OCS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.17179523
51335,Cc1cc(OCCc2ccc(F)cc2)ccc1OS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.08525442
51336,Cc1cc2c(cc1O)CCN1Cc3c(C=NOCc4ccccc4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6161253
51337,Cc1ccc(=O)n(CCCCN2CCN(Cc3cccc(F)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5834843
51338,Cc1cccc(N2CCN(CCNC(=O)c3ccc(C)c(O)c3)CC2)c1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.6501552
51339,FCCCN1CCN(Cc2cccc(CNc3ccccc3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.4845731
51340,O=C(NCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2)C1CC1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4571393
51341,Oc1cc2c(cc1C=NCCc1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.63120997
51342,c1ccc(COCCCN2CCN(Cc3cccc(-c4ccc5ccccc5c4)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.7136112
51343,CC(C)Oc1ccccc1N1CCN(CCN2CCC(C(=O)Nc3cccc(Cl)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7185028
51344,CCCOc1cc2c(cc1O)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7502915
51345,CCCOc1ccc(OC)c(CNC(=O)c2ccc3ccccc3c2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.031743832
51346,CCCOc1ccc(OCN2CCN(c3cccc(Cl)c3Cl)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.77186483
51347,CCCOc1ccc(OS(N)(=O)=O)c(N2CCCC(Cc3ccc(OC4CCCCC4)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15991485
51348,CCOC1CCN(CCN2CCN(c3ccccc3Cc3cc4ccccn4n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7258999
51349,CCOc1ccc(C(=O)NCCN2CCN(OC)CC2)cc1-c1cccc(Cl)c1Cl,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.25433582
51350,CCOc1ccccc1N1CCN(CCN2CCC(c3nc(O)ccc3F)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.81220007
51351,COC(=O)N1CCN(CCNC(=O)c2ccc(-c3ccccc3OC)c(OC)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.20461014
51352,COC1CCN(CCN2CCN(c3ccccc3C(=O)c3ccc(Cl)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7451896
51353,CON1CCN(CCNC(=O)c2ccc(C)c(-c3ccccc3N(C)C)c2)CC1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.32740885
51354,COc1cc2c(cc1CNc1cccc3ncccc13)CCN1Cc3c(cccc3OC)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.4312836
51355,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)NCc3ccc(C)c(Cl)c3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.34860283
51356,COc1cc2c(cc1OCc1ccc(C#N)cc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6896349
51357,COc1ccc(C(=O)NCCN2CCN([N+](=O)[O-])CC2)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.17806368
51358,COc1ccc(COc2cccc3c2CN2CCc4cc(OC)c(C)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.65984976
51359,COc1ccc(OCCNS(C)(=O)=O)cc1CS(=O)(=O)N1CCC(C(F)(F)F)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.23765379
51360,COc1ccc2c(-c3ccccc3N3CCN(CCN4CCC(OC)CC4)CC3)ccnc2c1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7060448
51361,COc1cccc(Cc2cc3c(cc2O)C2Cc4cccc(OCc5ccccc5)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60219383
51362,COc1ccccc1N1CCN(CCN2CCC(c3ccc(O)c4ncccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.80564237
51363,Cc1cc(OCCC(=O)COc2ccc3c(c2)NCCC3)ccc1OOS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.14501266
51364,Cc1cc(OCCN)ccc1ON1CCC(c2ccccc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.4021619
51365,Cc1cc(OCCN2CCC(Oc3ccc4c(c3)NC(=O)CCC4)CC2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.64740163
51366,Cc1cc(OCCN2CCCC(Oc3ccc(F)cc3)C2)ccc1ON,[*]CCOc1ccc(O[*])c([*])c1,0.51805884
51367,Cc1cc2c(cc1O)CCN1Cc3c(C=O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6221272
51368,Cc1ccccc1N1CCN(CCN2CCC(CC(=O)Nc3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.4823048
51369,Fc1ccn(-c2ccccc2N2CCN(CCN3CCC(Cl)CC3)CC2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.766232
51370,O=C1c2cc(CCCN3CCN(Cc4cccc(Cl)c4)CC3)ccc2CN1c1ccccc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5691045
51371,O=C1c2ccccc2CCC1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.75866
51372,O=S(=O)(Nc1cccc(CN2CCN(CCCCl)CC2)c1)c1ccc2ccccc2c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5008
51373,Oc1cccc(-c2ccccc2N2CCN(CCN3CCC(F)CC3)CC2)n1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7668052
51374,Oc1ccccc1C=Cc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6429194
51375,C=CN1CCc2cc(S(=O)(=O)NOc3ccc(OCCF)cc3C)ccc2C1,[*]CCOc1ccc(O[*])c([*])c1,0.19130509
51376,CC1CCN(CCN2CCN(c3ccccc3-n3ccc(C=O)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6966586
51377,CCCOc1ccc(OC)c(C(=O)Nc2ccccc2NC=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.017951095
51378,CCCOc1ccc(OCN2CCC(Cc3ccccc3)CC2)c(OS(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.38919115
51379,CCCOc1ccc(ONS(C)(=O)=O)c(CCCc2ccc(C(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.07593093
51380,CCCOc1ccc(OOC)c(CNC(=O)c2cc(N3CCNC3)ccc2OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16025604
51381,CCCOc1ccc(OS(C)(=O)=O)c(-c2ccc(C3CCCCN3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.17677791
51382,CCCOc1ccc(OS(N)(=O)=O)c(NC(=O)Cc2ccc(OC)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.009272312
51383,CCCOc1ccc(OSC)c(N2CCCC(c3ccccc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.39188048
51384,CCCOc1ccc(OSC)c(NCCCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1486284
51385,CNc1cccc(OC)c1C(=O)NCc1cc(OCCF)ccc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.01833872
51386,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ccccc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.76882076
51387,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(-c4ncco4)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7679483
51388,COC1CCN(CCN2CCN(c3ccccc3Cc3cc4cc(C#N)ccc4cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72663397
51389,COCCOc1ccc(OC)c(N2CCC(Nc3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3296824
51390,COc1ccc(-c2cccc3c2CN2CCc4cc(OC)c(OC)cc4C2C3)cc1OC,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70052606
51391,COc1ccc(N=Cc2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75017786
51392,COc1ccc(OCCC(C)=O)cc1N1CCN(c2ccc(C)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.1559687
51393,COc1ccc(OCCCC(=O)c2ccc(F)cc2)cc1NS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.052502178
51394,COc1ccc(OCCCNCc2ccccc2)cc1CS(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.16682842
51395,COc1ccc(OCCN2CCN(c3cccc(C(C)C)c3)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.7000095
51396,COc1ccc(OCCN=S(C)(=O)O)cc1CCCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.070276946
51397,COc1ccc(OCCNCC=Cc2ccc(F)cc2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.12605701
51398,COc1cccc(CN2CCN(CCCc3cccc4ccccc4c3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5312882
51399,COc1cccc2cc(-c3cccc(CN4CCN(CCCCl)CC4)c3)oc12,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5904471
51400,COc1ccccc1N1CCN(CCN2CCC(Cc3ccc4cc3C(=O)NC4)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7414036
51401,CSOc1ccc(OCCNCCSc2ccccc2F)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.24479428
51402,Cc1cc(OCCCS(=O)(=O)c2ccc(C(C)C)cc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.05369311
51403,Cc1cc(OCCN2CCC(c3ccccc3F)CC2)ccc1ONS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.62624294
51404,Cc1ccc(CNCCOc2ccc(ON=S(C)(=O)O)c(C)c2)o1,[*]CCOc1ccc(O[*])c([*])c1,0.09839215
51405,Fc1ccc(SCCCN2CCN(Cc3cccc(OC(F)(F)F)c3)CC2)cc1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53392506
51406,Fc1cccc(CN2CCN(CCCCc3cc(-c4ccccc4)co3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.63673055
51407,OCc1cc(Cc2cccc3c2CN2CCc4cc(O)c(O)cc4C2C3)cc2ccccc12,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6720946
51408,Oc1cc2c(cc1N1CCCCC1O)CCN1Cc3c(Cl)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5326697
51409,Oc1cccc2c1CN1CCc3cc(C=[N+]c4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6691807
51410,CC(=O)C1CCN(CCOc2ccc(ONS(C)(=O)=O)c(C)c2)Cc2ccccc21,[*]CCOc1ccc(O[*])c([*])c1,0.4617249
51411,CCCCOc1ccc(OOC)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.8166368
51412,CCCOc1ccc(OCNC(=O)c2ccccn2)c(CN2CCN(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.578206
51413,CCCOc1ccc(ONS(C)(=O)=O)c(CCCc2ccc3c(c2)CCCC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.21535459
51414,CCCOc1ccc(OS(=O)(=O)c2ccc(SC)cc2)c(NCc2ccccc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.038039874
51415,CCOCc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.70925796
51416,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(OCCF)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8362581
51417,COCCCN1CCN(Cc2cccc(-c3ccc4sc(=O)oc4c3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.56363845
51418,COCCCN1CCN(Cc2cccc(CC(=O)N3Cc4ccccc4C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5944299
51419,COCCOc1ccc(OC)c(N2CCCC=C(F)C=CC3=CN(CC2)C3=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23315988
51420,COc1cc2c(cc1-c1ccc(CO)cc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.72801816
51421,COc1cc2c(cc1-c1cccc(COC(C)=O)c1)C1Cc3cccc(C)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.3719947
51422,COc1ccc(-c2cccc3c2CN2CCc4cc(Cl)c(OC)cc4C2C3)cc1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.59571016
51423,COc1ccc(OCCC2CCCN(Cc3ccccc3)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4127743
51424,COc1ccc(OCCCCC(=O)c2cccs2)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.64556277
51425,COc1ccc(OCCCN=S(C)(=O)O)cc1CCCc1ccc2c(c1)NC(=O)CC2,[*]CCOc1ccc(O[*])c([*])c1,0.26161906
51426,COc1ccc(OCCN2CCC(c3ccccc3CCF)CC2)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.69762176
51427,COc1ccc(OCCN=S(C)(=O)O)cc1C1CCCC(Cc2ccc(OC3CCNC(=O)C3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.11857785
51428,COc1ccc(OCCNC(=O)c2ccc(S(C)(=O)=O)cc2F)cc1NC(C)=O,[*]CCOc1ccc(O[*])c([*])c1,0.022411626
51429,COc1ccc(OCCNS(C)(=O)=O)cc1CN1C(=O)c2ccccc2C1=O,[*]CCOc1ccc(O[*])c([*])c1,0.08920433
51430,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(C2CCc3ccccc3CC2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.39322764
51431,COc1ccc(OCCS(C)(=O)=O)cc1NCc1ccc(F)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.065858476
51432,COc1cccc(Oc2cc3c(cc2C)CCN2Cc4c(cccc4OC)CC32)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71358824
51433,COc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccccc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.9165444
51434,CSOc1ccc(OCCNC(=O)COc2ccc(C=O)cc2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.024332322
51435,Cc1cc(OCCN2CCC(CCc3ccc(F)cc3)CC2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.6190155
51436,Cc1cc(OCCN=S(C)(=O)O)ccc1Oc1ccc(C2CCN(C)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.24152684
51437,Cc1cc(OCCNCc2ccc(F)cc2)ccc1OO,[*]CCOc1ccc(O[*])c([*])c1,0.1351052
51438,Cc1ccc(CN2CCN(Oc3ccc(OCCF)cc3C)CC2)c(S(C)(=O)=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.34153
51439,Cc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccco3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6013706
51440,ClCCCN1CCN(Cc2cccc(-c3cc(C=Cc4ccccc4)ns3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6648137
51441,OCC=Cc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6759055
51442,OCc1cc2c(cc1O)C1Cc3cccc(F)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.77967715
51443,ON=Cc1cccc(-c2cc3c(cc2Cl)C2Cc4cccc(O)c4CN2CC3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60017246
51444,CC1=CCc2ccccc2N1C(=O)c1cccc(CN2CCN(CCCCl)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.55191463
51445,CCCCN1CCN(Cc2cccc(N3CCc4ccccc4C3=O)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.69060516
51446,CCCNc1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6307466
51447,CCCOc1ccc(OCN2CCN(Cc3ccccc3)CC2)c(OC)c1,[*]CCOc1ccc(O[*])c([*])c1,0.5790403
51448,CCCOc1ccc(ON2CCC(c3ccccc3OC)CC2)c(C=O)c1,[*]CCOc1ccc(O[*])c([*])c1,0.36163196
51449,CCCOc1ccc(ON2CCN(C)CC2)c(NC(=O)c2ccc(N(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.1140531
51450,CCCOc1ccc(ONS(C)(=O)=O)c(CCCc2ccc3c(c2)CC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.24422371
51451,CCCOc1ccc(OS(N)(=O)=O)c(NCCc2ccc3c(c2)NC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.16232105
51452,COC(=O)C1Cc2ccccc2C(=O)N1CCCN1CCN(Cc2cccc(Cl)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.57843643
51453,COC1CCN(CCN2CCN(c3ccccc3-c3csc(-c4ccccc4)c3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7887156
51454,COC1CCN(CCN2CCN(c3ccccc3C3CCc4ccccc4NC3=O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8291259
51455,COCCOc1ccc(OC)c(-c2ccc(C(=O)c3ccccc3)nc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.060651917
51456,COCCOc1ccc(OC)c(CN2CCC(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.62681884
51457,COOc1ccc(OCCCCCc2ccco2)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.69220346
51458,COc1cc2c(cc1O)C1Cc3cccc(-c4ccc(CCO)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75809246
51459,COc1cc2c(cc1OC)C1Cc3cccc(-c4ccc(COC5CCCCC5)cc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.60063523
51460,COc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(C(=O)NCc4ccccc4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.41877764
51461,COc1ccc(CNc2cc(OCCS(C)(=O)=O)ccc2OC)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.05371335
51462,COc1ccc(OCCC(N)=O)cc1N1CCN(CCc2cc3ccccc3o2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7155938
51463,COc1ccc(OCCCS(=O)(=O)c2cccc(C(C)C)c2)cc1C1CCCN(C)C1,[*]CCOc1ccc(O[*])c([*])c1,0.36077374
51464,COc1ccc(OCCN2CCC(NC(=O)c3cccc(C(F)(F)F)c3)CC2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.4723395
51465,COc1ccc(OCCN2CCCC(c3ccccc3)C2)cc1Br,[*]CCOc1ccc(O[*])c([*])c1,0.6400144
51466,COc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1CN1CCN(c2ccccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.7097777
51467,COc1ccc(OCCS(C)(=O)=O)cc1N1CCC(Cc2ccc3c(c2)CCC(=O)N3)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3689956
51468,COc1cccc(CN2CCN(CCCCNS(=O)(=O)c3cccc4ccccc34)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5839917
51469,COc1cccc(CN2CCN(CCCS3=c4ccccc4=CC3=O)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.5076606
51470,COc1ccccc1S(=O)(=O)NCCOc1ccc(ON2CCNCC2)c(C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.23095222
51471,CSOc1ccc(OCCN2CC(=O)CC(Cc3ccc(F)cc3)C2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.2513094
51472,CSOc1ccc(OCCN2CCC(Oc3ccc(C)cc3)CC2)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.46382374
51473,Cc1cc(OCCF)ccc1ONCc1ccccc1,[*]CCOc1ccc(O[*])c([*])c1,0.10687699
51474,Cc1cc(OCCN=S(C)(=O)O)ccc1ON1CCCC(Cc2ccc(C3CCC(=O)NC3)cc2)C1,[*]CCOc1ccc(O[*])c([*])c1,0.14644484
51475,Cc1cc(OCCNC(=O)Sc2ccc(F)cc2)ccc1ON1CCCCC1,[*]CCOc1ccc(O[*])c([*])c1,0.063512355
51476,O=C1c2ccccc2CCCN1CCCCN1CCN(Cc2cccc(F)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.71818584
51477,CC(=O)NOc1ccc(OCCNCCc2cccc3c2CCC3)cc1C,[*]CCOc1ccc(O[*])c([*])c1,0.09005203
51478,CC(=O)Nc1cccc2c1CN1CCc3cc(-c4ccccc4)c(Cl)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.28959018
51479,CCCOc1ccc(OS(C)(=O)=O)c(N2CCCC(Cc3ccc(OC4CCCCS4)cc3)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2104409
51480,CCCOc1ccc(OS(C)(=O)=O)c(NCCN2CCC(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.63536775
51481,CCCOc1ccc(OS(C)(=O)=O)c(NCCc2cccc3c2OC(=O)CC3)c1,[*]CCOc1ccc(O[*])c([*])c1,0.15449777
51482,CCCOc1ccc(OS(C)(=O)=O)c(NCc2ccc(C(C)=O)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.023906965
51483,CCOc1ccccc1C1CCN(CCOc2ccc(OC)c(N=S(C)(=O)O)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.61485314
51484,CCOc1ccccc1N1CCN(CCN2CCC(NC(=O)c3ccc(O)cc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7899576
51485,CCc1ccc(OC2CCN(Cc3cc(OCCS(C)(=O)=O)ccc3OC)CC2)cc1,[*]CCOc1ccc(O[*])c([*])c1,0.3461842
51486,CNCCOc1ccc(OC)c(N2CCCN(c3ccc(F)cc3)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.2539147
51487,COc1cc(C(=O)NCCN2CCN(OC)CC2)ccc1-c1ccc(Br)cc1,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.23492666
51488,COc1cc(C2CCN(CCN3CCN(c4ccccc4C)CC3)CC2)c(OC)cn1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.6843308
51489,COc1cc2c(cc1-c1cccnc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6292074
51490,COc1cc2c(cc1C(OC)c1ccccc1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73751515
51491,COc1cc2c(cc1O)CCN1Cc3c(Cc4cccc([N+](C)=O)c4)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6262618
51492,COc1cc2c(cc1O)CCN1Cc3c(cccc3C(=O)NOCc3ccc(C)cc3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.40503207
51493,COc1cc2c(cc1OC)C1Cc3cccc(C(O)c4cccc(C#N)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6436465
51494,COc1ccc(C(=O)NCCN2CCN(c3cccc(Cl)c3OC)CC2)cc1C,[*]c1ccc(C(=O)NCCN2CCN([*])CC2)cc1[*],0.76709354
51495,COc1ccc(OCCCNC(=O)c2ccc3c(c2)CCCC3)cc1OC,[*]CCOc1ccc(O[*])c([*])c1,0.1315785
51496,COc1ccc(OCCN2CCC(Oc3ccc(CC4CCCCC4)cc3)CC2)cc1Cl,[*]CCOc1ccc(O[*])c([*])c1,0.5567201
51497,COc1ccc(OCCN=S(C)(=O)O)cc1C1CC(Cc2ccc3c(c2)NC(=O)CCC3)CCO1,[*]CCOc1ccc(O[*])c([*])c1,0.26806763
51498,COc1ccc(OCCOS(C)(=N)=O)cc1N1CCC(Cc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3184884
51499,COc1ccc(OCCS(N)(=O)=O)cc1N1CCC(COc2ccc(F)cc2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.3023408
51500,COc1ccccc1CN1CCN(CCOc2ccc(OC)c(SC)c2)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.6528774
51501,COc1ccccc1CN1CCN(c2cc(OCCC(N)=O)ccc2OC)CC1,[*]CCOc1ccc(O[*])c([*])c1,0.58662194
51502,COc1ccccc1N1CCN(CCN2CCC(N(c3ccccc3)c3ncccn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8519632
51503,COc1ccccc1N1CCN(CCN2CCC(c3cc4c(F)cccc4nc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8025072
51504,COc1ccccc1N1CCN(CCN2CCC(c3ccc(-c4ccc(F)cc4)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8259638
51505,Cc1cc(OCCNC(=O)CCc2ccccc2)ccc1OS(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.034270026
51506,Cc1cc(OCCNCCc2cc3ccccc3o2)ccc1ON=S(C)(=O)O,[*]CCOc1ccc(O[*])c([*])c1,0.13014056
51507,Cc1cccc2c1CN1CCc3cc(O)c(OCc4ccc5ccccc5c4)cc3C1C2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.5200175
51508,Oc1cccc(CCCN2CCN(Cc3cccc(Cl)c3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.73056996
51509,C#Cc1cc2c(cc1OCc1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.75182277
51510,CC=Nc1cc2c(cc1Cl)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.73980445
51511,CCCCN1CCN(Cc2cccc(OC)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.59643984
51512,CCCOc1ccc(ON)c(CNC(=O)c2ccc(N(C)C)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.032401863
51513,CCCOc1ccc(ON2CCC(O)=C[SH]2Cc2ccccc2)c(C(F)(F)F)c1,[*]CCOc1ccc(O[*])c([*])c1,0.343141
51514,CCCOc1ccc(ONS(C)(=O)=O)c(-c2ccc(C3CCNC3)cc2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.19450192
51515,CCCOc1ccc(OOC)c(N2CCCN(c3ccccc3OC)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3576782
51516,CCCOc1ccc(OOC)c(N2CCN(c3ccccc3OC)C(=O)C2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26023754
51517,CCCOc1ccc(OS(C)(=O)=O)c(N2CCC(Cc3ccc(F)cc3)CC2C)c1,[*]CCOc1ccc(O[*])c([*])c1,0.26356605
51518,CCCc1cccc(-c2cccc3c2CN2CCc4cc(O)c(OC)cc4C2C3)c1,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7286942
51519,CCOCc1cc2c(cc1OC)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.74157244
51520,CCOc1cc2c(cc1-c1ccccc1)C1Cc3cccc(O)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.68180937
51521,CCOc1ccccc1N1CCN(CCN2CCC(n3cc(C)cc3O)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.72844493
51522,COC1CCN(CCN2CCN(c3ccccc3-c3ccc(N)cn3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7565607
51523,COC1CCN(CCN2CCN(c3ccccc3-c3cccc(N)n3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8037152
51524,COC1CCN(CCN2CCN(c3ccccc3Br)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7595638
51525,COCCCN1CCN(Cc2cccc(-c3ccc4c(c3)C(NC(C)=O)CC4)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.53484076
51526,COCCCN1CCN(Cc2cccc(NCc3ccco3)c2)CC1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.22875501
51527,COCCOc1ccc(OC)c(N2CCC(c3ccccc3OC)CC2)c1,[*]CCOc1ccc(O[*])c([*])c1,0.3689474
51528,COCc1cc2c(cc1O)C1Cc3cccc(Cl)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.71543264
51529,COc1cc2c(cc1COc1ccc(CO)cc1)C1Cc3cccc(OC)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.55874234
51530,COc1cc2c(cc1Cc1cc3ccccc3[nH]1)CCN1Cc3c(O)cccc3CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.7220479
51531,COc1cc2c(cc1O)C1Cc3cccc(COc4cccc5ccccc45)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.737862
51532,COc1cc2c(cc1O)CCN1Cc3c(cccc3-c3ccn[nH]3)CC21,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.6095098
51533,COc1cc2ccccc2nc1-c1ccccc1N1CCN(CCN2CCC(Cl)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.75253135
51534,COc1ccc(OCCCCCc2ccc(F)cc2)cc1S(N)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.120094374
51535,COc1ccc(OCCN2CCC(Cc3ccc4c(c3)CCC(=O)NC4)C2)cc1S(C)(=O)=O,[*]CCOc1ccc(O[*])c([*])c1,0.48263043
51536,COc1ccccc1N1CCN(CCN2CCC(Cc3nc(O)cc4ccccc34)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7421324
51537,COc1ccccc1N1CCN(CCN2CCC(Nc3ccncc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.8252819
51538,Cc1ccccc1N1CCN(CCN2CCC(CNC(=O)c3ccccc3)CC2)CC1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.66187054
51539,O=C1c2ccccc2CSN1Cc1cccc(CN2CCN(CCCF)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.6774194
51540,O=S(=O)(O)c1cccc(CN2CCN(CCCc3ccccc3)CC2)c1,[*]CCCN1CCN(Cc2cccc([*])c2)CC1,0.58244467
51541,Oc1cc2c(cc1O)C1Cc3cccc(-c4cccc(NC5CCCCC5)c4)c3CN1CC2,[*]c1cc2c(cc1[*])C1Cc3cccc([*])c3CN1CC2,0.29119003
51542,Oc1ccc(C2CCN(CCN3CCN(c4ccccc4Cl)CC3)CC2)nc1,[*]c1ccccc1N1CCN(CCN2CCC([*])CC2)CC1,0.7102213