1477 SMILES Strings for Wee1-like protein kinase

Compound Name
SMILES String
Clc1cccc(Cl)c1-n1ccc2nc(Nc3ccc(cc3)N3CCNCC3)ncc2c1=O |(5.33,2.69,;6.67,1.93,;8,2.69,;9.34,1.93,;9.34,.38,;8,-.38,;8,-1.92,;6.67,.38,;5.33,-.38,;5.33,-1.93,;4,-2.69,;2.67,-1.93,;1.33,-2.69,;,-1.93,;-1.33,-2.69,;-2.67,-1.93,;-4,-2.69,;-5.33,-1.93,;-5.33,-.38,;-4,.38,;-2.67,-.38,;-6.67,.38,;-8,-.38,;-9.34,.38,;-9.34,1.93,;-8,2.69,;-6.67,1.93,;,-.38,;1.33,.38,;2.67,-.38,;4,.38,;4,1.93,)|
Cc1cn(-c2c(Cl)cccc2Cl)c(=O)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc12 |(4,-3.46,;4,-1.93,;5.33,-1.16,;5.33,.38,;6.67,1.15,;6.67,2.69,;5.33,3.46,;8,3.46,;9.34,2.69,;9.34,1.15,;8,.39,;8,-1.15,;4,1.15,;4,2.69,;2.67,.38,;1.33,1.15,;,.38,;,-1.16,;-1.33,-1.93,;-2.67,-1.16,;-4,-1.93,;-5.33,-1.16,;-5.33,.38,;-4,1.15,;-2.67,.38,;-6.67,1.15,;-8,.38,;-9.34,1.15,;-9.34,2.69,;-8,3.46,;-6.67,2.69,;1.33,-1.93,;2.67,-1.16,)|
Clc1ncccc1-n1ccc2nc(Nc3ccc(cc3)N3CCNCC3)ncc2c1=O
CCN(CC)CCOc1ccc(Nc2ncc3c(ccn(-c4c(Cl)cccc4Cl)c3=O)n2)cc1 |(-10.67,-2.7,;-9.34,-1.93,;-9.34,-.39,;-10.67,.39,;-10.67,1.93,;-8,.39,;-6.67,-.39,;-5.33,.39,;-4,-.39,;-4,-1.93,;-2.67,-2.7,;-1.33,-1.93,;,-2.7,;1.33,-1.93,;1.33,-.39,;2.67,.39,;4,-.39,;4,-1.93,;5.33,-2.7,;6.67,-1.93,;6.67,-.39,;8,.39,;9.34,-.39,;9.34,-1.93,;10.67,.39,;10.67,1.93,;9.34,2.7,;8,1.93,;6.67,2.7,;5.33,.39,;5.33,1.93,;2.67,-2.7,;-1.33,-.39,;-2.67,.39,)|
CC(=O)N1CCN(CC1)c1ccc(Nc2ncc3c(ccn(-c4c(Cl)cccc4Cl)c3=O)n2)cc1 |(-10.67,1.16,;-9.34,1.93,;-9.34,3.47,;-8,1.16,;-8,-.39,;-6.67,-1.16,;-5.33,-.39,;-5.33,1.16,;-6.67,1.93,;-4,-1.16,;-4,-2.7,;-2.67,-3.47,;-1.33,-2.7,;,-3.47,;1.33,-2.7,;1.33,-1.16,;2.67,-.39,;4,-1.16,;4,-2.7,;5.33,-3.47,;6.67,-2.7,;6.67,-1.16,;8,-.39,;9.34,-1.16,;9.34,-2.7,;10.67,-.39,;10.67,1.16,;9.34,1.93,;8,1.16,;6.67,1.93,;5.33,-.39,;5.33,1.16,;2.67,-3.47,;-1.33,-1.16,;-2.67,-.39,)|
Clc1cccc(Cl)c1-n1ccc2nc(Nc3ccc(cc3)N3CCS(=O)(=O)CC3)ncc2c1=O |(8.67,-1.92,;8.67,-.38,;10,.38,;10,1.93,;8.67,2.69,;7.34,1.93,;6,2.69,;7.34,.38,;6,-.38,;6,-1.93,;4.67,-2.69,;3.33,-1.93,;2,-2.69,;.67,-1.93,;-.67,-2.69,;-2,-1.93,;-3.33,-2.69,;-4.67,-1.93,;-4.67,-.38,;-3.33,.38,;-2,-.38,;-6,.38,;-7.34,-.38,;-8.67,.38,;-8.67,1.93,;-10,2.69,;-10,1.15,;-7.34,2.69,;-6,1.93,;.67,-.38,;2,.38,;3.33,-.38,;4.67,.38,;4.67,1.93,)|
Cc1cc(Nc2ncc3c(ccn(-c4c(Cl)cccc4Cl)c3=O)n2)ccc1N1CCNCC1 |(-4,1.93,;-4,.38,;-2.67,-.38,;-2.67,-1.93,;-1.33,-2.69,;,-1.93,;,-.38,;1.33,.38,;2.67,-.38,;2.67,-1.93,;4,-2.69,;5.33,-1.93,;5.33,-.38,;6.67,.38,;6.67,1.93,;5.33,2.69,;8,2.69,;9.34,1.93,;9.34,.38,;8,-.38,;8,-1.92,;4,.38,;4,1.93,;1.33,-2.69,;-4,-2.69,;-5.33,-1.93,;-5.33,-.38,;-6.67,.38,;-8,-.38,;-9.34,.38,;-9.34,1.93,;-8,2.69,;-6.67,1.93,)|
CN1CCN(CC1)c1ccc(Nc2ncc3c(ccn(-c4c(Cl)cccc4Cl)c3=O)n2)cc1CO |(-10,2.7,;-8.67,1.92,;-8.67,.38,;-7.34,-.39,;-6,.38,;-6,1.92,;-7.34,2.69,;-4.67,-.39,;-4.67,-1.93,;-3.33,-2.7,;-2,-1.93,;-.67,-2.7,;.67,-1.93,;.67,-.39,;2,.38,;3.33,-.39,;3.33,-1.93,;4.67,-2.7,;6,-1.93,;6,-.39,;7.34,.38,;7.34,1.92,;6,2.69,;8.67,2.69,;10,1.92,;10,.38,;8.67,-.38,;8.67,-1.92,;4.67,.38,;4.67,1.92,;2,-2.7,;-2,-.39,;-3.33,.38,;-3.33,1.92,;-4.67,2.69,)|
Clc1cccc(Cl)c1-n1cc(Br)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc2c1=O |(5.33,3.46,;6.67,2.69,;8,3.46,;9.34,2.69,;9.34,1.15,;8,.39,;8,-1.15,;6.67,1.15,;5.33,.38,;5.33,-1.16,;4,-1.93,;4,-3.46,;2.67,-1.16,;1.33,-1.93,;,-1.16,;-1.33,-1.93,;-2.67,-1.16,;-4,-1.93,;-5.33,-1.16,;-5.33,.38,;-4,1.15,;-2.67,.38,;-6.67,1.15,;-8,.38,;-9.34,1.15,;-9.34,2.69,;-8,3.46,;-6.67,2.69,;,.38,;1.33,1.15,;2.67,.38,;4,1.15,;4,2.69,)|
CN1CCC(CC1)c1ccc(Nc2ncc3c(ccn(-c4c(Cl)cccc4Cl)c3=O)n2)cc1 |(-10,2.7,;-8.67,1.92,;-8.67,.38,;-7.34,-.39,;-6,.38,;-6,1.92,;-7.34,2.69,;-4.67,-.39,;-4.67,-1.93,;-3.33,-2.7,;-2,-1.93,;-.67,-2.7,;.67,-1.93,;.67,-.39,;2,.38,;3.33,-.39,;3.33,-1.93,;4.67,-2.7,;6,-1.93,;6,-.39,;7.34,.38,;7.34,1.92,;6,2.69,;8.67,2.69,;10,1.92,;10,.38,;8.67,-.38,;8.67,-1.92,;4.67,.38,;4.67,1.92,;2,-2.7,;-2,-.39,;-3.33,.38,)|
CN(C)CCc1ccc(Nc2ncc3c(ccn(-c4c(Cl)cccc4Cl)c3=O)n2)cc1 |(-8.67,1.93,;-8.67,.38,;-10,-.38,;-7.34,-.38,;-6,.38,;-4.67,-.38,;-3.33,.38,;-2,-.38,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;.67,-.38,;2,.38,;3.33,-.38,;3.33,-1.93,;4.67,-2.69,;6,-1.93,;6,-.38,;7.34,.38,;7.34,1.93,;6,2.69,;8.67,2.69,;10,1.93,;10,.38,;8.67,-.38,;8.67,-1.92,;4.67,.38,;4.67,1.93,;2,-2.69,;-3.33,-2.69,;-4.67,-1.93,)|
COc1cc(Nc2ncc3c(ccn(-c4c(Cl)cccc4Cl)c3=O)n2)ccc1N1CCN(C)CC1 |(-2,2.7,;-3.33,1.93,;-3.33,.38,;-2,-.38,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;.67,-.38,;2,.38,;3.33,-.38,;3.33,-1.93,;4.67,-2.69,;6,-1.93,;6,-.38,;7.34,.38,;7.34,1.93,;6,2.69,;8.67,2.69,;10,1.93,;10,.38,;8.67,-.38,;8.67,-1.93,;4.67,.38,;4.67,1.93,;2,-2.69,;-3.33,-2.69,;-4.67,-1.93,;-4.67,-.38,;-6,.38,;-7.34,-.38,;-8.67,.38,;-8.67,1.93,;-10,2.69,;-7.34,2.69,;-6,1.93,)|
COc1cc(Nc2ncc3c(ccn(-c4c(Cl)cccc4Cl)c3=O)n2)ccc1N1CCNCC1 |(-2.67,2.7,;-4,1.93,;-4,.38,;-2.67,-.38,;-2.67,-1.93,;-1.33,-2.69,;,-1.93,;,-.38,;1.33,.38,;2.67,-.38,;2.67,-1.93,;4,-2.69,;5.33,-1.93,;5.33,-.38,;6.67,.38,;6.67,1.93,;5.33,2.69,;8,2.69,;9.34,1.93,;9.34,.38,;8,-.38,;8,-1.93,;4,.38,;4,1.93,;1.33,-2.69,;-4,-2.69,;-5.33,-1.93,;-5.33,-.38,;-6.67,.38,;-8,-.38,;-9.34,.38,;-9.34,1.93,;-8,2.69,;-6.67,1.93,)|
Cc1cc(Nc2ncc3c(n2)c(cn(-c2c(Cl)cccc2Cl)c3=O)C#CCO)ccc1N1CCNCC1 |(-4,4.62,;-4,3.08,;-2.67,2.31,;-2.67,.77,;-1.33,,;,.77,;,2.31,;1.33,3.08,;2.67,2.31,;2.67,.77,;1.33,,;4,,;5.33,.77,;5.33,2.31,;6.67,3.08,;6.67,4.62,;5.33,5.39,;8,5.39,;9.34,4.62,;9.34,3.08,;8,2.31,;8,.77,;4,3.08,;4,4.62,;4,-1.54,;4,-3.08,;4,-4.62,;2.67,-5.39,;-4,,;-5.33,.77,;-5.33,2.31,;-6.67,3.08,;-8,2.31,;-9.34,3.08,;-9.34,4.62,;-8,5.39,;-6.67,4.62,)|
CN1CCN(CC1)c1ccc(Nc2ncc3c(ccn(-c4c(Cl)cccc4Cl)c3=O)n2)cc1 |(-10,2.69,;-8.67,1.93,;-8.67,.38,;-7.34,-.38,;-6,.38,;-6,1.93,;-7.34,2.69,;-4.67,-.38,;-4.67,-1.93,;-3.33,-2.69,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;.67,-.38,;2,.38,;3.33,-.38,;3.33,-1.93,;4.67,-2.69,;6,-1.93,;6,-.38,;7.34,.38,;7.34,1.93,;6,2.69,;8.67,2.69,;10,1.93,;10,.38,;8.67,-.38,;8.67,-1.93,;4.67,.38,;4.67,1.93,;2,-2.69,;-2,-.38,;-3.33,.38,)|
CNCCOc1ccc(Nc2ncc3c(ccn(-c4c(Cl)cccc4Cl)c3=O)n2)cc1 |(-10.67,.38,;-9.34,-.38,;-8,.38,;-6.67,-.38,;-5.33,.38,;-4,-.38,;-4,-1.92,;-2.67,-2.69,;-1.33,-1.92,;,-2.69,;1.33,-1.92,;1.33,-.38,;2.67,.38,;4,-.38,;4,-1.92,;5.33,-2.69,;6.67,-1.92,;6.67,-.38,;8,.38,;8,1.92,;6.67,2.69,;9.34,2.69,;10.67,1.92,;10.67,.38,;9.34,-.38,;9.34,-1.92,;5.33,.38,;5.33,1.92,;2.67,-2.69,;-1.33,-.38,;-2.67,.38,)|
CC(C)N1CCN(CC1)c1ccc(Nc2ncc3c(ccn(-c4c(Cl)cccc4Cl)c3=O)n2)cc1 |(-10.67,1.16,;-9.34,1.93,;-9.34,3.46,;-8,1.16,;-8,-.39,;-6.67,-1.16,;-5.33,-.39,;-5.33,1.16,;-6.67,1.93,;-4,-1.16,;-4,-2.69,;-2.67,-3.46,;-1.33,-2.69,;,-3.46,;1.33,-2.69,;1.33,-1.16,;2.67,-.39,;4,-1.16,;4,-2.69,;5.33,-3.46,;6.67,-2.69,;6.67,-1.16,;8,-.39,;8,1.16,;6.67,1.93,;9.34,1.93,;10.67,1.16,;10.67,-.39,;9.34,-1.16,;9.34,-2.69,;5.33,-.39,;5.33,1.16,;2.67,-3.46,;-1.33,-1.16,;-2.67,-.39,)|
OCc1cc(Nc2ncc3c(ccn(-c4c(Cl)cccc4Cl)c3=O)n2)ccc1N1CCNCC1 |(-5.33,2.7,;-4,1.92,;-4,.38,;-2.67,-.39,;-2.67,-1.93,;-1.33,-2.7,;,-1.93,;,-.39,;1.33,.38,;2.67,-.39,;2.67,-1.93,;4,-2.7,;5.33,-1.93,;5.33,-.39,;6.67,.38,;6.67,1.92,;5.33,2.69,;8,2.69,;9.34,1.92,;9.34,.38,;8,-.39,;8,-1.93,;4,.38,;4,1.92,;1.33,-2.7,;-4,-2.7,;-5.33,-1.93,;-5.33,-.39,;-6.67,.38,;-8,-.39,;-9.34,.38,;-9.34,1.92,;-8,2.69,;-6.67,1.92,)|
Clc1cccc(Cl)c1-n1ccc2nc(Nc3ccc(cc3)N3CCOCC3)ncc2c1=O |(5.33,2.69,;6.67,1.93,;8,2.69,;9.34,1.93,;9.34,.38,;8,-.38,;8,-1.93,;6.67,.38,;5.33,-.38,;5.33,-1.93,;4,-2.69,;2.67,-1.93,;1.33,-2.69,;,-1.93,;-1.33,-2.69,;-2.67,-1.93,;-4,-2.69,;-5.33,-1.93,;-5.33,-.38,;-4,.38,;-2.67,-.38,;-6.67,.38,;-8,-.38,;-9.34,.38,;-9.34,1.93,;-8,2.69,;-6.67,1.93,;,-.38,;1.33,.38,;2.67,-.38,;4,.38,;4,1.93,)|
CNCc1cc(Nc2ncc3c(ccn(-c4c(Cl)cccc4Cl)c3=O)n2)ccc1N1CCOCC1 |(-8,-3.85,;-6.67,-3.08,;-6.67,-1.54,;-5.33,-.77,;-4,-1.54,;-2.67,-.77,;-1.33,-1.54,;,-.77,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;4,-1.54,;5.33,-.77,;5.33,.77,;6.67,1.54,;6.67,3.08,;5.33,3.85,;8,3.85,;9.34,3.08,;9.34,1.54,;8,.77,;8,-.77,;4,1.54,;4,3.08,;1.33,-1.54,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-8,.77,;-9.34,1.54,;-9.34,3.08,;-8,3.85,;-6.67,3.08,)|
OCCN1CCN(CC1)c1ccc(Nc2ncc3c(ccn(-c4c(Cl)cccc4Cl)c3=O)n2)cc1 |(-11.34,2.7,;-10,1.92,;-8.67,2.7,;-7.34,1.92,;-7.34,.39,;-6,-.39,;-4.67,.39,;-4.67,1.92,;-6,2.7,;-3.33,-.39,;-3.33,-1.92,;-2,-2.7,;-.67,-1.92,;.67,-2.7,;2,-1.92,;2,-.39,;3.33,.39,;4.67,-.39,;4.67,-1.92,;6,-2.7,;7.34,-1.92,;7.34,-.39,;8.67,.39,;8.67,1.92,;7.34,2.7,;10,2.7,;11.34,1.92,;11.34,.39,;10,-.39,;10,-1.92,;6,.39,;6,1.92,;3.33,-2.7,;-.67,-.39,;-2,.39,)|
NCC#Cc1cn(-c2c(Cl)cccc2Cl)c(=O)c2cnc(Nc3ccc(cc3)N3CCOCC3)nc12 |(2.67,-5.39,;4,-4.62,;4,-3.08,;4,-1.54,;4,,;5.33,.77,;5.33,2.31,;6.67,3.08,;6.67,4.62,;5.33,5.39,;8,5.39,;9.34,4.62,;9.34,3.08,;8,2.31,;8,.77,;4,3.08,;4,4.62,;2.67,2.31,;1.33,3.08,;,2.31,;,.77,;-1.33,,;-2.67,.77,;-4,,;-5.33,.77,;-5.33,2.31,;-4,3.08,;-2.67,2.31,;-6.67,3.08,;-8,2.31,;-9.34,3.08,;-9.34,4.62,;-8,5.39,;-6.67,4.62,;1.33,,;2.67,.77,)|
Clc1cccc(Cl)c1-n1cc(-c2cccnc2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc2c1=O |(5.33,5,;6.67,4.23,;8,5,;9.34,4.23,;9.34,2.69,;8,1.93,;8,.38,;6.67,2.69,;5.33,1.93,;5.33,.38,;4,-.38,;4,-1.93,;2.67,-2.69,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;2.67,.38,;1.33,-.38,;,.38,;-1.33,-.38,;-2.67,.38,;-4,-.38,;-5.33,.38,;-5.33,1.93,;-4,2.69,;-2.67,1.93,;-6.67,2.69,;-8,1.93,;-9.34,2.69,;-9.34,4.23,;-8,5,;-6.67,4.23,;,1.93,;1.33,2.69,;2.67,1.93,;4,2.69,;4,4.23,)|
Cc1cc(Nc2ncc3c(ccn(-c4ccccc4Cl)c3=O)n2)ccc1N1CCNCC1
NCc1cccc(Nc2ncc3c(ccn(-c4c(Cl)cccc4Cl)c3=O)n2)c1 |(-8.67,-1.92,;-7.34,-2.69,;-6,-1.93,;-6,-.38,;-4.67,.38,;-3.33,-.38,;-3.33,-1.93,;-2,-2.69,;-.67,-1.93,;-.67,-.38,;.67,.38,;2,-.38,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;6,1.93,;4.67,2.69,;7.34,2.69,;8.67,1.93,;8.67,.38,;7.34,-.38,;7.34,-1.93,;3.33,.38,;3.33,1.93,;.67,-2.69,;-4.67,-2.69,)|
CN1CCN(CC1)c1cccc(Nc2ncc3c(ccn(-c4c(Cl)cccc4Cl)c3=O)n2)c1 |(-10,-3.85,;-8.67,-3.08,;-8.67,-1.54,;-7.34,-.77,;-6,-1.54,;-6,-3.08,;-7.34,-3.85,;-4.67,-.77,;-4.67,.77,;-3.33,1.54,;-2,.77,;-2,-.77,;-.67,-1.54,;.67,-.77,;.67,.77,;2,1.54,;3.33,.77,;3.33,-.77,;4.67,-1.54,;6,-.77,;6,.77,;7.34,1.54,;7.34,3.08,;6,3.85,;8.67,3.85,;10,3.08,;10,1.54,;8.67,.77,;8.67,-.77,;4.67,1.54,;4.67,3.08,;2,-1.54,;-3.33,-1.54,)|
Clc1cccc(Cl)c1-n1ccc2nc(Nc3ccc(N4CCNCC4)c(Cl)c3)ncc2c1=O |(5.33,2.69,;6.67,1.92,;8,2.7,;9.34,1.92,;9.34,.38,;8,-.39,;8,-1.93,;6.67,.38,;5.33,-.39,;5.33,-1.93,;4,-2.7,;2.67,-1.93,;1.33,-2.7,;,-1.93,;-1.33,-2.7,;-2.67,-1.93,;-4,-2.7,;-5.33,-1.93,;-5.33,-.39,;-6.67,.38,;-8,-.39,;-9.34,.38,;-9.34,1.92,;-8,2.69,;-6.67,1.92,;-4,.38,;-4,1.92,;-2.67,-.39,;,-.39,;1.33,.39,;2.67,-.39,;4,.38,;4,1.92,)|
CC(=O)Nc1cn(-c2c(Cl)cccc2Cl)c(=O)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc12 |(2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;4,-2.31,;4,-.77,;5.33,,;5.33,1.54,;6.67,2.31,;6.67,3.85,;5.33,4.62,;8,4.62,;9.34,3.85,;9.34,2.31,;8,1.54,;8,,;4,2.31,;4,3.85,;2.67,1.54,;1.33,2.31,;,1.54,;;-1.33,-.77,;-2.67,,;-4,-.77,;-5.33,,;-5.33,1.54,;-4,2.31,;-2.67,1.54,;-6.67,2.31,;-8,1.54,;-9.34,2.31,;-9.34,3.85,;-8,4.62,;-6.67,3.85,;1.33,-.77,;2.67,,)|
Fc1cc(Nc2ncc3c(ccn(-c4c(Cl)cccc4Cl)c3=O)n2)ccc1N1CCNCC1 |(-4,1.92,;-4,.38,;-2.67,-.39,;-2.67,-1.93,;-1.33,-2.7,;,-1.93,;,-.39,;1.33,.39,;2.67,-.39,;2.67,-1.93,;4,-2.7,;5.33,-1.93,;5.33,-.39,;6.67,.38,;6.67,1.92,;5.33,2.69,;8,2.7,;9.34,1.92,;9.34,.38,;8,-.39,;8,-1.93,;4,.38,;4,1.92,;1.33,-2.7,;-4,-2.7,;-5.33,-1.93,;-5.33,-.39,;-6.67,.38,;-8,-.39,;-9.34,.38,;-9.34,1.92,;-8,2.69,;-6.67,1.92,)|
Fc1cc(Nc2ncc3c(ccn(-c4c(Cl)cccc4Cl)c3=O)n2)cc(F)c1N1CCNCC1 |(-4,1.92,;-4,.38,;-2.67,-.39,;-2.67,-1.93,;-1.33,-2.7,;,-1.93,;,-.39,;1.33,.39,;2.67,-.39,;2.67,-1.93,;4,-2.7,;5.33,-1.93,;5.33,-.39,;6.67,.38,;6.67,1.92,;5.33,2.69,;8,2.7,;9.34,1.92,;9.34,.38,;8,-.39,;8,-1.93,;4,.38,;4,1.92,;1.33,-2.7,;-4,-2.7,;-5.33,-1.93,;-6.67,-2.69,;-5.33,-.39,;-6.67,.38,;-8,-.39,;-9.34,.38,;-9.34,1.92,;-8,2.69,;-6.67,1.92,)|
CN1CCN(CC1)c1ccc(Nc2ncc3c(ccn(-c4c(Cl)cccc4Cl)c3=O)n2)cn1 |(-10,2.7,;-8.67,1.92,;-8.67,.38,;-7.34,-.39,;-6,.38,;-6,1.92,;-7.34,2.69,;-4.67,-.39,;-4.67,-1.93,;-3.33,-2.7,;-2,-1.93,;-.67,-2.7,;.67,-1.93,;.67,-.39,;2,.39,;3.33,-.39,;3.33,-1.93,;4.67,-2.7,;6,-1.93,;6,-.39,;7.34,.38,;7.34,1.92,;6,2.69,;8.67,2.7,;10,1.92,;10,.38,;8.67,-.39,;8.67,-1.93,;4.67,.38,;4.67,1.92,;2,-2.7,;-2,-.39,;-3.33,.38,)|
CN1CCN(CC1)C(=O)c1ccc(Nc2ncc3c(ccn(-c4c(Cl)cccc4Cl)c3=O)n2)cc1 |(-10.67,-2.7,;-9.34,-1.93,;-9.34,-.39,;-8,.39,;-6.67,-.39,;-6.67,-1.93,;-8,-2.7,;-5.33,.39,;-5.33,1.93,;-4,-.39,;-4,-1.93,;-2.67,-2.7,;-1.33,-1.93,;,-2.7,;1.33,-1.93,;1.33,-.39,;2.67,.39,;4,-.39,;4,-1.93,;5.33,-2.7,;6.67,-1.93,;6.67,-.39,;8,.39,;8,1.93,;6.67,2.7,;9.34,2.7,;10.67,1.93,;10.67,.39,;9.34,-.39,;9.34,-1.93,;5.33,.39,;5.33,1.93,;2.67,-2.7,;-1.33,-.39,;-2.67,.39,)|
OC(=O)CN1CCN(CC1)c1ccc(Nc2ncc3c(ccn(-c4c(Cl)cccc4Cl)c3=O)n2)cc1 |(-11.34,2.7,;-10,1.92,;-10,.39,;-8.67,2.7,;-7.34,1.92,;-7.34,.39,;-6,-.39,;-4.67,.39,;-4.67,1.92,;-6,2.7,;-3.33,-.39,;-3.33,-1.92,;-2,-2.7,;-.67,-1.92,;.67,-2.7,;2,-1.92,;2,-.39,;3.33,.39,;4.67,-.39,;4.67,-1.92,;6,-2.7,;7.34,-1.92,;7.34,-.39,;8.67,.39,;8.67,1.92,;7.34,2.7,;10,2.7,;11.34,1.92,;11.34,.39,;10,-.39,;10,-1.92,;6,.39,;6,1.92,;3.33,-2.7,;-.67,-.39,;-2,.39,)|
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl
CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
C=CS(=O)(=O)c1ccc(Oc2ccc(cc2)S(=O)(=O)C=C)cc1
OC\C=C(\CS(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
Cc1ccc2nc(NCc3ccccc3)[nH]c2c1
Cc1cc(Nc2ccc(C)cc2)n(n1)-c1nc(C)cc(=O)[nH]1
CCOC(=O)N1CCN(CC1)C(=O)c1cc(nc2ccccc12)-c1ccc(OCC)cc1
Cc1ccnc(NC(=O)CCCOc2cc(=O)n(C)c3ccccc23)c1
COc1cccc(c1)C1=Nc2nnnn2C(C1)c1cccc(OC)c1OC |t:9|
CCCCS(=O)(=O)\C=C/C=C\S(=O)(=O)CCCC
On1onc2c1ccc1nc(cc21)-c1ccccc1
CCOc1cccc(c1)N(C(C(=O)NC1CCCCC1)c1cccn1C)C(=O)Cc1cccs1
COc1ccc(NC(=O)C(Cl)=C(Cl)S(=O)Cc2ccc(C)cc2)cn1 |w:11.11|
COc1ccc(NC(=O)C(Cl)=C(Cl)S(=O)Cc2ccccc2)cn1 |w:11.11|
Cc1cccn2n(C(=O)c3ccco3)c(=S)nc12
COC(=O)C1CCN(CC1)C(=O)\C=C\c1ccc(OC)cc1
COc1cc(cc(OC)c1OC)C1=NOC(C1)C(=O)NCc1cccs1 |t:13|
CCOC(=O)C1=C(O\C(S1)=C(\C#N)C(F)(F)F)c1ccccc1 |t:5|
Brc1ccc2=NC(=O)C(NNC(=O)c3ccccc3-n3cccc3)=c2c1 |c:25,t:4|
COc1ccc(C=NNC(=O)c2ccc3ccccc3c2)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 |w:7.7|
Cc1cc(Cl)ccc1NC(=S)Nc1ccccn1
COc1cccc(C=NNC(=O)c2cc3c(OC)c(OC)ccc3[nH]2)c1OC |w:8.8|
CCN(CC)c1ccc(C=NNC(=O)c2ccco2)cc1 |w:10.10|
CCCC1=Nc2cc(ccc2Sc2ccccc12)C(=O)NCc1ccco1 |t:3|
Oc1cc(O)c2c(c1)oc(cc2=O)C1(O)C=CC(=O)C=C1 |c:17,21|
Fc1ccc(CNC(=O)COc2ccc(cc2)C(=O)c2ccc(F)cc2)cc1
Clc1ccc(NC(=O)Nc2nccs2)cc1Cl
Cc1nc2ccccn2c1-c1csc(Nc2cccc(O)c2)n1
Clc1ccc(NC(=O)\C=C\c2ccccc2)nc1
O=C(Cc1nc2ccccc2[nH]c1=O)c1cccs1
CCN(CC)c1ccc(C=NNC(=O)c2cnccn2)cc1 |w:10.10|
COc1ccccc1-c1ccc(SCc2ccccc2F)nn1
CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)NCCc1ccccn1
CC(=O)Nc1ccc(CN=Nc2nc3ccccc3s2)cc1 |w:10.10|
Cc1ccc(C=NNC(=O)c2ccc3OCCOc3c2)s1 |w:6.6|
Cn1cccc1C=C1SC(Nc2ccccc2)=NC1=O |w:6.6,c:18|
O=C(C=Cc1cccnc1)C=Cc1cccnc1
COc1ccc(Nc2oc(nc2C#N)-c2ccc(OC)cc2)cc1
[O-][N+](=O)c1ccc(Sc2cccc[n+]2[O-])c2nonc12
Cc1csc2sc(c(C)c12)-c1ccnc(SCC(=O)NCc2ccccc2)n1
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)S(C)(=O)=NC#N)n(CC=C)c3=O)cc1
CCOC(=O)N=S(C)(=O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)S(C)(=N)=O)n(CC=C)c3=O)cc1
CN=S(C)(=O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(N=S(C)(C)=O)n2)n(CC=C)c3=O)cc1
CS(C)(=O)=Nc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc12
CC(C)N1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(N=S(C)(C)=O)n2)n(CC=C)c3=O)cc1
CS(C)(=O)=Nc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(CC3)C3CC3)nc12
C[C@@H]1CN(CCN1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(N=S(C)(C)=O)n2)n(CC=C)c3=O)cc1 |r|
CCN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(N=S(C)(C)=O)n2)n(CC=C)c3=O)cc1
CCCn1n(-c2cccc(N=S(C)(C)=O)n2)c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2c1=O
CS(C)(=O)=Nc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCOCC3)nc12
CS(C)(=O)=Nc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)C3CCNCC3)nc12
CS(C)(=O)=Nc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(N4CCNCC4)c(Cl)c3)nc12
CN1Cc2cc(Nc3ncc4c(n3)n(-c3cccc(N=S(C)(C)=O)n3)n(CC=C)c4=O)ccc2C2(CC2)C1
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(c2)N=S(C)(C)=O)n(CC=C)c3=O)cc1
C[C@H]1CN(C[C@@H](C)N1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(N=S(C)(C)=O)n2)n(CC=C)c3=O)cc1 |r|
CS(C)(=O)=Nc1cccc(c1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc12
CS(C)(=O)=Nc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccccc3)nc12
CC(C)n1n(-c2cccc(N=S(C)(C)=O)n2)c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2c1=O
Cc1cc(Nc2ncc3c(n2)n(-c2cccc(N=S(C)(C)=O)n2)n(CC=C)c3=O)ccc1N1CCOCC1
CCNCc1cc(Nc2ncc3c(n2)n(-c2cccc(c2)N=S(C)(C)=O)n(CC=C)c3=O)ccc1N1CCOCC1
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(N=S4(=O)CCCC4)n2)n(CC=C)c3=O)cc1
COc1cc(Nc2ncc3c(n2)n(-c2cccc(N=S(C)(C)=O)n2)n(CC=C)c3=O)ccc1N1CCN(C)CC1
COc1cc(Nc2ncc3c(n2)n(-c2cccc(N=S(C)(C)=O)n2)n(CC=C)c3=O)ccc1N1CCOCC1
Cc1cc(Nc2ncc3c(n2)n(-c2cccc(N=S(C)(C)=O)n2)n(CC=C)c3=O)ccc1N1CCNCC1
CNCCOc1ccc(Nc2ncc3c(n2)n(-c2cccc(c2)N=S(C)(C)=O)n(CC=C)c3=O)cc1
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(N=S(C)(C)=O)n2)n(CC=C)c3=O)cc1C
CS(C)(=O)=Nc1cccc(c1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(N4CCNCC4)c(CO)c3)nc12
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(c2)N=S(C)(C)=O)n(CC=C)c3=O)cc1CO
CS(C)(=O)=Nc1cccc(c1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCOCC3)nc12
C[C@H]1CN(C[C@@H](C)O1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(N=S(C)(C)=O)n2)n(CC=C)c3=O)cc1 |r|
CS(C)(=O)=Nc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(nc3)N3CCOCC3)nc12
CS(C)(=O)=Nc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCC(F)(F)CC3)nc12
CS(C)(=O)=Nc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3cccc(c3)N3CCOCC3)nc12
CS(C)(=O)=Nc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CC4CCC(C3)O4)nc12
Cn1cc(Nc2ncc3c(n2)n(-c2cccc(N=S(C)(C)=O)n2)n(CC=C)c3=O)cn1
CCCn1n(-c2cccc(N=S(C)(C)=O)n2)c2nc(Nc3ccc(cc3)N3CCOCC3)ncc2c1=O
CCCn1n(-c2cccc(N=S(C)(C)=O)n2)c2nc(Nc3ccc(nc3)N3CCOCC3)ncc2c1=O
CS(C)(=O)=Nc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(F)cc3)nc12
CC(C)n1n(-c2cccc(N=S(C)(C)=O)n2)c2nc(Nc3ccc(F)cc3)ncc2c1=O
COc1ccc(Nc2ncc3c(n2)n(-c2cccc(N=S(C)(C)=O)n2)n(C(C)C)c3=O)cc1
CC(C)n1n(-c2cccc(N=S(C)(C)=O)n2)c2nc(Nc3ccc(cc3)N3CCOCC3)ncc2c1=O
CS(C)(=O)=Nc1cncc(c1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCOCC3)nc12
CC(C)n1n(-c2cccc(N=S(C)(C)=O)n2)c2nc(Nc3ccc(cc3)N3CCNC(C3)C(F)(F)F)ncc2c1=O |w:30.34|
CC(C)n1n(-c2cccc(N=S(C)(C)=O)n2)c2nc(Nc3ccc(cc3)N3CCCNCC3)ncc2c1=O
CC(C)n1n(-c2cccc(N=S(C)(C)=O)n2)c2nc(NC3CCC3)ncc2c1=O
CC(C)n1n(-c2cccc(N=S(C)(C)=O)n2)c2nc(Nc3ccc(cc3)N3CCNC(=O)C3)ncc2c1=O
CC(C)n1n(-c2cccc(N=S(C)(C)=O)n2)c2nc(Nc3ccc(cc3)N3CCN(CC(F)(F)F)CC3)ncc2c1=O
CS(C)(=O)=Nc1cncc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCOCC3)nc12
CS(C)(=O)=Nc1ccnc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCOCC3)nc12
COC[C@@H]1CN(CCO1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(N=S(C)(C)=O)n2)n(C(C)C)c3=O)cc1 |r|
COC[C@@H]1CN(CCO1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(N=S(C)(C)=O)n2)n(CC=C)c3=O)cc1 |r|
CC(C)n1n(-c2cccc(N=S3(=O)CCCC3)n2)c2nc(Nc3ccc(F)cc3)ncc2c1=O
CC(C)n1n(-c2cccc(N=S3(=O)CCCC3)n2)c2nc(Nc3cnn(C)c3)ncc2c1=O
CN(C)c1ccc(Nc2ncc3c(n2)n(-c2cccc(N=S(C)(C)=O)n2)n(CC=C)c3=O)cc1
CC(C)n1n(-c2cccc(N=S(C)(C)=O)n2)c2nc(Nc3ccc(cc3)N(C)C)ncc2c1=O
CC(C)n1n(-c2cccc(N=S3(=O)CCCC3)n2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc2c1=O
CC(C)n1n(-c2cccc(N=S(C)(C)=O)n2)c2nc(ncc2c1=O)N(c1ccc(cc1)C#N)c1ccc(cc1)C#N
CC(C)n1n(-c2cccc(N=S(C)(C)=O)n2)c2nc(Nc3ccc(Cl)cc3)ncc2c1=O
CS(C)(=O)=Nc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(Cl)cc3)nc12
CS(C)(=O)=Nc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(NC34CC(C3)C4)nc12
CC(C)(C)c1ccc(Nc2ncc3c(n2)n(-c2cccc(N=S(C)(C)=O)n2)n(CC=C)c3=O)cc1
CC(C)n1n(-c2cccc(N=S(C)(C)=O)n2)c2nc(Nc3ccc(F)cc3F)ncc2c1=O
CS(C)(=O)=Nc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(F)c(F)c3)nc12
CS(C)(=O)=Nc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3C[C@@H]4COC[C@@H]4C3)nc12 |r|
CS(C)(=O)=Nc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3C[C@@H]4C[C@H]3CO4)nc12 |r|
CS(C)(=O)=Nc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCNC(C3)C(F)(F)F)nc12 |w:33.37|
CS(C)(=O)=Nc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(F)nc3)nc12
CC(C)n1n(-c2cccc(N=S(C)(C)=O)n2)c2nc(Nc3ccc(cc3)C#N)ncc2c1=O
CC(C)n1n(-c2cccc(N=S(C)(C)=O)n2)c2nc(Nc3ccc(cc3)C(F)(F)F)ncc2c1=O
CC(C)n1n(-c2cccc(N=S(C)(C)=O)n2)c2nc(Nc3cccc(c3)C(F)(F)F)ncc2c1=O
COC[C@@H]1CN(CCO1)c1ccc(Nc2ncc3c(n2)n(-c2cncc(N=S(C)(C)=O)n2)n(CC=C)c3=O)cc1 |r|
CS(C)(=O)=Nc1cncc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(F)cc3)nc12
COC[C@@H]1CN(CCN1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(N=S(C)(C)=O)n2)n(CC=C)c3=O)cc1 |r|
CS(C)(=O)=Nc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3cccnc3)nc12
Cn1cc(Nc2ncc3c(n2)n(-c2cccc(N=S4(=O)CCCC4)n2)n(CC=C)c3=O)cn1
Cn1cc(Nc2ncc3c(n2)n(-c2cccc(N=[S@@](C)(=O)c4ccccc4)n2)n(CC=C)c3=O)cn1 |r|
CC(C)n1cc(Nc2ncc3c(n2)n(-c2cccc(N=S(C)(C)=O)n2)n(CC=C)c3=O)cn1
CS(C)(=O)=Nc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(nc3)C(F)(F)F)nc12
COc1cc(Nc2ncc3c(n2)n(-c2cccc(N=S(C)(C)=O)n2)n(CC=C)c3=O)ccc1F
CN(C)c1ccc(Nc2ncc3c(n2)n(-c2cccc(N=S(C)(C)=O)n2)n(CC=C)c3=O)cc1C(O)C(F)(F)F |w:34.38|
CS(C)(=O)=Nc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3cc(F)cc(F)c3)nc12
CS(C)(=O)=Nc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3cnn(CC(F)(F)F)c3)nc12
COc1cc(Nc2ncc3c(n2)n(-c2cccc(N=S(C)(C)=O)n2)n(CC=C)c3=O)ccc1N1CCNC(C1)C(F)(F)F |w:37.43|
COc1cc(Nc2ncc3c(n2)n(-c2cccc(N=S(C)(C)=O)n2)n(CC=C)c3=O)ccc1N1CCN(C)C(C1)C(F)(F)F |w:38.44|
Cc1cc(Nc2ncc3c(n2)n(-c2cccc(N=S(C)(C)=O)n2)n(CC=C)c3=O)ccc1C1CCN(CC1)C1CCC1
COCCN(C)c1ccc(Nc2ncc3c(n2)n(-c2cccc(N=S(C)(C)=O)n2)n(CC=C)c3=O)cc1
CS(C)(=O)=Nc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCC3)nc12
CS(C)(=O)=NCc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCOCC3)nc12
CS(C)(=O)=Nc1cccc(n1)-n1n(CC2CC2)c(=O)c2cnc(Nc3ccc(cc3)N3CCOCC3)nc12
CS(C)(=O)=Nc1cncc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCNC(C3)C(F)(F)F)nc12 |w:33.37|
CC(C)n1cc(Nc2ncc3c(n2)n(-c2cccc(N=S(C)(C)=O)n2)n(CC#C)c3=O)cn1
CS(C)(=O)=Nc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3cnn(CC=C)c3)nc12
CS(C)(=O)=Nc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3cnn(c3)C3CCCCC3)nc12
CS(C)(=O)=Nc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCNC(C3)C(F)F)nc12 |w:33.37|
CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)N(COc3n2)c2c(Cl)cccc2Cl)cc1
Clc1cccc(Cl)c1N1COc2nc(Nc3ccc(cc3)N3CCOCC3)ncc2C1=O
CC1(C)CN(Cc2cc(Nc3ncc4C(=O)N(COc4n3)c3c(Cl)cccc3Cl)ccc12)C(=O)CO
CN1Cc2cc(Nc3ncc4C(=O)N(COc4n3)c3c(Cl)cccc3Cl)ccc2C(C)(C)C1
Clc1cccc(Cl)c1N1COc2nc(Nc3ccc(cc3)N3CCNCC3)ncc2C1=O
CC(C)(O)C(=O)N1Cc2cc(Nc3ncc4C(=O)N(COc4n3)c3c(Cl)cccc3Cl)ccc2C(C)(C)C1
OCC(=O)N1CCc2ccc(Nc3ncc4C(=O)N(COc4n3)c3c(Cl)cccc3Cl)cc2C1
OCC(=O)N1CCN(CC1)c1ccc(Nc2ncc3C(=O)N(COc3n2)c2c(Cl)cccc2Cl)cc1
Clc1ccccc1N1COc2nc(Nc3ccc(cc3)N3CCNCC3)ncc2C1=O
CC1(C)CNCc2cc(Nc3ncc4C(=O)N(COc4n3)c3c(Cl)cccc3Cl)ccc12
CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)N(COc3n2)c2ccc(F)cc2Cl)cc1
Clc1cccc(Cl)c1N1COc2nc(Nc3ccc(cc3)C3CCNCC3)ncc2C1=O
OCC1CNCCN1c1ccc(Nc2ncc3C(=O)N(COc3n2)c2c(Cl)cccc2Cl)cc1
CC1(C)CNCc2cc(Nc3ncc4C(=O)N(COc4n3)c3ccc(F)cc3Cl)ccc12
CCS(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc3C(=O)N(COc3n2)c2c(Cl)cccc2Cl)cc1
OCc1cc(Nc2ncc3C(=O)N(COc3n2)c2c(Cl)cccc2Cl)ccc1N1CCNCC1
CC1Oc2nc(Nc3ccc(cc3)N3CCNCC3)ncc2C(=O)N1c1c(Cl)cccc1Cl
CCN1CCN(CC1)c1ccc(Nc2ncc3C(=O)N(COc3n2)c2c(Cl)cccc2Cl)cc1
CC(C)N1CCN(CC1)c1ccc(Nc2ncc3C(=O)N(COc3n2)c2c(Cl)cccc2Cl)cc1
CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)N(COc3n2)c2c(Cl)cccc2Cl)cc1CO
Clc1cccc(Cl)c1N1COc2nc(Nc3ccc(cc3)N3CCN(CC3)C3CC3)ncc2C1=O
CCN1Cc2cc(Nc3ncc4C(=O)N(COc4n3)c3c(Cl)cccc3Cl)ccc2C(C)(C)C1
Clc1cccc(Cl)c1N1COc2nc(Nc3ccc4CCNC(=O)c4c3)ncc2C1=O
Clc1cccc(Cl)c1N1COc2nc(Nc3ccc4CCNCc4c3)ncc2C1=O
CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)N(COc3n2)c2c(F)cccc2Cl)cc1
CC1CNCCN1c1ccc(Nc2ncc3C(=O)N(COc3n2)c2c(Cl)cccc2Cl)cc1
Fc1cccc(Cl)c1N1COc2nc(Nc3ccc(cc3)N3CCNCC3)ncc2C1=O
CC1(C)CNCc2cc(Nc3ncc4C(=O)N(COc4n3)c3c(F)cccc3Cl)ccc12
Fc1cc(Nc2ncc3C(=O)N(COc3n2)c2c(Cl)cccc2Cl)ccc1N1CCNCC1
Cc1cccc(Cl)c1N1COc2nc(Nc3ccc(cc3)N3CCNCC3)ncc2C1=O
CN1CCN(CC1)c1ccc(Nc2ccc3C(=O)N(COc3n2)c2c(Cl)cccc2Cl)cc1
Cc1cc(Nc2ncc3C(=O)N(COc3n2)c2c(Cl)cccc2Cl)ccc1N1CCNCC1
CN1CCc2ccc(Nc3ncc4C(=O)N(COc4n3)c3c(Cl)cccc3Cl)cc2C1
Clc1cccc(Cl)c1N1COc2nc(Nc3ccc(nc3)N3CCNCC3)ncc2C1=O
OC[C@H]1CNCCN1c1ccc(Nc2ncc3C(=O)N(COc3n2)c2c(Cl)cccc2Cl)cc1 |r|
OC[C@@H]1CNCCN1c1ccc(Nc2ncc3C(=O)N(COc3n2)c2c(Cl)cccc2Cl)cc1 |r|
Fc1cccc(F)c1N1COc2nc(Nc3ccc(cc3)N3CCNCC3)ncc2C1=O
Clc1cc(Nc2ncc3C(=O)N(COc3n2)c2c(Cl)cccc2Cl)ccc1N1CCNCC1
Clc1cccc(Cl)c1N1COc2nc(Nc3ccc(cc3)N3CCNCC3=O)ncc2C1=O
CN1CCC(CC1)c1ccc(Nc2ncc3C(=O)N(COc3n2)c2c(Cl)cccc2Cl)cc1CO
CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)N(COc3n2)c2c(Cl)cncc2Cl)cc1
Clc1cccc(Cl)c1N1COc2nc(Nc3ccc4CNCCc4c3)ncc2C1=O
OC1CCN(CC1)c1ccc(Nc2ncc3C(=O)N(COc3n2)c2c(Cl)cccc2Cl)cc1
NCC(=O)N1CCN(CC1)c1ccc(Nc2ncc3C(=O)N(COc3n2)c2c(Cl)cccc2Cl)cc1
C[C@H]1CN([C@H](C)CN1)c1ccc(Nc2ncc3C(=O)N(COc3n2)c2c(Cl)cccc2Cl)cc1 |r|
CNCCOc1ccc(Nc2ncc3C(=O)N(COc3n2)c2c(Cl)cccc2Cl)cc1
C[C@@H]1CNCCN1c1ccc(Nc2ncc3C(=O)N(COc3n2)c2c(Cl)cccc2Cl)cc1 |r|
COc1cc(Nc2ncc3C(=O)N(COc3n2)c2c(Cl)cccc2Cl)ccc1C1CCNCC1
Clc1cccc(Cl)c1N1COc2nc(Nc3ccc4c(CNCC44CC4)c3)ncc2C1=O
CN1CCC(CC1)c1ccc(Nc2ncc3C(=O)N(COc3n2)c2c(Cl)cccc2Cl)cc1
COc1cc(Nc2ncc3C(=O)N(COc3n2)c2c(Cl)cccc2Cl)ccc1N1CCNCC1
CNCCNc1ccc(Nc2ncc3C(=O)N(COc3n2)c2c(Cl)cccc2Cl)cc1
Clc1cccc(Cl)c1N1COc2nc(Nc3ccc(N4CCNCC4)c(c3)C#N)ncc2C1=O
Clc1cccc(Cl)c1N1COc2nc(Nc3ccc(cc3)N3CCCC3)ncc2C1=O
CNCC(=O)N1CCN(CC1)c1ccc(Nc2ncc3C(=O)N(COc3n2)c2c(Cl)cccc2Cl)cc1
OCCN1CCN(CC1)c1ccc(Nc2ncc3C(=O)N(COc3n2)c2c(Cl)cccc2Cl)cc1
CC1CCN(CC1)c1ccc(Nc2ncc3C(=O)N(COc3n2)c2c(Cl)cccc2Cl)cc1
Cc1cc(Nc2ncc3C(=O)N(COc3n2)c2c(Cl)cccc2Cl)ccc1C1CCNCC1
Clc1cccc(Cl)c1N1COc2nc(Nc3ccc(cc3)N3CCCNCC3)ncc2C1=O
CC1Oc2nc(Nc3ccc(N4CCNCC4)c(CO)c3)ncc2C(=O)N1c1c(Cl)cccc1Cl
FC1(F)CCN(CC1)c1ccc(Nc2ncc3C(=O)N(COc3n2)c2c(Cl)cccc2Cl)cc1
Clc1cccc(Cl)c1N1COc2nc(Nc3ccc4cnccc4c3)ncc2C1=O
FC(F)CN1CCc2ccc(Nc3ncc4C(=O)N(COc4n3)c3c(Cl)cccc3Cl)cc2C1
OCC1CN(CCN1)c1ccc(Nc2ncc3C(=O)N(COc3n2)c2c(Cl)cccc2Cl)cc1
C[C@@H]1CN(CCN1)c1ccc(Nc2ncc3C(=O)N(COc3n2)c2c(Cl)cccc2Cl)cc1 |r|
C[C@@H]1CN(CCN1)c1ccc(Nc2ncc3C(=O)N(COc3n2)c2c(Cl)cccc2Cl)cc1F |r|
Clc1cccc(Cl)c1N1COc2nc(Nc3ccc4[nH]ccc4c3)ncc2C1=O
Cc1cc(Nc2ncc3C(=O)N(COc3n2)c2c(Cl)cccc2Cl)cc(C)c1N1CCNCC1
Clc1cccc(Cl)c1N1COc2nc(Nc3ccc4[nH]ncc4c3)ncc2C1=O
CN(c1ccc(cc1)N1CCNCC1)c1ncc2C(=O)N(COc2n1)c1c(Cl)cccc1Cl
CN(C)Cc1c[nH]c2cc(Nc3ncc4C(=O)N(COc4n3)c3c(Cl)cccc3Cl)ccc12
CN(C)C1CCN(CC1)c1ccc(Nc2ncc3C(=O)N(COc3n2)c2c(Cl)cccc2Cl)cc1
Clc1cccc(Cl)c1N1COc2nc(Nc3ccc4CCCNc4c3)ncc2C1=O
Clc1cccc(Cl)c1N1COc2nc(Nc3ccc4NCCCc4c3)ncc2C1=O
CCN(CC)CCOc1ccc(Nc2ncc3C(=O)N(COc3n2)c2c(Cl)cccc2Cl)cc1
Clc1cccc(Cl)c1N1COc2nc(Nc3ccc4NCCNc4c3)ncc2C1=O
CC1(C)NCCc2cc(Nc3ncc4C(=O)N(COc4n3)c3c(Cl)cccc3Cl)ccc12
CC1CN(CCN1)c1ccc(Nc2ncc3C(=O)N(COc3n2)c2c(Cl)cccc2Cl)cc1Cl |w:1.0|
C[C@H]1CN(CCN1)c1ccc(Nc2ncc3C(=O)N(COc3n2)c2c(Cl)cccc2Cl)cc1Cl |r|
CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)N(CSc3n2)c2c(Cl)cccc2Cl)cc1
CC1(C)CNCc2cc(Nc3ncc4C(=O)N(CSc4n3)c3c(Cl)cccc3Cl)ccc12
CN(C)C1CCN(CC1)c1ccc(Nc2ncc3C(=O)N(CSc3n2)c2c(Cl)cccc2Cl)cc1
Clc1cccc(Cl)c1N1CSc2nc(Nc3ccc4CCNCc4c3)ncc2C1=O
Clc1cccc(Cl)c1N1CSc2nc(Nc3ccc4CNCCc4c3)ncc2C1=O
Cc1cc(Nc2ncc3C(=O)N(CSc3n2)c2c(Cl)cccc2Cl)ccc1N1CCNCC1
Clc1cc(Nc2ncc3C(=O)N(CSc3n2)c2c(Cl)cccc2Cl)ccc1N1CCNCC1
CC1(C)CNCc2cc(Nc3ncc4C(=O)N(CSc4n3)c3c(F)cccc3Cl)ccc12
CN(C)C1CCN(CC1)c1ccc(Nc2ncc3C(=O)N(CSc3n2)c2c(Cl)cccc2Cl)cc1C#N
CN(C)C1CCN(CC1)c1ccc(Nc2ncc3C(=O)N(CSc3n2)c2c(Cl)cccc2Cl)cc1Cl
CN1Cc2cc(Nc3ncc4C(=O)N(CSc4n3)c3c(Cl)cccc3Cl)ccc2C(C)(C)C1
COc1cc(Nc2ncc3C(=O)N(CSc3n2)c2c(Cl)cccc2Cl)ccc1N1CCC(CC1)N(C)C
CC1CNCCN1c1ccc(Nc2ncc3C(=O)N(CSc3n2)c2c(Cl)cccc2Cl)cc1Cl
CC1CN(CCN1)c1ccc(Nc2ncc3C(=O)N(CSc3n2)c2c(Cl)cccc2Cl)cc1Cl
CN(C)C1CCN(CC1)c1ccc(Nc2ncc3C(=O)N(CSc3n2)c2c(F)cccc2Cl)cc1Cl
CC1(C)NCCc2cc(Nc3ncc4C(=O)N(CSc4n3)c3c(Cl)cccc3Cl)ccc12
C[C@H]1CNCCN1c1ccc(Nc2ncc3C(=O)N(COc3n2)c2c(Cl)cccc2Cl)cc1 |r|
C[C@@H]1CN(CCN1)c1ccc(Nc2ncc3C(=O)N(COc3n2)c2c(Cl)cccc2Cl)cc1Cl |r|
CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2ccccc2)n(CC=C)c3=O)cc1
C=CCn1n(-c2ccccc2)c2nc(Nc3ccc(cc3)N3CCC4(CCNCC4)CC3)ncc2c1=O
CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2ccccn2)n(CC=C)c3=O)cc1
CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2ncccn2)n(CC=C)c3=O)cc1
CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cnccn2)n(CC=C)c3=O)cc1
CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cncnc2)n(CC=C)c3=O)cc1
CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccs2)n(CC=C)c3=O)cc1
CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2ccsc2)n(CC=C)c3=O)cc1
CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2nccs2)n(CC=C)c3=O)cc1
CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(Cl)c2)n(CC=C)c3=O)cc1
CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2ccc(Cl)cc2)n(CC=C)c3=O)cc1
CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(N)=O)n(CC=C)c3=O)cc1
CNC(=O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCC4(CCN(C)CC4)CC3)nc12
CN(C)C(=O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCC4(CCN(C)CC4)CC3)nc12
CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(c2)C(N)=O)n(CC=C)c3=O)cc1
CNC(=O)c1cccc(c1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCC4(CCN(C)CC4)CC3)nc12
CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2ccccc2)n(C)c3=O)cc1
CCn1n(-c2ccccc2)c2nc(Nc3ccc(cc3)N3CCC4(CCN(C)CC4)CC3)ncc2c1=O
CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2ccccc2)n(CC(F)F)c3=O)cc1
CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2ccccc2)n(Cc2ccccc2)c3=O)cc1
CCCn1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc(cc3)N3CCC4(CCN(C)CC4)CC3)ncc2c1=O
CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(Cl)n2)n(CC=C)c3=O)cc1
CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2ccc(Cl)cn2)n(CC=C)c3=O)cc1
CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(F)n2)n(CC=C)c3=O)cc1
CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2ccc(F)cn2)n(CC=C)c3=O)cc1
CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)cc1
CC(=O)N1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)cc1
COC(=O)N1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)cc1
CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)nc1
CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)cc1F
CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)c(C)c1
CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)cc1C
COc1cc(ccc1Nc1ncc2c(n1)n(-c1cccc(n1)C(C)(C)O)n(CC=C)c2=O)N1CCC2(CCN(C)CC2)CC1
COc1cc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)ccc1N1CCC2(CCN(C)CC2)CC1
CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(CC=C)n(-c2ccccc2Cl)c3=O)cc1 |(-11.5,5.47,;-10.16,4.7,;-8.83,5.47,;-7.5,4.7,;-7.5,3.16,;-8.83,2.39,;-10.16,3.16,;-6.16,3.93,;-4.83,3.16,;-4.83,1.62,;-6.16,.85,;-7.5,1.62,;-3.49,.85,;-3.49,-.69,;-2.16,-1.46,;-.83,-.69,;.51,-1.46,;1.84,-.69,;1.84,.85,;3.17,1.62,;4.51,.85,;4.51,-.69,;3.17,-1.46,;5.97,-1.16,;6.37,-2.65,;5.6,-3.98,;6,-5.47,;6.88,.08,;8.42,.08,;9.19,1.42,;10.73,1.42,;11.5,.08,;10.73,-1.25,;9.19,-1.25,;8.42,-2.58,;5.97,1.33,;6.37,2.82,;-.83,.85,;-2.16,1.62,)|
CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C2(O)CCC2)n(CC=C)c3=O)cc1
CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(O)C(F)(F)F)n(CC=C)c3=O)cc1
CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C2(O)COC2)n(CC=C)c3=O)cc1
CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C2(F)COC2)n(CC=C)c3=O)cc1
CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)N2CCCC2=O)n(CC=C)c3=O)cc1
CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C2CC2)n(CC=C)c3=O)cc1
CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(F)(F)F)n(CC=C)c3=O)cc1
COc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCC4(CCN(C)CC4)CC3)nc12
CC(C)Oc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCC4(CCN(C)CC4)CC3)nc12
CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(F)F)n(CC=C)c3=O)cc1
CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(OC4CC4)n2)n(CC=C)c3=O)cc1
CCOc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCC4(CCN(C)CC4)CC3)nc12
CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(OC4COC4)n2)n(CC=C)c3=O)cc1
CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(OC4CCC4)n2)n(CC=C)c3=O)cc1
CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(O[C@H]4CCOC4)n2)n(CC=C)c3=O)cc1 |r|
CN1CCN(C1=O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCC4(CCN(C)CC4)CC3)nc12
CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)N2CCOC2=O)n(CC=C)c3=O)cc1
CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)N2CCN(C(=O)OC(C)(C)C)C2=O)n(CC=C)c3=O)cc1
CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)P(C)(C)=O)n(CC=C)c3=O)cc1
CC(C)(O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCC4(CCN(CCF)CC4)CC3)nc12
CC(C)(O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCC4(CCN(CC(F)F)CC4)CC3)nc12
CC(C)(O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCC4(CCN(CCC#N)CC4)CC3)nc12
CC(C)(O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCC4(CCN(CC#N)CC4)CC3)nc12
COCCN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)cc1
CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C2(F)CC(F)(F)C2)n(CC=C)c3=O)cc1
CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C2(O)CC(F)(F)C2)n(CC=C)c3=O)cc1
CC(C)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCC4(CCN(C)CC4)CC3)nc12
CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C2(C)CC2)n(CC=C)c3=O)cc1
CC(C)(O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCC4(CCN(CC4)C4COC4)CC3)nc12
COC(=O)N1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(=O)N(C)C)n(CC=C)c3=O)cc1
COC(=O)N1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C2(O)COC2)n(CC=C)c3=O)cc1
COC(=O)N1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)N2CC(F)(F)C2)n(CC=C)c3=O)cc1
COC1(COC1)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCC4(CCN(C)CC4)CC3)nc12
CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)[C@@](C)(O)C(F)(F)F)n(CC=C)c3=O)cc1 |r|
CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)[C@](C)(O)C(F)(F)F)n(CC=C)c3=O)cc1 |r|
CC(C)(O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCC4(CCNCC4)CC3)nc12
FC1(COC1)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCC4(CCNCC4)CC3)nc12
CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(O)C(F)F)n(CC=C)c3=O)cc1
CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC(F)=C)c3=O)cc1
CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3c(n2)n(-c2ccc(F)c(n2)C(C)(C)O)n(CC=C)c3=O)cc1
CC(C)(c1cccc(n1)N2c3c(cnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C(=O)N2CC=C)O
CN1Cc2cc(Nc3ncc4c(n3)n(-c3cccc(n3)C(C)(C)O)n(CC=C)c4=O)ccc2C2(CC2)C1
CC(C)(O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc4c(CNCC44CC4)c3)nc12
CC(C)N1Cc2cc(Nc3ncc4c(n3)n(-c3cccc(n3)C(C)(C)O)n(CC=C)c4=O)ccc2C2(CC2)C1
CC(=O)N1Cc2cc(Nc3ncc4c(n3)n(-c3cccc(n3)C(C)(C)O)n(CC=C)c4=O)ccc2C2(CC2)C1
CN1CCc2ccc(Nc3ncc4c(n3)n(-c3cccc(n3)C(C)(C)O)n(CC=C)c4=O)cc2C1
CC(C)(O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc4CCNCc4c3)nc12
CCN1CCc2ccc(Nc3ncc4c(n3)n(-c3cccc(n3)C(C)(C)O)n(CC=C)c4=O)cc2C1
CC(=O)N1CCc2ccc(Nc3ncc4c(n3)n(-c3cccc(n3)C(C)(C)O)n(CC=C)c4=O)cc2C1
CC(C)(O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc4CCN(Cc4c3)S(C)(=O)=O)nc12
CC(C)N1CCc2ccc(Nc3ncc4c(n3)n(-c3cccc(n3)C(C)(C)O)n(CC=C)c4=O)cc2C1
CC(C)(O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc4c(CNCC4(C)C)c3)nc12
CN1Cc2cc(Nc3ncc4c(n3)n(-c3cccc(n3)C(C)(C)O)n(CC=C)c4=O)ccc2C(C)(C)C1
CC(C)(O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc4CCN(CCO)Cc4c3)nc12
CC(C)(O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc4CNCCc4c3)nc12
CN1CCc2cc(Nc3ncc4c(n3)n(-c3cccc(n3)C(C)(C)O)n(CC=C)c4=O)ccc2C1
CC(C)(O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc4CN(CCc4c3)C3COC3)nc12
CC(C)(O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc4CCNC(=O)c4c3)nc12
CN1CCc2ccc(Nc3ncc4c(n3)n(-c3cccc(n3)C(C)(C)O)n(CC=C)c4=O)cc2C1=O
CC(C)(O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc4CNCc4c3)nc12
CN(C)C1Cc2ccc(Nc3ncc4c(n3)n(-c3cccc(n3)C(C)(C)O)n(CC=C)c4=O)cc2C1
CN1Cc2ccc(Nc3ncc4c(n3)n(-c3cccc(n3)C(C)(C)O)n(CC=C)c4=O)cc2C1
CN1CCc2ccc(Nc3ncc4c(n3)n(-c3cccc(n3)C(C)(C)O)n(CC=C)c4=O)nc2C1
CN1CCc2ncc(Nc3ncc4c(n3)n(-c3cccc(n3)C(C)(C)O)n(CC=C)c4=O)cc2C1
CN1CCc2nc(Nc3ncc4c(n3)n(-c3cccc(n3)C(C)(C)O)n(CC=C)c4=O)ccc2C1
CC(C)(O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc4c(CNCC4(F)F)c3)nc12
C[C@H]1NCC(C)(C)c2ccc(Nc3ncc4c(n3)n(-c3cccc(n3)C(C)(C)O)n(CC=C)c4=O)cc12 |r|
C[C@@H]1NCC(C)(C)c2ccc(Nc3ncc4c(n3)n(-c3cccc(n3)C(C)(C)O)n(CC=C)c4=O)cc12 |r|
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2-c4cccc(OCCCC\C=C\Cn2c3=O)n4)cc1 |t:31|
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2-c4cccc(OCCC\C=C/Cn2c3=O)n4)cc1 |c:30|
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2-c4cccc(OCC\C=C/Cn2c3=O)n4)cc1 |c:29|
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2-c4cccc(OCCOC\C=C\Cn2c3=O)n4)cc1 |t:31|
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2-c4cccc(OCC\C=C/Cn2c3=O)n4)cc1CO |c:29|
COc1cc(Nc2ncc3c(n2)n2-c4cccc(OCC\C=C/Cn2c3=O)n4)ccc1N1CCN(C)CC1 |c:22|
CN1Cc2cc(Nc3ncc4c(n3)n3-c5cccc(OCC\C=C/Cn3c4=O)n5)ccc2C2(CC2)C1 |c:23|
CN1Cc2cc(Nc3ncc4c(n3)n3-c5cccc(OCCCC\C=C/Cn3c4=O)n5)ccc2C2(CC2)C1 |c:25|
CN1Cc2cc(Nc3ncc4c(n3)n3-c5cccc(OCC\C=C/Cn3c4=O)n5)ccc2C(C)(C)C1 |c:23|
CN1Cc2ccc(Nc3ncc4c(n3)n3-c5cccc(OCCOC\C=C\Cn3c4=O)n5)cc2C(C)(C)C1 |t:26|
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2-c4cccc(n4)N(CCCCC=CCn2c3=O)C(C)=O)cc1 |w:30.32|
CN1Cc2cc(Nc3ncc4c(n3)n3-c5cccc(n5)N(CCC\C=C/Cn3c4=O)C(C)=O)ccc2C2(CC2)C1 |c:26|
CN1Cc2cc(Nc3ncc4c(n3)n3-c5cccc(n5)N(CC\C=C/Cn3c4=O)C(C)=O)ccc2C(C)(C)C1 |c:25|
CN1Cc2cc(Nc3ncc4c(n3)n3-c5cccc(n5)N(CCC\C=C/Cn3c4=O)C(C)=O)ccc2C(C)(C)C1 |c:26|
CSc1ncc2c(n1)n(-c1ccc3OCC(=O)N(CCCCC=C)c3n1)n(CC=C)c2=O
CN1Cc2cc(Nc3ncc4c(n3)n3-c5ccc6OCC(=O)N(CCCC\C=C\Cn3c4=O)c6n5)ccc2C2(CC2)C1 |t:28|
CN1Cc2cc(Nc3ncc4c(n3)n3-c5ccc6OCC(=O)N(CCC\C=C/Cn3c4=O)c6n5)ccc2C2(CC2)C1 |c:27|
CN1Cc2cc(Nc3ncc4c(n3)n3-c5ccc6OCC(=O)N(CC\C=C/Cn3c4=O)c6n5)ccc2C2(CC2)C1 |c:26|
CCN1Cc2cc(Nc3ncc4c(n3)n3-c5ccc6OCC(=O)N(CCC\C=C/Cn3c4=O)c6n5)ccc2C2(CC2)C1 |c:28|
CC(C)N1Cc2cc(Nc3ncc4c(n3)n3-c5ccc6OCC(=O)N(CCC\C=C/Cn3c4=O)c6n5)ccc2C2(CC2)C1 |c:29|
CC(C)N1Cc2ccc(Nc3ncc4c(n3)n3-c5ccc6OCC(=O)N(CCC\C=C/Cn3c4=O)c6n5)cc2C2(CC2)C1 |c:30|
FC(F)CN1Cc2cc(Nc3ncc4c(n3)n3-c5ccc6OCC(=O)N(CCC\C=C/Cn3c4=O)c6n5)ccc2C2(CC2)C1 |c:30|
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2-c4ccc5OCC(=O)N(CCC\C=C/Cn2c3=O)c5n4)cc1CO |c:33|
COc1cc(Nc2ncc3c(n2)n2-c4ccc5OCC(=O)N(CCC\C=C/Cn2c3=O)c5n4)ccc1N1CCN(C)CC1 |c:26|
CC1CN(CCN1C)c1ccc(Nc2ncc3c(n2)n2-c4ccc5OCC(=O)N(CCC\C=C/Cn2c3=O)c5n4)cc1 |c:34|
CN1C[C@@H]2C[C@H]1CN2c1ccc(Nc2ncc3c(n2)n2-c4ccc5OCC(=O)N(CCC\C=C/Cn2c3=O)c5n4)cc1 |r,c:35|
COc1cc(Nc2ncc3c(n2)n2-c4ccc5OCC(=O)N(CCC\C=C/Cn2c3=O)c5n4)ccc1N1CCN(C)C(C)C1 |c:26|
CN1CCN(Cc2ccc(Nc3ncc4c(n3)n3-c5ccc6OCC(=O)N(CCC\C=C/Cn3c4=O)c6n5)cc2)CC1 |c:31|
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2-c4ccc5OCC(=O)N(CCC\C=C/Cn2c3=O)c5n4)cc1 |c:33|
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2-c4ccc5OCC(=O)N(CCC\C=C/Cn2c3=O)c5n4)cc1F |c:33|
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2-c4ccc5OCC(=O)N(CCCC=CCn2c3=O)c5n4)cc1C |w:31.32|
O=C1COc2ccc-3nc2N1CCC\C=C/Cn1n-3c2nc(Nc3ccc(cc3)N3CCN4CCCC4C3)ncc2c1=O |c:16|
COc1cc(Nc2ncc3c(n2)n2-c4ccc5OCC(=O)N(CCC\C=C\Cn2c3=O)c5n4)ccc1N1CCN(C)CC1 |t:26|
CN1CCN(C)c2ccc(Nc3ncc4c(n3)n3-c5ccc6OCC(=O)N(CCC\C=C/Cn3c4=O)c6n5)cc2C1 |c:31|
CN1CCOc2ccc(Nc3ncc4c(n3)n3-c5ccc6OCC(=O)N(CCC\C=C/Cn3c4=O)c6n5)cc2C1 |c:30|
CN1Cc2cc(Nc3ncc4c(n3)n3-c5ccc6OCC(=O)N(CCC\C=C/Cn3c4=O)c6n5)ccc2C(C)(C)C1 |c:27|
CC(C)(C)OC(=O)N1Cc2cc(Nc3ncc4c(n3)n3-c5ccc6OCC(=O)N(CCC\C=C/Cn3c4=O)c6n5)ccc2C(C)(C)C1 |c:33|
CN1Cc2cc(Nc3ncc4c(n3)n3-c5ccc6OCC(=O)N(CCC\C=C/Cn3c4=O)c6n5)ccc2C1=O |c:27|
CN(C)CCn1ccc2cc(Nc3ncc4c(n3)n3-c5ccc6OCC(=O)N(CCC\C=C/Cn3c4=O)c6n5)ccc12 |c:32|
CN1CCCC(C1)n1ccc2cc(Nc3ncc4c(n3)n3-c5ccc6OCC(=O)N(CCC\C=C/Cn3c4=O)c6n5)ccc12 |c:35|
CC(C)(C)OC(=O)N1CCC(CC1)n1ccc2cc(Nc3ncc4c(n3)n3-c5ccc6OCC(=O)N(CCC\C=C/Cn3c4=O)c6n5)ccc12 |c:41|
COC(=O)N1CCC(CC1)n1ccc2cc(Nc3ncc4c(n3)n3-c5ccc6OCC(=O)N(CCC\C=C/Cn3c4=O)c6n5)ccc12 |c:38|
CN1CCC(CC1)n1ccc2cc(Nc3ncc4c(n3)n3-c5ccc6OCC(=O)N(CCC\C=C/Cn3c4=O)c6n5)ccc12 |c:35|
CN1CCC(C1)n1ccc2cc(Nc3ncc4c(n3)n3-c5ccc6OCC(=O)N(CCC\C=C/Cn3c4=O)c6n5)ccc12 |c:34|
CC(C)N1CCC(CC1)n1ccc2cc(Nc3ncc4c(n3)n3-c5ccc6OCC(=O)N(CCC\C=C/Cn3c4=O)c6n5)ccc12 |c:37|
CN1CCn2c(C1)cc1cc(Nc3ncc4c(n3)n3-c5ccc6OCC(=O)N(CCC\C=C/Cn3c4=O)c6n5)ccc21 |c:33|
CS(=O)(=O)CCN1CCC(CC1)n1ccc2cc(Nc3ncc4c(n3)n3-c5ccc6OCC(=O)N(CCC\C=C/Cn3c4=O)c6n5)ccc12 |c:40|
OCCN1CCC(CC1)n1ccc2cc(Nc3ncc4c(n3)n3-c5ccc6OCC(=O)N(CCC\C=C/Cn3c4=O)c6n5)ccc12 |c:37|
CC(C)N1CCC(CC1)n1ncc2cc(Nc3ncc4c(n3)n3-c5ccc6OCC(=O)N(CCC\C=C/Cn3c4=O)c6n5)ccc12 |c:37|
CN1Cc2cc(Nc3ncc4c(n3)n3-c5ccc6OCC(=O)N(CCC\C=C/Cn3c4=O)c6c5)ccc2C2(CC2)C1 |c:27|
COc1cc(Nc2ncc3c(n2)n2-c4ccc5CCC(=O)N(CCC\C=C/Cn2c3=O)c5n4)ccc1N1CCN(C)CC1 |c:26|
CN(C)CCn1ccc2cc(Nc3ncc4c(n3)n3-c5cccc(n5)C(C)(O)CCC\C=C/Cn3c4=O)ccc12 |c:33|
CN1Cc2cc(Nc3ncc4c(n3)n3-c5ccc6OC(C)(C)C(=O)N(CCC\C=C/Cn3c4=O)c6n5)ccc2C2(CC2)C1 |c:29|
CN1Cc2cc(Nc3ncc4c(n3)n3-c5ccc6OCCN(c6n5)C(=O)CC\C=C/Cn3c4=O)ccc2C(C)(C)C1 |c:31|
CN1Cc2cc(Nc3ncc4c(n3)n3-c5ccc6OCCN(c6n5)C(=O)CC\C=C/Cn3c4=O)ccc2C2(CC2)C1 |c:31|
CN1Cc2cc(Nc3ncc4c(n3)n3-c5ccc6OCCN(CCC\C=C/Cn3c4=O)c6n5)ccc2C2(CC2)C1 |c:26|
COc1cc(Nc2ncc3c(n2)n2-c4ccc5OCCN(CCC\C=C/Cn2c3=O)c5n4)ccc1N1CCN(C)CC1 |c:25|
CN1Cc2cc(Nc3ncc4c(n3)n3-c5ccc6OCCN(c6n5)C(=O)OC\C=C/Cn3c4=O)ccc2C2(CC2)C1 |c:31|
CN1Cc2cc(Nc3ncc4c(n3)n3-c5cccc(n5)N(C)CCC\C=C/Cn3c4=O)ccc2C(C)(C)C1 |c:27|
CSc1ncc2c(n1)n(-c1ccc3OCC(=O)N(CCCC#CCOC4CCCCO4)c3n1)n(CC=C)c2=O
COc1cc(Nc2ncc3c(n2)n2-c4ccc5OCC(=O)N(CCCC#CCn2c3=O)c5n4)ccc1N1CCN(C)CC1
COc1cc(Nc2ncc3c(n2)n2-c4ccc5OCC(=O)N(CCC#CCn2c3=O)c5n4)ccc1N1CCN(C)CC1
CC(C)(O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc4CCN(Cc4c3)C(=O)CO)nc12
CC(C)(O)C(=O)N1Cc2cc(Nc3ncc4c(n3)n(-c3cccc(n3)C(C)(C)O)n(CC=C)c4=O)ccc2C(C)(C)C1
CC(C)(O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc4c(CN(CC4(C)C)C(=O)CO)c3)nc12
CCn1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc4CCNCc4c3)ncc2c1=O
CC(C)n1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc4CCNCc4c3)ncc2c1=O
CC(C)(O)c1cccc(n1)-n1n(CC2CC2)c(=O)c2cnc(Nc3ccc4CCNCc4c3)nc12
CCn1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc4CNCCc4c3)ncc2c1=O
CCn1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc4c(CNCC4(C)C)c3)ncc2c1=O
CCn1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc4c(CN(CC4(C)C)C(=O)CO)c3)ncc2c1=O
CCCn1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc4CCNCc4c3)ncc2c1=O
CCn1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc4c(CN(C)CC4(C)C)c3)ncc2c1=O
CC(C)(O)c1cccc(n1)-n1n(C2CC2)c(=O)c2cnc(Nc3ccc4CCNCc4c3)nc12
CCn1n(-c2cccc(OC)n2)c2nc(Nc3ccc4CCNCc4c3)ncc2c1=O
CCn1n(-c2cccc(OC)n2)c2nc(Nc3ccc4CNCCc4c3)ncc2c1=O
CC(C)n1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc4CNCCc4c3)ncc2c1=O
CCn1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc4c(CNCC44CC4)c3)ncc2c1=O
CCn1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3cccc4CNCCc34)ncc2c1=O
CC(C)(O)c1cccc(n1)-n1n(C2CC2)c(=O)c2cnc(Nc3ccc4CNCCc4c3)nc12
CCn1n(-c2cccc(n2)N2CCCC2=O)c2nc(Nc3ccc4CCNCc4c3)ncc2c1=O
CCn1n(-c2cccc(NC)n2)c2nc(Nc3ccc4CCNCc4c3)ncc2c1=O
CCn1n(-c2cccc(n2)C(=O)NC)c2nc(Nc3ccc4CCNCc4c3)ncc2c1=O
CCn1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3cnc4CCNCc4c3)ncc2c1=O
CCn1n(-c2cccc(n2)C(C)(C)C)c2nc(Nc3ccc4CCNCc4c3)ncc2c1=O
CCn1n(-c2cccc(NC(C)=O)n2)c2nc(Nc3ccc4CCNCc4c3)ncc2c1=O
CCn1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc4CCN(CCO)Cc4c3)ncc2c1=O
CCn1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc4CCN(CC(=O)N(C)C)Cc4c3)ncc2c1=O
CCn1n(-c2ccccn2)c2nc(Nc3ccc4CCNCc4c3)ncc2c1=O
CCn1n(-c2cccc(n2)C(C)(C)C)c2nc(Nc3ccc4CNCCc4c3)ncc2c1=O
CCn1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc4CNCc4c3)ncc2c1=O
CCn1n(-c2cccc(n2)C(F)(F)F)c2nc(Nc3ccc4CCNCc4c3)ncc2c1=O
CCn1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc4CC(Cc4c3)N(C)C)ncc2c1=O
CCn1n(-c2ccnc(c2)C(C)(C)C)c2nc(Nc3ccc4CCNCc4c3)ncc2c1=O
CCn1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc4CCC(Cc4c3)N(C)C)ncc2c1=O
CCn1n(-c2ccnc(c2)C(C)(C)C)c2nc(Nc3ccc4CNCCc4c3)ncc2c1=O
CC(C)n1n(-c2ccnc(c2)C(C)(C)C)c2nc(Nc3ccc4CCNCc4c3)ncc2c1=O
CC(C)n1n(-c2ccnc(c2)C(C)(C)C)c2nc(Nc3ccc4CNCCc4c3)ncc2c1=O
CC(C)n1n(-c2cccc(n2)C(C)(C)F)c2nc(Nc3ccc4CCNCc4c3)ncc2c1=O
CC(C)n1n(-c2cccc(n2)C(C)(C)F)c2nc(Nc3ccc4CNCCc4c3)ncc2c1=O
CCn1n(-c2cccc(n2)C(C)(C)C)c2nc(Nc3cnc4CCNCc4c3)ncc2c1=O
CCn1n(-c2cccc(n2)C(C)(C)C)c2nc(Nc3ccc4CNCc4c3)ncc2c1=O
CC(C)(C)c1cccc(n1)-n1n(C2CC2)c(=O)c2cnc(Nc3ccc4CNCCc4c3)nc12
CC(C)n1n(-c2cccc(n2)C(C)(C)C)c2nc(Nc3ccc4CCNCc4c3)ncc2c1=O
CC(C)n1n(-c2cccc(n2)C(C)(C)C)c2nc(Nc3ccc4CNCCc4c3)ncc2c1=O
CC(C)(F)c1cccc(n1)-n1n(C2CC2)c(=O)c2cnc(Nc3ccc4CNCCc4c3)nc12
CC(C)n1n(-c2cccc(n2)C2CC2)c2nc(Nc3ccc4CCNCc4c3)ncc2c1=O
CC(C)n1n(-c2cccc(n2)C2CC2)c2nc(Nc3ccc4CNCCc4c3)ncc2c1=O
CC(n1n(-c2cccc(n2)C(C)(C)C)c2nc(Nc3ccc4CCNCc4c3)ncc2c1=O)C(F)(F)F
CC(C)(C)c1cccc(n1)-n1n(c(=O)c2cnc(Nc3ccc4CCNCc4c3)nc12)C(C)(C)C
CC(C)(C)c1cccc(n1)-n1n(CC(F)(F)F)c(=O)c2cnc(Nc3ccc4CCNCc4c3)nc12
CC(CO)n1n(-c2cccc(n2)C(C)(C)C)c2nc(Nc3ccc4CCNCc4c3)ncc2c1=O
COCCn1n(-c2cccc(n2)C(C)(C)C)c2nc(Nc3ccc4CCNCc4c3)ncc2c1=O
CC(C)n1n(-c2cccc(c2)C(C)(C)C)c2nc(Nc3ccc4CNCCc4c3)ncc2c1=O
CC(C)n1n(-c2cccc(c2)C(C)(C)C)c2nc(Nc3ccc4CCNCc4c3)ncc2c1=O
CC(C)(C)c1cc(ccn1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc4CNCCc4c3)nc12
CC(C)(C)c1cc(ccn1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc4CCNCc4c3)nc12
CC(C)(C)c1cc(ccn1)-n1n(C2CC2)c(=O)c2cnc(Nc3ccc4CNCCc4c3)nc12
CC(C)(C)c1cc(ccn1)-n1n(C2CC2)c(=O)c2cnc(Nc3ccc4CCNCc4c3)nc12
CC(C)n1n(-c2cc(ccn2)C(C)(C)C)c2nc(Nc3ccc4CCNCc4c3)ncc2c1=O
CC(C)n1n(-c2cc(ccn2)C(C)(C)C)c2nc(Nc3ccc4CNCCc4c3)ncc2c1=O
CC(C)n1n(-c2ccnc(c2)C(C)(C)C)c2nc(Nc3ccc4c(CNCC44CC4)c3)ncc2c1=O
CC(C)n1n(-c2ccnc(c2)C(C)(C)C)c2nc(Nc3ccc4c(CNCC4(C)C)c3)ncc2c1=O
CC(C)n1n(-c2ccnc(c2)C(C)(C)F)c2nc(Nc3ccc4CNCCc4c3)ncc2c1=O
CC(C)n1n(-c2ccnc(c2)C(C)(C)C)c2nc(Nc3ccc4CC(Cc4c3)N(C)C)ncc2c1=O
CC(C)n1n(-c2ccnc(c2)C(C)(C)C)c2nc(Nc3ccc4CNCc4c3)ncc2c1=O
CC(C)n1n(-c2ccc(F)cc2)c2nc(Nc3ccc4CNCCc4c3)ncc2c1=O
CC(C)n1n(-c2ccc(F)cc2)c2nc(Nc3ccc4CCNCc4c3)ncc2c1=O
CC(C)n1n(-c2ccnc(c2)C(C)(C)F)c2nc(Nc3ccc4CCCNc4c3)ncc2c1=O
CC(C)n1n(-c2ccnc(c2)C(C)(C)F)c2nc(Nc3ccc4CCNCc4c3)ncc2c1=O
CC(C)n1n(-c2ccnc(c2)C(C)(C)C)c2nc(Nc3ccc4CC(CCc4c3)N(C)C)ncc2c1=O
CC(C)n1n(-c2ccnc(c2)C(C)(C)C)c2nc(Nc3ccc4CCC(Cc4c3)N(C)C)ncc2c1=O
CC(C)n1n(-c2ccnc(c2)N(C)C)c2nc(Nc3ccc4CNCCc4c3)ncc2c1=O
COC(=O)N1CCc2cc(Nc3ncc4c(n3)n(-c3ccnc(c3)C(C)(C)C)n(C(C)C)c4=O)ccc2C1
CC(C)(C)c1cc(ccn1)-n1n(CC(F)(F)F)c(=O)c2cnc(Nc3ccc4CCNCc4c3)nc12
CC(C)n1n(-c2ccc(N(C)C)c(c2)C(C)(C)C)c2nc(Nc3ccc4CNCCc4c3)ncc2c1=O
CC(C)n1n(-c2ccnc(c2)C(C)(C)C)c2nc(Nc3ccc4c(CCNC4(C)C)c3)ncc2c1=O
CC(C)n1n(-c2ccnc(c2)N(C)S(C)(=O)=O)c2nc(Nc3ccc4CNCCc4c3)ncc2c1=O
CC(C)n1n(-c2ccnc(c2)C(C)(C)O)c2nc(Nc3ccc4CNCCc4c3)ncc2c1=O
CC(C)(C)c1cc(ccn1)-n1n(C2CC2)c(=O)c2cnc(Nc3ccc4c(CCNC4(C)C)c3)nc12
CC(C)n1n(-c2ccnc(n2)C(C)(C)C)c2nc(Nc3ccc4CNCCc4c3)ncc2c1=O
CC(C)n1n(-c2ccnc(n2)C(C)(C)C)c2nc(Nc3ccc4CCNCc4c3)ncc2c1=O
CC(C)n1n(-c2ccc(F)c(c2)C(C)(C)O)c2nc(Nc3ccc4CNCCc4c3)ncc2c1=O
CC(C)n1n(-c2ccc(F)c(c2)C(C)(C)O)c2nc(Nc3ccc4CCNCc4c3)ncc2c1=O
CC(C)n1n(-c2ccnc(c2)C(C)(C)F)c2nc(Nc3ccc4c(CCNC4(C)C)c3)ncc2c1=O
CC(C)n1n(-c2ccn(n2)C2CC2)c2nc(Nc3ccc4CNCCc4c3)ncc2c1=O
CC(C)n1n(-c2ccn(n2)C2CC2)c2nc(Nc3ccc4CCNCc4c3)ncc2c1=O
CC(C)n1n(-c2ccn(C)n2)c2nc(Nc3ccc4CNCCc4c3)ncc2c1=O
CC(C)n1n(-c2ccc(F)cn2)c2nc(Nc3ccc4CNCCc4c3)ncc2c1=O
CC(C)n1n(-c2ccc(F)cn2)c2nc(Nc3ccc4CCNCc4c3)ncc2c1=O
CC(C)n1n(-c2ccn(C)n2)c2nc(Nc3ccc4CCNCc4c3)ncc2c1=O
COC(C)(C)c1cc(ccn1)-n1n(C(C)C)c(=O)c2cnc(Nc3ccc4CNCCc4c3)nc12
CC(C)n1n(-c2cccc(n2)N(C)S(C)(=O)=O)c2nc(Nc3ccc4c(CCNC4(C)C)c3)ncc2c1=O
CC(C)n1n(-c2ccn(n2)C2CC2)c2nc(Nc3ccc4c(CCNC4(C)C)c3)ncc2c1=O
CC(C)n1n(-c2ccnc(c2)C(C)(C)C)c2nc(Nc3ccc4CN(C)CCc4c3)ncc2c1=O
CC(C)n1n(-c2cccc(n2)N(C)S(C)(=O)=O)c2nc(Nc3ccc4CNCCc4c3)ncc2c1=O
CC(C)n1n(-c2ccn(n2)C2CC2)c2nc(Nc3ccc4c(CNCC4(C)C)c3)ncc2c1=O
CC(C)n1n(-c2ccsc2)c2nc(Nc3ccc4CNCCc4c3)ncc2c1=O
CC(C)n1n(-c2ccn(n2)C(C)(C)C)c2nc(Nc3ccc4CNCCc4c3)ncc2c1=O
CC(C)(C)c1cc(ccn1)-n1n(C2CC2)c(=O)c2cnc(Nc3ccc4c(CNCC4(C)C)c3)nc12
CC(C)n1n(-c2ccnc(c2)C(C)(C)C)c2cc(Nc3ccc4CNCCc4c3)ncc2c1=O
CC(C)(F)c1cc(ccn1)-n1n(C2CC2)c(=O)c2cnc(Nc3ccc4c(CCNC4(C)C)c3)nc12
CC(C)(F)c1cc(ccn1)-n1n(C2CC2)c(=O)c2cnc(Nc3ccc4c(CNCC4(C)C)c3)nc12
CC(C)n1n(-c2cccc(n2)C(C)(C)C#N)c2nc(Nc3ccc4CCNCc4c3)ncc2c1=O
CC(C)n1n(-c2cccc(n2)C(C)(C)C#N)c2nc(Nc3ccc4CNCCc4c3)ncc2c1=O
CC(C)n1n(-c2ccc(F)c(n2)C(C)(C)F)c2nc(Nc3ccc4CNCCc4c3)ncc2c1=O
CC(C)(F)c1nc(ccc1F)-n1n(C2CC2)c(=O)c2cnc(Nc3ccc4CNCCc4c3)nc12
CC(C)n1n(-c2ccc(F)c(n2)C(C)(C)F)c2nc(Nc3ccc4CCNCc4c3)ncc2c1=O
CC(C)(F)c1nc(ccc1F)-n1n(C2CC2)c(=O)c2cnc(Nc3ccc4c(CCNC4(C)C)c3)nc12
FC(F)(F)Cn1n(-c2cccc(n2)C2(CC2)C#N)c2nc(Nc3ccc4CCNCc4c3)ncc2c1=O
CCn1n(-c2cccc(n2)C2(CC2)C#N)c2nc(Nc3ccc4CNCCc4c3)ncc2c1=O
CCn1n(-c2cccc(n2)C2(CC2)C#N)c2nc(Nc3ccc4CCNCc4c3)ncc2c1=O
CCn1n(-c2cccc(n2)C2(CC2)C#N)c2nc(Nc3ccc4c(CCNC4(C)C)c3)ncc2c1=O
CCn1n(-c2cccc(n2)C2(CC2)C#N)c2nc(Nc3ccc4c(CNCC4(C)C)c3)ncc2c1=O
CCn1n(-c2cccc(n2)C2(CC2)C#N)c2nc(Nc3ccc4c(CCNC44CC4)c3)ncc2c1=O
CC(C)n1n(-c2cccc(n2)C2(CC2)C#N)c2nc(Nc3ccc4CNCCc4c3)ncc2c1=O
CC(C)n1n(-c2cccc(n2)C2(CC2)C#N)c2nc(Nc3ccc4CCNCc4c3)ncc2c1=O
CC(C)n1n(-c2cccc(n2)C2(CC2)C#N)c2nc(Nc3ccc4c(CCNC4(C)C)c3)ncc2c1=O
CCn1n(-c2ccnc(c2)C2(CC2)C#N)c2nc(Nc3ccc4c(CCNC4(C)C)c3)ncc2c1=O
CC(C)n1n(-c2ccnc(c2)C2(CC2)C#N)c2nc(Nc3ccc4CNCCc4c3)ncc2c1=O
CCn1n(-c2cccc(n2)C2(CF)CC2)c2nc(Nc3ccc4CCNCc4c3)ncc2c1=O
CC(C)n1n(-c2cccc(n2)C2(CF)CC2)c2nc(Nc3ccc4CNCCc4c3)ncc2c1=O
CCn1n(-c2ccc(F)c(n2)C(C)(C)F)c2nc(Nc3ccc4CCNCc4c3)ncc2c1=O
CC(C)n1n(-c2ccc(F)c(n2)C(C)(C)O)c2nc(Nc3ccc4CNCCc4c3)ncc2c1=O
CC(C)n1n(-c2ccc(F)c(n2)C(C)(C)O)c2nc(Nc3ccc4CCNCc4c3)ncc2c1=O
CC(C)n1n(-c2ccc(F)c(n2)C(C)(C)O)c2nc(Nc3ccc4c(CCNC4(C)C)c3)ncc2c1=O
CC(C)n1n(-c2ccc(F)c(n2)C(C)(C)O)c2nc(Nc3ccc4c(CNCC44CC4)c3)ncc2c1=O
CCn1n(-c2ccc(F)c(n2)C(C)(C)O)c2nc(Nc3ccc4CNCCc4c3)ncc2c1=O
CCn1n(-c2ccc(F)c(n2)C(C)(C)O)c2nc(Nc3ccc4CCNCc4c3)ncc2c1=O
CC(C)n1n(-c2nc(ccc2F)C(C)(C)C#N)c2nc(Nc3ccc4CNCCc4c3)ncc2c1=O |(-4.75,2.89,;-3.98,1.56,;-4.75,.22,;-2.44,1.56,;-1.53,.31,;-2.01,-1.15,;-3.51,-1.47,;-3.99,-2.94,;-2.96,-4.08,;-1.45,-3.76,;-.98,-2.3,;.53,-1.98,;-5.49,-3.26,;-5.81,-1.75,;-5.17,-4.76,;-7,-3.58,;-8.51,-3.9,;-.07,.79,;1.27,.02,;2.6,.79,;3.94,.02,;5.27,.79,;6.6,.02,;7.94,.79,;7.94,2.33,;9.27,3.1,;9.27,4.64,;7.94,5.41,;6.6,4.64,;6.6,3.1,;5.27,2.33,;2.6,2.33,;1.27,3.1,;-.07,2.33,;-1.53,2.8,;-2.01,4.27,)|
CC(C)n1n(-c2nc(ccc2F)C(C)(C)C#N)c2nc(Nc3ccc4CCNCc4c3)ncc2c1=O |(-4.75,2.89,;-3.98,1.56,;-4.75,.22,;-2.44,1.56,;-1.53,.31,;-2.01,-1.15,;-3.51,-1.47,;-3.99,-2.94,;-2.96,-4.08,;-1.45,-3.76,;-.98,-2.3,;.53,-1.98,;-5.49,-3.26,;-5.81,-1.75,;-5.17,-4.76,;-7,-3.58,;-8.51,-3.9,;-.07,.79,;1.27,.02,;2.6,.79,;3.94,.02,;5.27,.79,;6.6,.02,;7.94,.79,;7.94,2.33,;9.27,3.1,;9.27,4.64,;7.94,5.41,;6.6,4.64,;6.6,3.1,;5.27,2.33,;2.6,2.33,;1.27,3.1,;-.07,2.33,;-1.53,2.8,;-2.01,4.27,)|
CCn1n(-c2nc(ccc2F)C(C)(C)C#N)c2nc(Nc3ccc4c(CCNC4(C)C)c3)ncc2c1=O |(-6.04,2.86,;-5.27,1.53,;-3.73,1.53,;-2.82,.28,;-3.3,-1.18,;-4.8,-1.5,;-5.28,-2.96,;-4.25,-4.11,;-2.74,-3.79,;-2.27,-2.32,;-.76,-2,;-6.79,-3.28,;-7.11,-1.78,;-6.47,-4.79,;-8.29,-3.61,;-9.8,-3.93,;-1.36,.76,;-.02,-.01,;1.31,.76,;2.64,-.01,;3.98,.76,;5.31,-.01,;6.65,.76,;6.65,2.3,;5.31,3.07,;5.31,4.61,;6.65,5.38,;7.98,4.61,;7.98,3.07,;8.8,1.76,;9.52,3.02,;3.98,2.3,;1.31,2.3,;-.02,3.07,;-1.36,2.3,;-2.82,2.78,;-3.3,4.24,)|
CC(C)n1n(-c2nc(c(Cl)s2)C(C)(C)C)c2nc(Nc3ccc4CCNCc4c3)ncc2c1=O
CC(C)n1n(-c2csc(n2)C2CC2)c2nc(Nc3ccc4CNCCc4c3)ncc2c1=O
CC(C)n1n(-c2csc(n2)C2CC2)c2nc(Nc3ccc4CCNCc4c3)ncc2c1=O
CC(C)n1n(-c2cccc(n2)C(C)(C)C(F)(F)F)c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2c1=O
CC(C)n1n(-c2cccc(n2)C(C)(C)F)c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2c1=O
CC(C)n1n(-c2cccc(n2)C2CC2)c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2c1=O
CN1CCc2ccc(Nc3ncc(C#N)c(Nc4cccc(N=S(C)(C)=O)n4)n3)cc2C1
CN1CCc2ccc(Nc3ncc(c(Nc4cccc(N=S(C)(C)=O)n4)n3)C(F)(F)F)cc2C1
CN1CCc2ccc(Nc3ncc(C4CC4)c(Nc4cccc(N=S(C)(C)=O)n4)n3)cc2C1
CN1CCc2ccc(Nc3ncc(c(Nc4cccc(N=S(C)(C)=O)n4)n3)P(C)(C)=O)cc2C1
CN1CCc2ccc(Nc3ncc(c(Nc4cccc(N=S(C)(C)=O)n4)n3)S(C)(=O)=O)cc2C1
CN1CCc2ccc(Nc3ncc(C(N)=O)c(Nc4cccc(N=S(C)(C)=O)n4)n3)cc2C1
CNC(=O)c1cnc(Nc2ccc3CCN(C)Cc3c2)nc1Nc1cccc(N=S(C)(C)=O)n1
CN(C)C(=O)c1cnc(Nc2ccc3CCN(C)Cc3c2)nc1Nc1cccc(N=S(C)(C)=O)n1
CN1CCc2ccc(Nc3ncc(-c4ccco4)c(Nc4cccc(N=S(C)(C)=O)n4)n3)cc2C1
CN1CCc2ccc(Nc3ncc(-c4cn[nH]c4)c(Nc4cccc(N=S(C)(C)=O)n4)n3)cc2C1
CN1CCc2ccc(Nc3ncc(Br)c(Nc4cccc(N=S(C)(C)=O)n4)n3)cc2C1
CN1CCc2c(C)cc(Nc3ncc(C#N)c(Nc4cccc(N=S(C)(C)=O)n4)n3)cc2C1
CCc1cc(Nc2ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n2)cc2CN(C)CCc12
CC(C)c1cc(Nc2ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n2)cc2CN(C)CCc12
CN1CCc2c(C1)cc(Nc1ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n1)cc2C(C)=C
CN1CCc2c(C1)cc(Nc1ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n1)cc2C1CC1
CN1CCc2c(C1)cc(Nc1ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n1)cc2C1=CCCC1 |t:36|
CN1CCc2c(C1)cc(Nc1ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n1)cc2C1CCCC1
CN1CCc2c(C1)cc(Nc1ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n1)cc2N1CCCC1
CN1CCc2c(C1)cc(Nc1ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n1)cc2C(F)(F)F
CN1CCc2c(C1)cc(Nc1ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n1)cc2C(F)F
COc1cc(Nc2ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n2)cc2CN(C)CCc12
CCOc1cc(Nc2ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n2)cc2CN(C)CCc12
CC(C)Oc1cc(Nc2ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n2)cc2CN(C)CCc12
CN1CCc2c(F)cc(Nc3ncc(C#N)c(Nc4cccc(N=S(C)(C)=O)n4)n3)cc2C1
CN1CCc2c(Cl)cc(Nc3ncc(C#N)c(Nc4cccc(N=S(C)(C)=O)n4)n3)cc2C1
CN1CCc2c(Br)cc(Nc3ncc(C#N)c(Nc4cccc(N=S(C)(C)=O)n4)n3)cc2C1
CN1CCc2c(I)cc(Nc3ncc(C#N)c(Nc4cccc(N=S(C)(C)=O)n4)n3)cc2C1
CN1Cc2cc(Nc3ncc(C#N)c(Nc4cccc(N=S(C)(C)=O)n4)n3)ccc2C2(CC2)C1
CN1Cc2cc(Nc3ncc(C#N)c(Nc4cccc(N=S(C)(C)=O)n4)n3)cc(C)c2C2(CC2)C1
CCc1cc(Nc2ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n2)cc2CN(C)CC3(CC3)c12
CN1Cc2cc(Nc3ncc(C#N)c(Nc4cccc(N=S(C)(C)=O)n4)n3)cc(C3CC3)c2C2(CC2)C1
CC(C)c1cc(Nc2ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n2)cc2CN(C)CC3(CC3)c12
COc1cc(Nc2ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n2)cc2CN(C)CC3(CC3)c12
CN1Cc2cc(Nc3ncc(C#N)c(Nc4cccc(N=S(C)(C)=O)n4)n3)ccc2C(C)(C)C1
CN1Cc2cc(Nc3ncc(C#N)c(Nc4cccc(N=S(C)(C)=O)n4)n3)cc(C)c2C(C)(C)C1
CCc1cc(Nc2ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n2)cc2CN(C)CC(C)(C)c12
CC(C)c1cc(Nc2ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n2)cc2CN(C)CC(C)(C)c12
CN1Cc2cc(Nc3ncc(C#N)c(Nc4cccc(N=S(C)(C)=O)n4)n3)cc(C3CC3)c2C(C)(C)C1
COc1cc(Nc2ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n2)cc2CN(C)CC(C)(C)c12
CN1CCc2c(C1)cc(Nc1ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n1)cc2C#N
CN1CCc2c(C1)cc(Nc1ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n1)cc2C=C
CN1CCc2c(C1)cc(Nc1ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n1)cc2C#C
CN(C)c1cc(Nc2ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n2)cc2CN(C)CCc12
CCN1CCc2ccc(Nc3ncc(C#N)c(Nc4cccc(N=S(C)(C)=O)n4)n3)cc2C1
CS(C)(=O)=Nc1cccc(Nc2nc(Nc3ccc4CCN(Cc4c3)C3CC3)ncc2C#N)n1
CS(C)(=O)=Nc1cccc(Nc2nc(Nc3ccc4CCN(CCO)Cc4c3)ncc2C#N)n1
COCCN1CCc2ccc(Nc3ncc(C#N)c(Nc4cccc(N=S(C)(C)=O)n4)n3)cc2C1
CN(C)CCN1CCc2ccc(Nc3ncc(C#N)c(Nc4cccc(N=S(C)(C)=O)n4)n3)cc2C1
CN(C)C1CCc2ccc(Nc3ncc(C#N)c(Nc4cccc(N=S(C)(C)=O)n4)n3)cc2C1
CN(C)C1CCc2ccc(Nc3ncc(C#N)c(Nc4cccc(N=S(C)(C)=O)n4)n3)cc2CC1
CN(C)C1CCCc2ccc(Nc3ncc(C#N)c(Nc4cccc(N=S(C)(C)=O)n4)n3)cc2C1
CN1CCCc2ccc(Nc3ncc(C#N)c(Nc4cccc(N=S(C)(C)=O)n4)n3)cc2C1
CN1CCc2ccc(Nc3ncc(C#N)c(Nc4cccc(N=S(C)(C)=O)n4)n3)cc2CC1
CN(C)C1CC=Cc2ccc(Nc3ncc(C#N)c(Nc4cccc(N=S(C)(C)=O)n4)n3)cc2C1 |c:5|
CN1CCOc2ccc(Nc3ncc(C#N)c(Nc4cccc(N=S(C)(C)=O)n4)n3)cc2C1
CN1CCSc2ccc(Nc3ncc(C#N)c(Nc4cccc(N=S(C)(C)=O)n4)n3)cc2C1
CN1Cc2ccc(Nc3ncc(C#N)c(Nc4cccc(N=S(C)(C)=O)n4)n3)cc2C1
CN(C)C1Cc2ccc(Nc3ncc(C#N)c(Nc4cccc(N=S(C)(C)=O)n4)n3)cc2C1
CN1CCN(CC1)c1ccc(Nc2ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n2)cc1
CN1CCC(CC1)N1CCN(CC1)c1ccc(Nc2ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n2)cc1
CN1CCN(CC1)c1cccc(Nc2ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n2)c1
CN1CCc2ccc(Nc3ncc(C#N)c(Nc4cccc(c4)N=S(C)(C)=O)n3)cc2C1
CN1CCc2ccc(Nc3ncc(C#N)c(Nc4ccnc(c4)N=S(C)(C)=O)n3)cc2C1
CN1CCc2ccc(Nc3ncc(C#N)c(Nc4cncc(c4)N=S(C)(C)=O)n3)cc2C1
CN1CCc2ccc(Nc3ncc(C#N)c(Nc4cc(ccn4)N=S(C)(C)=O)n3)cc2C1
CN1CCc2ccc(Nc3ncc(C#N)c(Nc4cncc(N=S(C)(C)=O)n4)n3)cc2C1
CN1CCc2ccc(Nc3ncc(C#N)c(Nc4ccnc(N=S(C)(C)=O)n4)n3)cc2C1
CN1CCc2ccc(Nc3ncc(C#N)c(Nc4nccc(N=S(C)(C)=O)n4)n3)cc2C1
CN1CCc2ccc(Nc3ncc(C#N)c(Nc4cc5ccccc5c(N=S(C)(C)=O)n4)n3)cc2C1
CN1CCc2ccc(Nc3ncc(C#N)c(Nc4nc(cc5ccccc45)N=S(C)(C)=O)n3)cc2C1
CN1CCc2c(C)cc(Nc3ncc(C#N)c(Nc4ccc(F)c(N=S(C)(C)=O)n4)n3)cc2C1
CN1CCc2c(C)cc(Nc3ncc(C#N)c(Nc4cc(F)cc(N=S(C)(C)=O)n4)n3)cc2C1
CN1CCc2c(C)cc(Nc3ncc(C#N)c(Nc4nc(ccc4F)N=S(C)(C)=O)n3)cc2C1
CN1CCc2ccc(Nc3ncc(C#N)c(n3)-n3ccc4c(cccc34)N=S(C)(C)=O)cc2C1
CN1CCc2ccc(Nc3ncc(C#N)c(n3)N3CCc4c3cccc4N=S(C)(C)=O)cc2C1
CN1CCc2ccc(Nc3ncc(C#N)c(n3)-c3c[nH]c4c(cccc34)N=S(C)(C)=O)cc2C1
CN1CCc2ccc(Nc3ncc(C#N)c(n3)-c3cn(C)c4c(cccc34)N=S(C)(C)=O)cc2C1
CN1CCc2ccc(Nc3ncc(C#N)c(n3)-n3cnc4c(cccc34)N=S(C)(C)=O)cc2C1
CN1CCc2ccc(Nc3ncc(C#N)c(Nc4nc(cc5[nH]ccc45)N=S(C)(C)=O)n3)cc2C1
CN1CCc2ccc(Nc3ncc(C#N)c(Nc4nc(cc5NCCc45)N=S(C)(C)=O)n3)cc2C1
CN1CCc2ccc(Nc3ncc(C#N)c(Nc4cc5CCCc5c(N=S(C)(C)=O)n4)n3)cc2C1
COc1ccc(Nc2nc(Nc3ccc4CCN(C)Cc4c3)ncc2C#N)nc1N=S(C)(C)=O
CN1CCc2ccc(Nc3ncc(C#N)c(Nc4cc(C=C)cc(N=S(C)(C)=O)n4)n3)cc2C1
CN1CCc2c(C1)cc(Nc1ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n1)cc2C(C)(C)C
CC(C)Cc1cc(Nc2ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n2)cc2CN(C)CCc12
CN1CCc2c(C)cc(Nc3ncc(C#N)c(Nc4ccc5CS(C)(=O)=Nc5n4)n3)cc2C1
CCc1cc(Nc2ncc(C#N)c(Nc3ccc(F)c(N=S(C)(C)=O)n3)n2)cc2CN(C)CCc12
COc1cc(Nc2ncc(C#N)c(Nc3ccc(F)c(N=S(C)(C)=O)n3)n2)cc2CN(C)CCc12
CC(C)c1cc(Nc2ncc(C#N)c(Nc3ccc(F)c(N=S(C)(C)=O)n3)n2)cc2CN(C)CCc12
CCOc1cc(Nc2ncc(C#N)c(Nc3ccc(F)c(N=S(C)(C)=O)n3)n2)cc2CN(C)CCc12
CC(C)Oc1cc(Nc2ncc(C#N)c(Nc3ccc(F)c(N=S(C)(C)=O)n3)n2)cc2CN(C)CCc12
CN1CCc2c(C1)cc(Nc1ncc(C#N)c(Nc3ccc(F)c(N=S(C)(C)=O)n3)n1)cc2C1CC1
CN1CCc2c(C1)cc(Nc1ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n1)cc2N1CCC1
CN1CCc2c(C1)cc(Nc1ncc(C#N)c(Nc3ccc(F)c(N=S(C)(C)=O)n3)n1)cc2N1CCC1
CN1CCc2c(C1)cc(Nc1ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n1)cc2C1CCC1
CN1CCc2c(C1)cc(Nc1ncc(C#N)c(Nc3ccc(F)c(N=S(C)(C)=O)n3)n1)cc2C1CCC1
CN1CCc2c(C1)cc(Nc1ncc(C#N)c(Nc3ccc(F)c(N=S(C)(C)=O)n3)n1)cc2C1CCCC1
CN1CCc2c(C1)cc(Nc1ncc(C#N)c(Nc3ccc(F)c(N=S(C)(C)=O)n3)n1)cc2C1=CCCC1 |t:37|
CN1CCc2c(C1)cc(Nc1ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n1)cc2C1(C)CC1
CN1CCc2c(C1)cc(Nc1ncc(C#N)c(Nc3ccc(F)c(N=S(C)(C)=O)n3)n1)cc2C1(C)CC1
CN1CCc2ccc(Nc3ncc(C#N)c(Nc4cccc(N=S(C)(C)=O)n4)n3)cc2C11CC1
CN1CCc2ccc(Nc3ncc(C#N)c(Nc4cccc(N=S(C)(C)=O)n4)n3)cc2C1(C)C
CN1CCc2ccc(Nc3ncc(I)c(Nc4cccc(N=S(C)(C)=O)n4)n3)cc2C1
CN1CCc2ccc(Nc3ncc(C#N)c(Oc4cccc(N=S(C)(C)=O)n4)n3)cc2C1
CN1CCc2ccc(Nc3ncc(C#C)c(Nc4cccc(N=S(C)(C)=O)n4)n3)cc2C1
CN1CCc2ccc(Nc3ncc(-c4ccc(F)nc4)c(Nc4cccc(N=S(C)(C)=O)n4)n3)cc2C1
CN1CCc2c(C1)cc(Nc1ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n1)cc2-c1ccccc1
CN1CCc2c(C1)cc(Nc1ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n1)cc2-c1cc[nH]n1
CN1CCc2c(C1)cc(Nc1ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n1)cc2-c1ccn(C)n1
CN1CCc2c(C1)cc(Nc1ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n1)cc2-c1ccoc1
CN1CCc2c(C1)cc(Nc1ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n1)cc2N1CCCCC1
CN1CCc2c(C1)cc(Nc1ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n1)cc2N1CCOCC1
CN1CCc2c(C1)cc(Nc1ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n1)cc2C1CCOCC1
CN1CCc2c(C1)cc(Nc1ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n1)cc2C1=CCOCC1 |t:36|
CN1CCN(CC1)c1cc(Nc2ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n2)cc2CN(C)CCc12
COC1CCN(CC1)c1cc(Nc2ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n2)cc2CN(C)CCc12
CN1CCc2c(CN3CCOCC3)cc(Nc3ncc(C#N)c(Nc4cccc(N=S(C)(C)=O)n4)n3)cc2C1
C[C@@H]1CN(C[C@@H](C)O1)c1cc(Nc2ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n2)cc2CN(C)CCc12 |r|
CC1CN(CCO1)c1cc(Nc2ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n2)cc2CN(C)CCc12
COCc1cc(Nc2ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n2)cc2CN(C)CCc12
CN1CCc2c(CC3CCC3)cc(Nc3ncc(C#N)c(Nc4cccc(N=S(C)(C)=O)n4)n3)cc2C1
CN1CCc2c(C1)cc(Nc1ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n1)cc2-c1ccncc1
C[C@H]1CN(C[C@@H](C)O1)c1cc(Nc2ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n2)cc2CN(C)CCc12 |r|
COCCCc1cc(Nc2ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n2)cc2CN(C)CCc12
COC\C=C\c1cc(Nc2ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n2)cc2CN(C)CCc12
CN(C)Cc1cc(Nc2ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n2)cc2CN(C)CCc12
CN1CCc2c(CO)cc(Nc3ncc(C#N)c(Nc4cccc(N=S(C)(C)=O)n4)n3)cc2C1
CN1CCc2c(CCO)cc(Nc3ncc(C#N)c(Nc4cccc(N=S(C)(C)=O)n4)n3)cc2C1
CN1CCc2c(CCCO)cc(Nc3ncc(C)c(Nc4cccc(N=S(C)(C)=O)n4)n3)cc2C1
CN1CCc2c(CN)cc(Nc3ncc(C#N)c(Nc4cccc(N=S(C)(C)=O)n4)n3)cc2C1
CN1CCc2c(CCN)cc(Nc3ncc(C#N)c(Nc4cccc(N=S(C)(C)=O)n4)n3)cc2C1
CN1CCc2c(CCCN)cc(Nc3ncc(C#N)c(Nc4cccc(N=S(C)(C)=O)n4)n3)cc2C1
CCN1CCc2c(C1)cc(Nc1ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n1)cc2C1CC1
CN1CCc2c(C1)cc(Nc1ncc(C#N)c(Nc3cncc(N=S(C)(C)=O)n3)n1)cc2C1CC1
CN1CCc2c(C1)cc(Nc1ncc(C#N)c(Nc3nccc(N=S(C)(C)=O)n3)n1)cc2C1CC1
CN1CCc2c(C1)cc(Nc1ncc(C#N)c(Nc3ccnc(N=S(C)(C)=O)n3)n1)cc2C1CC1
CCN1CCc2c(CC)cc(Nc3ncc(C#N)c(Nc4cccc(N=S(C)(C)=O)n4)n3)cc2C1
CCc1cc(Nc2ncc(C#N)c(Nc3cncc(N=S(C)(C)=O)n3)n2)cc2CN(C)CCc12
CCc1cc(Nc2ncc(C#N)c(Nc3nccc(N=S(C)(C)=O)n3)n2)cc2CN(C)CCc12
CCc1cc(Nc2ncc(C#N)c(Nc3ccnc(N=S(C)(C)=O)n3)n2)cc2CN(C)CCc12
CN1CCc2ccc(Nc3nccc(Nc4cccc(N=S(C)(C)=O)n4)n3)cc2C1
CS(C)(=O)=Nc1cccc(Nc2nc(Nc3ccc4CCC(CCc4c3)N3CCCC3)ncc2C#N)n1
COc1cc2CCN(C)Cc2cc1Nc1ncc(C#N)c(Nc2cccc(N=S(C)(C)=O)n2)n1
CS(C)(=O)=Nc1cccc(Nc2nc(Nc3cc4CNCCc4c(c3)C3CC3)ncc2C#N)n1
CCCc1cc(Nc2ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n2)cc2CN(C)CCc12
CN1CCc2c(C1)cc(Nc1ncc(C#N)c(Nc3ccccc3N=S(C)(C)=O)n1)cc2C1CC1
CCc1cc(Nc2ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n2)cc2CNCCc12
CN1CCc2c(C1)cc(Nc1ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n1)cc2C1=CCCCC1 |t:36|
CN1CCN(CC1)c1ccc(Nc2ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n2)cc1C
CN1CCN(CC1)c1c(C)cc(Nc2ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n2)cc1C
CN1CCN(CC1)c1ccc(Nc2ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n2)cc1C1CC1
CN1CCN(CC1)c1c(C)cc(Nc2ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n2)cc1C1CC1
CCc1cc(Nc2ncc(C#N)c(Nc3cccc(N=S(C)(=O)CC)n3)n2)cc2CN(C)CCc12
CCc1cc(Nc2ncc(C#N)c(Nc3cccc(N=S(=O)(CC)CC)n3)n2)cc2CN(C)CCc12
CCc1cc(Nc2ncc(C#N)c(Nc3cccc(N=S4(=O)CCC4)n3)n2)cc2CN(C)CCc12
CCc1cc(Nc2ncc(C#N)c(Nc3cccc(N=S4(=O)CCCC4)n3)n2)cc2CN(C)CCc12
CN1CC2CCCc3cc(Nc4ncc5c(F)cn(-c6cccc(N=S(C)(C)=O)n6)c5n4)cc(C1)c23
CCS(=O)(CC)=Nc1cccc(n1)-n1cc(F)c2cnc(Nc3cc4CCCC5CN(C)Cc(c3)c45)nc12
CN1CC2CCCc3cc(Nc4ncc5c(F)cn(-c6cccc(N=S7(=O)CCC7)n6)c5n4)cc(C1)c23
CN1CC2CCCc3cc(Nc4ncc5c(F)cn(-c6cccc(N=S7(=O)CCCC7)n6)c5n4)cc(C1)c23
CN1CC2CCCc3cc(Nc4ncc5c(F)cn(-c6cccc(N=S7(=O)CCOCC7)n6)c5n4)cc(C1)c23
CN1CC2CCCc3cc(Nc4ncc5c(F)cn(-c6cccc(n6)P(C)(C)=O)c5n4)cc(C1)c23
CN1CC2CCCc3cc(Nc4ncc5c(F)cn(-c6cccc(c6)N=S(C)(C)=O)c5n4)cc(C1)c23
CN1CC2CCCc3cc(Nc4ncc5c(F)cn(-c6ccc(F)c(N=S(C)(C)=O)n6)c5n4)cc(C1)c23
CN1CC2CCCc3cc(Nc4ncc5c(F)cn(-c6ccc(Cl)c(N=S(C)(C)=O)n6)c5n4)cc(C1)c23
CCN1CC2CCCc3cc(Nc4ncc5c(C)cn(-c6cccc(N=S(C)(C)=O)n6)c5n4)cc(C1)c23
CN1C[C@H]2CCCc3cc(Nc4ncc5c(F)cn(-c6ccc(F)c(N=S(C)(C)=O)n6)c5n4)cc(C1)c23 |r|
CN1C[C@H]2CCCc3cc(Nc4ncc5c(F)cn(-c6cccc(N=S(C)(C)=O)n6)c5n4)cc(C1)c23 |r|
C=CCn1c(=O)c2cnc(N)nc2n1-c1cccc(C(C)(C)O)n1
C=CCn1c(=O)c2cnc(Nc3ccccc3)nc2n1-c1cccc(C(C)(C)O)n1
C=CCn1c(=O)c2cnc(NCc3ccc(CC)cc3)nc2n1-c1cccc(C(C)(C)O)n1
CN(C)c1cccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)c1
C=CCn1c(=O)c2cnc(Nc3cccc(C#N)c3)nc2n1-c1cccc(C(C)(C)O)n1
C=CCn1c(=O)c2cnc(Nc3cccc(CN(C)C)c3)nc2n1-c1cccc(C(C)(C)O)n1
C=CCn1c(=O)c2cnc(Nc3cccc(C(=O)N(C)C)c3)nc2n1-c1cccc(C(C)(C)O)n1
CN(C)CCc1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)cc1
CN(C)CCOc1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)cc1
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(C)c3=O)cc1
COc1ccc(Cn2c(=O)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc3n2-c2cccc(C(C)(C)O)n2)cc1
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n([nH]c3=O)-c2cccc(n2)C(C)(C)O)cc1
C=C(C)c1cccc(-n2c3nc(Nc4ccc(N5CCN(C)CC5)cc4)ncc3c(=O)n2C)n1
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(c2)C(C)(C)O)n(CC=C)c3=O)cc1
C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(CO)c1
Cc1ccc(O)c(C)c1-n1c(N)c2c3c(c(C)cnc31)CCNC2=O
Cc1ccc(O)c(C)c1-n1c(N)c2c3c(c(C)ncc31)CCNC2=O
Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3ncnc3C2)c2nc(C)c(C)nc21
Cc1ccc(O)c(C)c1n5c(N)c(C(=O)N3CCn2nc(C(F)(F)F)nc2C3)c4nc(C)c(C)nc45
Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3cnnc3C2)c2nc(C)c(C)nc21
Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3nccc3C2)c2nc(C)c(C)nc21
Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCc3ncsc3C2)c2nc(C)c(C)nc21
Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCc3nn(C)cc3C2)c2nc(C)c(C)nc21
Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCc3ncccc3C2)c2nc(C)c(C)nc21
Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3nccc3C2)c2cc(Cl)cnc21
Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCc3ncsc3C2)c2cc(Cl)cnc21
Cc1nc2n(n1)CCN(C(=O)c1c(N)n(-c3c(C)ccc(O)c3C)c3ncc(Cl)cc13)C2
Cc1cc2n(n1)CCN(C(=O)c1c(N)n(-c3c(C)ccc(O)c3C)c3ncc(Cl)cc13)C2
Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3nc(C(F)(F)F)nc3C2)c2cc(Cl)cnc21
Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3ncc(Cl)c3C2)c2nc(C)c(C)nc21
N#Cc1cnn2c1CN(C(=O)c1c(N)n(-c3c(C)ccc(O)c3C)c3nc(C)c(C)nc13)CC2
Cc1ccc(O)c(C)c1n5c(N)c(C(=O)N3CCn2ncc(C(F)(F)F)c2C3)c4nc(C)c(C)nc45
Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3ncc(CO)c3C2)c2nc(C)c(C)nc21
Cc1cc2n(n1)CCN(C(=O)c1c(N)n(-c3c(C)ccc(O)c3C)c3nc(C)c(C)nc13)C2
Cc1ccc(O)c(C)c1n5c(N)c(C(=O)N3CCn2nc(C(F)(F)F)cc2C3)c4nc(C)c(C)nc45
Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3nc(C(C)(C)O)cc3C2)c2nc(C)c(C)nc21
Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCc3noc(C)c3C2)c2nc(C)c(C)nc21
Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3c(cccc3=O)C2)c2nc(C)c(C)nc21
Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3ccnc3C2)c2nc(C)c(C)nc21
Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3cncc3C2)c2nc(C)c(C)nc21
Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3c(cnc3C(C)(C)O)C2)c2nc(C)c(C)nc21
Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCc3nccnc3C2)c2nc(C)c(C)nc21
Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3nccc3C2C)c2nc(C)c(C)nc21
Cc1ccc(O)c(C)c1n5c(N)c(C(=O)N2CCn3c(C2)nnc3C(F)(F)F)c4cc(Cl)cnc45
Cc1ccc(O)c(Cl)c1-n1c(N)c(C(=O)N2CCn3nccc3C2)c2nc(C)c(C)nc21
Cc1cc(F)c(O)c(C)c1-n1c(N)c(C(=O)N2CCn3nccc3C2)c2nc(C)c(C)nc21
Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3nccc3C2)c2nc(C3CC3)c(C)nc21
Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3nccc3C2)c2nc(C3CC3)c(C)nc21
Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3nccc3C2)c2nc(C3CC3)cnc21
C=Cc1cnc2c(n1)c(C(=O)N1CCn3nccc3C1)c(N)n2-c1c(C)ccc(O)c1C
Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3nccc3C2)c2nc(C3=CCOCC3)c(C)nc21
Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3nccc3C2)c2nc(C)c(C3CCN(C)CC3)nc21
Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3nccc3C2)c2ncc(C(F)(F)F)nc21
Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3nccc3C2)c2nc(C)c(N3CCC[C@@H](O)C3)nc21
Cc1ccc(O)c(C)c1n5c(N)c(C(=O)N3CCn2nccc2C3)c4nc(C(F)(F)F)ncc45
Cc1ncc2c(C(=O)N3CCn4ncnc4C3)c(N)n(-c3c(C)ccc(O)c3C)c2n1
Cc1ccc(O)c(C)c1-n1nc(-c2nccs2)c(C(N)=O)c1N
Cc1ccc(O)c(C)c1-n1nc(-c2nccs2)c(C(N)=O)c1N
Cc1ccc(O)c(C)c1n3nc(c2nc(C(F)(F)F)cs2)c(C(N)=O)c3N
Cc1c(O)ccc(Cl)c1-n1nc(-c2nccs2)c(C(N)=O)c1N
Cc1c(O)ccc(Cl)c1-n1nc(-c2nc3cnccc3s2)c(C(N)=O)c1N
Cc1ccc(O)c(C)c1-n1nc(-c2ccn(CC(C)(C)O)n2)c(C(N)=O)c1N
Cc1ccc(O)c(C)c1-n1nc(-c2ccn(C(F)F)n2)c(C(N)=O)c1N
Cc1ccc(O)c(C)c1n3nc(c2ccc(C(F)(F)F)cn2)c(C(N)=O)c3N
C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C(=O)c5cc(Cc6n[nH]c(=O)c7ccccc67)ccc5F)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)c1
C=CCn1c(=O)c2cnc(N3CCN(C(=O)c4cc(Cc5n[nH]c(=O)c6ccccc56)ccc4F)CC3)nc2n1-c1cccc(C(C)(C)O)n1
Cn1c(=O)c2cnc(Nc3ccc(N4CCN(C(=O)c5cc(Cc6n[nH]c(=O)c7ccccc67)ccc5F)CC4)cc3)nc2n1-c1ccccn1
C=CCn1c(=O)c2cnc(NC3CCN(C(=O)c4cc(Cc5n[nH]c(=O)c6ccccc56)ccc4F)CC3)nc2n1-c1cccc(C(C)(C)O)n1
Cn1c(=O)c2cnc(N3CCN(C(=O)c4cc(Cc5n[nH]c(=O)c6ccccc56)ccc4F)CC3)nc2n1-c1ccccn1
C=CCn1c(=O)c2cnc(NCCNC(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)nc2n1-c1cccc(C(C)(C)O)n1
C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(Cc5ccc(-c6[nH]c7cc(F)cc8c7c6CCNC8=O)cc5)CC4)cc3)nc2n1-c1ccccn1
Cn1c(=O)c2cnc(Nc3ccc(N4CCN(C(=O)c5cc(Cc6n[nH]c(=O)c7ccccc67)ccc5F)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1
C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C(=O)c5cc(Cn6c(=O)[nH]c(=O)c7c(F)cccc76)ccc5F)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1
Cn1c(=O)c2cnc(Nc3ccc(N4CCCC(c5nc6cccc(C(N)=O)c6[nH]5)C4)cc3)nc2n1-c1ccccn1
C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C(=O)c5cc(Cn6c(=O)[nH]c(=O)c7c(F)cccc76)ccc5F)CC4)cc3)nc2n1-c1ccccn1
C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(Cc5cc(Cn6c(=O)[nH]c(=O)c7c(F)cccc76)ccc5F)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1
Cn1c(=O)c2cnc(Nc3ccc(N4CCN(Cc5cc(Cc6n[nH]c(=O)c7ccccc67)ccc5F)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1
C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C(=O)c5cc(Cc6n[nH]c(=O)c7ccccc67)ccc5F)CC4)cc3)nc2n1-c1ccccn1
Cn1c(=O)c2cnc(Nc3ccc(N4CCC(n5cc6cccc(C(N)=O)c6n5)CC4)cc3)nc2n1-c1ccccn1
Cn1c(=O)c2cnc(Nc3ccc(N4CCN(C(=O)c5cc(Cn6c(=O)[nH]c(=O)c7c(F)cccc76)ccc5F)CC4)cc3)nc2n1-c1ccccn1
Cn1c(=O)c2cnc(Nc3ccc(N4CCC(c5nc6cccc(C(N)=O)c6[nH]5)CC4)cc3)nc2n1-c1ccccn1
C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(Cc5ccc(-c6[nH]c7cc(F)cc8c7c6CCNC8=O)cc5)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1
Cn1c(=O)c2cnc(Nc3ccc(N4CCN(C(=O)c5cc(Cc6n[nH]c(=O)c7ccccc67)ccc5F)CC4)cc3)nc2n1-c1ncccn1
Cn1c(=O)c2cnc(Nc3ccc(NC(=O)c4cc(Cn5c(=O)[nH]c(=O)c6c(F)cccc65)ccc4F)cc3)nc2n1-c1ccccn1
Cn1c(=O)c2cnc(Nc3ccc(N4CCN(C(=O)c5cc(Cn6c(=O)[nH]c(=O)c7c(F)cccc76)ccc5F)CC4)cc3)nc2n1-c1ncccn1
Cn1c2nc(Nc3ccc(N4CCN(C(=O)c5cc(Cc6n[nH]c(=O)c7ccccc67)ccc5F)CC4)cc3)ncc2c(=O)n1-c1ccccn1
Cn1c2nc(Nc3ccc(N4CCN(C(=O)c5cc(Cn6c(=O)[nH]c(=O)c7c(F)cccc76)ccc5F)CC4)cc3)ncc2c(=O)n1-c1ccccn1
C=CCn1c(=O)c2cnc(NC3CCN(Cc4ccc(-c5[nH]c6cc(F)cc7c6c5CCNC7=O)cc4)CC3)nc2n1-c1cccc(C(C)(C)O)n1
C=CCNC(=O)c1cnc(N2CCN(Cc3ccc(-c4[nH]c5cc(F)cc6c5c4CCNC6=O)cc3)CC2)nc1Nc1cccc(C(C)(C)O)n1
Cn1c(=O)c2cnc(Nc3ccc(N4CCN(Cc5ccc(-c6[nH]c7cc(F)cc8c7c6CCNC8=O)cc5)CC4)cc3)nc2n1-c1ccccn1
Cn1c(=O)c2cnc(Nc3ccc(N4CCN(Cc5ccc(-c6[nH]c7cc(F)cc8c7c6CCNC8=O)cc5)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1
COCCn1c(=O)c2cnc(Nc3ccc(N4CCN(Cc5ccc(-c6[nH]c7cc(F)cc8c7c6CCNC8=O)cc5)CC4)cc3)nc2n1-c1ccccn1
COCCn1c(=O)c2cnc(Nc3ccc(N4CCN(C(=O)c5cc(Cc6n[nH]c(=O)c7ccccc67)ccc5F)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1
C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(Cc5cc(Cc6n[nH]c(=O)c7ccccc67)ccc5F)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1
COCCn1c(=O)c2cnc(Nc3ccc(N4CCN(C(=O)c5cc(Cc6n[nH]c(=O)c7ccccc67)ccc5F)CC4)cc3)nc2n1-c1ccccn1
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(c2ccc(Nc3ncc4c(=O)n(CCO)n(-c5ccccn5)c4n3)cc2)CC1
Cn1c2nc(Nc3ccc(N4CCCC(c5nc6cccc(C(N)=O)c6[nH]5)C4)cc3)ncc2c(=O)n1-c1ccccn1
Cn1c2nc(Nc3ccc(N4CCC(n5cc6cccc(C(N)=O)c6n5)CC4)cc3)ncc2c(=O)n1-c1ccccn1
Cn1c2nc(Nc3ccc(N4CCC(c5nc6cccc(C(N)=O)c6[nH]5)CC4)cc3)ncc2c(=O)n1-c1ccccn1
CCN(CC)CCOc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)C(=C3)c4c(cccc4Cl)Cl)C
CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc-21
CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC
[H][C@]12CC[C@]([H])(N1C(=O)CNC(C)=O)c1cc(Nc3ncc(c(NC4CCC4)n3)C(F)(F)F)ccc21 |r,TLB:7:6:35.14:3.2|
CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(c(c4)Cl)OC)Cl
Cc1ccc(CNc2nc(N)nc3[nH]c4cc(C)c(O)cc4c23)cc1
CN(CCc1ccc(cc1)-c1ccccc1)Cc1cn(C)c2ccc(cc12)C(=O)Nc1ccc(F)cc1
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CN(C)CCn1cc(-c2c(Cl)cccc2Cl)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12 |(20.63,-22.09,;19.3,-21.3,;19.32,-19.76,;17.96,-22.06,;16.63,-21.27,;16.65,-19.73,;18.04,-18.98,;17.99,-17.43,;19.32,-16.64,;19.28,-15.11,;17.93,-14.37,;20.6,-14.32,;21.95,-15.07,;21.97,-16.61,;20.65,-17.4,;20.67,-18.94,;16.66,-16.65,;16.66,-15.11,;15.33,-17.43,;13.98,-16.66,;12.66,-17.43,;12.66,-18.97,;11.33,-19.74,;10,-18.97,;8.66,-19.73,;7.34,-18.97,;7.34,-17.43,;8.66,-16.66,;9.99,-17.43,;6,-16.65,;6.01,-15.11,;4.69,-14.33,;3.34,-15.09,;2.01,-14.31,;3.33,-16.64,;4.67,-17.42,;13.99,-19.74,;15.32,-18.97,)|
CN1Cc2cc(Nc3ncc4c(n3)c(CO)cn(-c3c(Cl)cccc3Cl)c4=O)ccc2C2(CC2)C1 |(6.36,-54.94,;7.7,-54.17,;9.03,-54.94,;10.35,-54.17,;11.68,-54.94,;13.01,-54.17,;14.35,-54.94,;15.68,-54.17,;15.67,-52.64,;17,-51.86,;18.35,-52.63,;18.34,-54.17,;17.01,-54.94,;19.67,-54.94,;19.65,-56.48,;18.31,-57.23,;21.07,-54.18,;21.02,-52.64,;22.34,-51.85,;22.31,-50.31,;20.96,-49.57,;23.62,-49.52,;24.98,-50.27,;25,-51.82,;23.68,-52.6,;23.69,-54.14,;19.68,-51.86,;19.68,-50.32,;13.01,-52.63,;11.68,-51.87,;10.35,-52.63,;9.03,-51.86,;8.25,-50.52,;9.8,-50.52,;7.7,-52.63,)|
CN1Cc2cc(Nc3ncc4c(n3)n(cc(-c3c(Cl)cccc3Cl)c4=O)C3CC3)ccc2C2(CC2)C1 |(5.84,-44.42,;7.17,-43.65,;8.5,-44.42,;9.83,-43.65,;11.16,-44.42,;12.49,-43.65,;13.82,-44.42,;15.16,-43.65,;15.15,-42.12,;16.48,-41.34,;17.82,-42.11,;17.82,-43.65,;16.49,-44.42,;19.15,-44.41,;20.54,-43.66,;20.49,-42.12,;21.81,-41.33,;21.78,-39.79,;20.43,-39.05,;23.09,-39,;24.45,-39.75,;24.47,-41.29,;23.15,-42.08,;23.16,-43.62,;19.15,-41.34,;19.15,-39.8,;19.13,-45.96,;18.35,-47.28,;19.89,-47.3,;12.48,-42.11,;11.15,-41.35,;9.83,-42.11,;8.5,-41.34,;7.73,-40,;9.27,-40,;7.17,-42.11,)|
CN1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3c(F)cccc3Cl)c4=O)ccc2C(C)(C)C1 |(16.1,-31.75,;14.78,-30.97,;14.79,-29.43,;13.45,-28.67,;13.45,-27.13,;12.12,-26.36,;12.13,-24.82,;10.79,-24.05,;10.79,-22.5,;9.46,-21.73,;8.13,-22.5,;8.12,-24.04,;9.45,-24.81,;6.79,-24.8,;6.47,-26.3,;4.95,-26.45,;4.34,-25.05,;5.47,-24.04,;5.47,-22.49,;4.14,-21.72,;2.8,-22.49,;2.8,-24.03,;1.47,-21.72,;1.47,-20.17,;2.8,-19.41,;4.14,-20.17,;5.46,-19.4,;6.79,-21.72,;6.8,-20.18,;10.78,-27.13,;10.78,-28.67,;12.12,-29.43,;12.11,-30.96,;11.01,-32.05,;10.62,-30.55,;13.44,-31.74,)|
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(cc(-c2c(Cl)cccc2Cl)c3=O)C2CC2)cc1 |(45.73,-3.07,;47.06,-3.85,;48.41,-3.09,;49.73,-3.87,;49.73,-5.41,;48.39,-6.18,;47.05,-5.4,;51.06,-6.19,;51.06,-7.73,;52.39,-8.5,;53.72,-7.73,;55.05,-8.5,;56.38,-7.73,;56.38,-6.19,;57.7,-5.42,;59.05,-6.19,;59.04,-7.73,;57.72,-8.5,;60.37,-8.49,;61.77,-7.74,;61.71,-6.19,;63.04,-5.4,;63,-3.87,;61.65,-3.13,;64.32,-3.08,;65.67,-3.83,;65.69,-5.37,;64.37,-6.16,;64.39,-7.7,;60.38,-5.41,;60.38,-3.87,;60.35,-10.03,;59.58,-11.36,;61.12,-11.38,;53.71,-6.19,;52.38,-5.43,)|
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(cc(-c2c(Cl)cccc2Cl)c3=O)C2COC2)cc1 |(68.83,-3.52,;70.16,-4.3,;71.5,-3.54,;72.83,-4.32,;72.82,-5.87,;71.48,-6.64,;70.15,-5.85,;74.16,-6.64,;74.16,-8.18,;75.48,-8.95,;76.81,-8.18,;78.15,-8.95,;79.48,-8.18,;79.47,-6.65,;80.8,-5.87,;82.15,-6.64,;82.14,-8.19,;80.81,-8.95,;83.47,-8.95,;84.87,-8.19,;84.81,-6.65,;86.14,-5.86,;86.1,-4.33,;84.76,-3.58,;87.42,-3.53,;88.78,-4.28,;88.8,-5.83,;87.47,-6.61,;87.49,-8.16,;83.48,-5.87,;83.48,-4.33,;83.45,-10.49,;82.35,-11.56,;83.43,-12.66,;84.53,-11.58,;76.81,-6.64,;75.48,-5.88,)|
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(CC(C)(C)O)cc(-c2c(Cl)cccc2Cl)c3=O)cc1 |(26.21,-15.3,;27.53,-16.08,;28.88,-15.32,;30.21,-16.1,;30.2,-17.64,;28.86,-18.41,;27.53,-17.63,;31.54,-18.42,;31.53,-19.96,;32.86,-20.73,;34.19,-19.96,;35.53,-20.73,;36.86,-19.96,;36.85,-18.42,;38.18,-17.65,;39.52,-18.42,;39.52,-19.96,;38.19,-20.73,;40.85,-20.72,;40.83,-22.26,;42.15,-23.04,;42.91,-21.7,;43.69,-23.03,;42.14,-24.59,;42.24,-19.97,;42.19,-18.42,;43.51,-17.64,;43.48,-16.1,;42.13,-15.36,;44.8,-15.31,;46.15,-16.06,;46.17,-17.6,;44.85,-18.39,;44.87,-19.93,;40.85,-17.65,;40.86,-16.1,;34.19,-18.42,;32.86,-17.66,)|
CN1Cc2cc(Nc3ncc4c(n3)[nH]cc(-c3c(Cl)cccc3Cl)c4=O)ccc2C2(CC2)C1 |(6.16,-33.18,;7.5,-32.41,;8.83,-33.19,;10.16,-32.42,;11.48,-33.18,;12.81,-32.42,;14.15,-33.19,;15.48,-32.41,;15.48,-30.88,;16.8,-30.11,;18.15,-30.88,;18.14,-32.42,;16.81,-33.19,;19.47,-33.18,;20.87,-32.43,;20.81,-30.88,;22.14,-30.09,;22.1,-28.56,;20.75,-27.82,;23.42,-27.77,;24.77,-28.52,;24.8,-30.06,;23.47,-30.85,;23.49,-32.39,;19.48,-30.1,;19.48,-28.56,;12.81,-30.87,;11.48,-30.11,;10.16,-30.88,;8.83,-30.11,;8.05,-28.77,;9.6,-28.77,;7.5,-30.88,)|
CN1Cc2cc(Nc3ncc4c(n3)n(C)cc(-c3c(Cl)cccc3Cl)c4=O)ccc2C2(CC2)C1 |(28.22,-32.33,;29.56,-31.56,;30.89,-32.33,;32.21,-31.56,;33.54,-32.33,;34.87,-31.56,;36.21,-32.33,;37.54,-31.56,;37.53,-30.03,;38.86,-29.25,;40.2,-30.02,;40.2,-31.56,;38.87,-32.33,;41.53,-32.33,;41.51,-33.87,;42.92,-31.57,;42.87,-30.03,;44.19,-29.24,;44.16,-27.7,;42.81,-26.96,;45.48,-26.91,;46.83,-27.66,;46.85,-29.21,;45.53,-29.99,;45.55,-31.53,;41.53,-29.25,;41.54,-27.71,;34.87,-30.02,;33.54,-29.26,;32.21,-30.02,;30.89,-29.25,;30.11,-27.91,;31.66,-27.91,;29.56,-30.02,)|
CN1Cc2cc(Nc3ncc4c(n3)c(C=C)cn(-c3c(Cl)cccc3Cl)c4=O)ccc2C2(CC2)C1 |(49.96,-42.86,;51.29,-42.09,;52.62,-42.86,;53.95,-42.09,;55.28,-42.86,;56.61,-42.09,;57.94,-42.86,;59.28,-42.09,;59.27,-40.56,;60.59,-39.78,;61.94,-40.55,;61.94,-42.09,;60.61,-42.86,;63.27,-42.86,;63.25,-44.4,;64.57,-45.18,;64.66,-42.1,;64.61,-40.56,;65.93,-39.77,;65.9,-38.24,;64.55,-37.49,;67.21,-37.44,;68.57,-38.19,;68.59,-39.74,;67.27,-40.52,;67.28,-42.06,;63.27,-39.78,;63.27,-38.24,;56.6,-40.55,;55.27,-39.79,;53.95,-40.55,;52.62,-39.78,;51.84,-38.45,;53.39,-38.44,;51.29,-40.55,)|
CN1Cc2cc(Nc3ncc4c(n3)c(cn(-c3c(Cl)cccc3Cl)c4=O)C(F)F)ccc2C2(CC2)C1 |(29.38,-54.4,;30.72,-53.63,;32.05,-54.4,;33.38,-53.63,;34.7,-54.4,;36.03,-53.63,;37.37,-54.4,;38.7,-53.63,;38.7,-52.1,;40.02,-51.32,;41.37,-52.09,;41.36,-53.63,;40.03,-54.4,;42.69,-54.4,;44.09,-53.64,;44.04,-52.1,;45.36,-51.31,;45.32,-49.77,;43.98,-49.03,;46.64,-48.98,;48,-49.73,;48.02,-51.27,;46.69,-52.06,;46.71,-53.6,;42.7,-51.32,;42.7,-49.78,;42.67,-55.94,;44,-56.72,;41.33,-56.69,;36.03,-52.09,;34.7,-51.33,;33.38,-52.09,;32.05,-51.32,;31.27,-49.98,;32.82,-49.98,;30.72,-52.09,)|
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(C)cc(-c2c(Cl)cccc2Cl)c3=O)cc1 |(23.23,-1.98,;24.56,-2.76,;25.91,-2,;27.23,-2.78,;27.23,-4.32,;25.89,-5.1,;24.55,-4.31,;28.56,-5.1,;28.56,-6.64,;29.89,-7.41,;31.22,-6.64,;32.55,-7.41,;33.89,-6.64,;33.88,-5.11,;35.2,-4.33,;36.55,-5.1,;36.54,-6.64,;35.22,-7.41,;37.87,-7.4,;37.86,-8.94,;39.27,-6.65,;39.22,-5.11,;40.54,-4.32,;40.51,-2.78,;39.16,-2.04,;41.82,-1.99,;43.18,-2.74,;43.2,-4.28,;41.87,-5.07,;41.89,-6.61,;37.88,-4.33,;37.88,-2.79,;31.21,-5.1,;29.88,-4.34,)|
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(cc(-c2c(Cl)cccc2Cl)c3=O)-c2ccccc2)cc1 |(50.25,-14.86,;51.58,-15.64,;52.93,-14.88,;54.26,-15.66,;54.25,-17.21,;52.91,-17.98,;51.57,-17.19,;55.58,-17.99,;55.58,-19.52,;56.91,-20.29,;58.24,-19.52,;59.57,-20.29,;60.91,-19.52,;60.9,-17.99,;62.23,-17.21,;63.57,-17.98,;63.57,-19.53,;62.24,-20.3,;64.9,-20.29,;66.29,-19.53,;66.24,-17.99,;67.56,-17.2,;67.53,-15.67,;66.18,-14.92,;68.84,-14.88,;70.2,-15.63,;70.22,-17.17,;68.9,-17.96,;68.92,-19.5,;64.9,-17.21,;64.9,-15.67,;64.88,-21.83,;63.53,-22.57,;63.52,-24.11,;64.84,-24.9,;66.19,-24.14,;66.2,-22.6,;58.23,-17.98,;56.91,-17.22,)|
CN1Cc2cc(Nc3ncc4c(n3)c(C)cn(-c3c(Cl)cccc3Cl)c4=O)ccc2C2(CC2)C1 |(29.1,-43.48,;30.44,-42.71,;31.77,-43.49,;33.1,-42.71,;34.43,-43.48,;35.76,-42.71,;37.09,-43.48,;38.43,-42.71,;38.42,-41.18,;39.75,-40.4,;41.09,-41.17,;41.09,-42.72,;39.76,-43.49,;42.42,-43.48,;42.4,-45.02,;43.81,-42.72,;43.76,-41.18,;45.09,-40.39,;45.05,-38.86,;43.7,-38.11,;46.37,-38.06,;47.73,-38.81,;47.75,-40.36,;46.42,-41.15,;46.44,-42.69,;42.43,-40.4,;42.43,-38.86,;35.75,-41.17,;34.42,-40.41,;33.1,-41.18,;31.77,-40.4,;30.99,-39.07,;32.54,-39.06,;30.44,-41.17,)|
CCn1cc(-c2c(Cl)cccc2Cl)c(=O)c2cnc(Nc3ccc4c(CN(C)CC44CC4)c3)nc12 |(66.21,-33.89,;64.88,-33.1,;64.9,-31.56,;66.3,-30.81,;66.25,-29.26,;67.57,-28.47,;67.53,-26.94,;66.19,-26.2,;68.85,-26.15,;70.21,-26.9,;70.23,-28.44,;68.9,-29.23,;68.92,-30.77,;64.91,-28.48,;64.91,-26.94,;63.58,-29.25,;62.23,-28.49,;60.91,-29.26,;60.91,-30.79,;59.58,-31.56,;58.25,-30.8,;58.24,-29.25,;56.91,-28.49,;55.59,-29.26,;55.59,-30.8,;54.26,-31.57,;52.93,-30.79,;51.6,-31.56,;52.93,-29.26,;54.26,-28.49,;53.48,-27.15,;55.03,-27.15,;56.91,-31.56,;62.25,-31.57,;63.57,-30.8,)|
OC(=O)CSc1ncnc2cc(sc12)-c1cc2ccccc2s1
COC(=O)N1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)cc1
CC(C)(O)c1cccc(n1)-n1cc(F)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc12
CN1CCC(CC1)NC(=O)c1ccc(Nc2ncc3ccn(-c4cccc(n4)C(C)(C)O)c3n2)cc1
CC(C)(O)c1cccc(n1)-n1cc(F)c2cnc(Nc3ccc(cc3)N3CCNC4(CC4)C3)nc12
CC(C)(O)c1cccc(n1)-n1cc(F)c2cnc(Nc3ccc(NC(=O)C4CCOCC4)cc3)nc12
CN1CCN(CC1)c1ccc(Nc2ncc3c(F)cn(-c4cccc(N=S(C)(C)=O)n4)c3n2)cc1
[H][C@@]12CN(c3ccc(Nc4ncc5c(F)cn(-c6cccc(n6)C(C)(C)O)c5n4)cc3)[C@@]([H])(CN1)C2 |r|
[H][C@]12CN(c3ccc(Nc4ncc5c(F)cn(-c6cccc(n6)C(C)(C)O)c5n4)cc3)[C@]([H])(CN1)C2 |r|
CCN1CCC(CC1)Oc1ccc(Nc2ncc3c(F)cn(-c4cccc(n4)C(C)(C)O)c3n2)cc1
CC(C)(O)c1cccc(n1)-n1cc(F)c2cnc(Nc3ccc(cc3)C(=O)NC3CCOCC3)nc12
CN1CCC(CC1)NC(=O)c1ccc(Nc2ncc3c(F)cn(-c4cccc(n4)C(C)(C)O)c3n2)cc1
CCN1CCC(CC1)NC(=O)c1ccc(Nc2ncc3c(F)cn(-c4cccc(n4)C(C)(C)O)c3n2)cc1
CN1CCN(CC1)c1ccc(Nc2ncc3c(F)cn(-c4cccc(n4)C4(F)COC4)c3n2)cc1
Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1Cl |r|
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)c(C)cn(-c2c(Cl)cccc2Cl)c3=O)cc1 |(28.51,-2.72,;29.85,-3.48,;29.85,-5.02,;31.18,-5.79,;32.51,-5.02,;32.51,-3.48,;31.18,-2.7,;33.85,-5.8,;33.84,-7.34,;35.17,-8.11,;36.51,-7.34,;37.84,-8.11,;39.18,-7.34,;39.17,-5.81,;40.5,-5.03,;41.84,-5.8,;41.85,-7.35,;40.51,-8.11,;43.18,-8.11,;43.19,-9.65,;44.52,-7.33,;44.51,-5.78,;45.83,-5.01,;45.81,-3.48,;44.47,-2.73,;47.13,-2.7,;48.47,-3.45,;48.48,-4.99,;47.16,-5.77,;47.17,-7.3,;43.17,-5.03,;43.15,-3.49,;36.51,-5.79,;35.18,-5.02,)|
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2ccc4CCC(F)(F)c4n2)n(CC=C)c3=O)cc1
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2ccc4CCC(O)c4n2)n(CC=C)c3=O)cc1
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2ccc4CC[C@@](C)(O)c4n2)n(CC=C)c3=O)cc1 |r|
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2ccc4CC[C@](C)(O)c4n2)n(CC=C)c3=O)cc1 |r|
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2ccc4CC[C@](O)(c4n2)C(F)(F)F)n(CC=C)c3=O)cc1 |r|
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2ccc4CC[C@](O)(C(F)F)c4n2)n(CC=C)c3=O)cc1 |r|
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2ccc4OC[C@](C)(O)c4n2)n(CC=C)c3=O)cc1 |r|
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2ccc4CC[C@](C)(O)c4c2)n(CC=C)c3=O)cc1 |r|
CCC1(O)CCc2ccc(nc12)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2ccc4CC[C@@](O)(C5CC5)c4n2)n(CC=C)c3=O)cc1 |r|
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2ccc4CCC[C@@](C)(O)c4n2)n(CC=C)c3=O)cc1 |r|
CC[C@@]1(O)CCCc2ccc(nc12)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12 |r|
CC[C@@]1(N)CCc2ccc(nc12)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12 |r|
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2ccc4CC[C@@](C)(O)c4n2)n(CC=C)c3=O)cc1C |r|
CC[C@@]1(O)CCc2ccc(nc12)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)c(C)c3)nc12 |r|
CC[C@@]1(O)CCc2ccc(nc12)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc12 |r|
CC[C@@]1(O)CCc2ccc(nc12)-n1n(CC=C)c(=O)c2cnc(Nc3ccc4n(ccc4c3)C3CCN(C)CC3)nc12 |r|
CC[C@@]1(O)CCc2ccc(nc12)-n1n(CC=C)c(=O)c2cnc(Nc3cc(N4CCN(C)CC4)c4ccn(C)c4c3)nc12 |r|
CC[C@@]1(O)CCc2ccc(nc12)-n1n(CC=C)c(=O)c2cnc(Nc3cccc(c3)N3CCN(C)CC3)nc12 |r|
O[C@@]1(CCc2ccc(nc12)-n1n(CC=C)c(=O)c2cnc(Nc3ccc4c(CNCC44CC4)c3)nc12)C(F)(F)F |r|
[#6]-[#6][C@@]1([#8])[#6]-[#6]-c2ccc(nc12)-n1n(-[#6]\[#6]=[#6](/F)F)c(=O)c2cnc(-[#7]-c3ccc(cc3)-[#7]-3-[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-3)nc12 |r|
CC[C@@]1(O)CCc2ccc(nc12)-n1n(c(=O)c2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12)C(F)(F)C=C |r|
CC[C@@]1(O)CCc2ccc(nc12)-n1n(CC2CC2)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12 |r|
CN(C)C(=O)c1ccc(Nc2ncc(c(N[C@@H]3CC[C@H](N)CC3)n2)C(F)(F)F)cc1 |r,wU:16.15,19.19,(85.12,-20.14,;83.79,-20.91,;83.79,-22.45,;82.45,-20.15,;82.45,-18.61,;81.12,-20.92,;81.12,-22.46,;79.79,-23.23,;78.46,-22.46,;77.13,-23.24,;75.79,-22.47,;74.46,-23.24,;73.12,-22.47,;73.12,-20.92,;74.45,-20.15,;74.45,-18.61,;75.78,-17.84,;77.11,-18.61,;78.44,-17.84,;78.44,-16.3,;79.78,-15.53,;77.11,-15.53,;75.77,-16.3,;75.79,-20.92,;71.79,-20.15,;71.79,-18.61,;70.46,-20.93,;70.45,-19.38,;78.45,-20.93,;79.78,-20.15,)|
Cn1ccc2cc(Nc3ncc(c(N[C@@H]4CC[C@H](N)CC4)n3)C(F)(F)F)ccc2c1=O |r,wU:14.13,17.17,(14.79,-47.72,;13.46,-48.49,;13.46,-50.03,;12.13,-50.8,;10.79,-50.04,;9.46,-50.81,;8.13,-50.04,;6.8,-50.81,;5.46,-50.05,;4.13,-50.82,;2.79,-50.05,;2.79,-48.5,;4.12,-47.73,;4.12,-46.19,;5.45,-45.42,;6.78,-46.19,;8.11,-45.42,;8.11,-43.88,;9.45,-43.11,;6.78,-43.11,;5.44,-43.88,;5.46,-48.5,;1.46,-47.73,;1.46,-46.19,;.13,-48.5,;.12,-46.96,;8.12,-48.51,;9.45,-47.73,;10.79,-48.5,;12.12,-47.72,;12.12,-46.18,)|
Cn1c2nc(Nc3ccc(CCC(N)=O)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(2.93,-3.94,;2.93,-2.39,;1.57,-1.62,;.24,-2.42,;-1.09,-1.64,;-2.42,-2.42,;-3.76,-1.64,;-5.09,-2.42,;-6.42,-1.67,;-6.42,-.1,;-7.78,.67,;-7.78,2.21,;-9.11,2.96,;-10.44,2.19,;-9.11,4.5,;-5.09,.67,;-3.76,-.1,;-1.09,-.1,;.24,.69,;1.57,-.08,;2.91,.69,;4.24,-.08,;5.57,.72,;5.57,2.24,;4.22,3.01,;6.88,3.03,;8.24,2.26,;8.24,.72,;6.91,-.05,;6.93,-1.6,;4.26,-1.62,;5.6,-2.39,)|
Cn1c2nc(Nc3ccc(OCCCC(O)=O)cc3)ncc2cc(-c2c(Cl)ccc(O)c2Cl)c1=O |(3.36,-4.48,;3.36,-2.95,;2.01,-2.17,;.68,-2.95,;-.65,-2.17,;-1.98,-2.95,;-3.31,-2.19,;-3.31,-.64,;-4.64,.12,;-5.97,-.66,;-7.32,.12,;-7.32,1.65,;-8.67,2.43,;-8.67,3.96,;-9.99,4.74,;-9.99,6.28,;-11.3,3.96,;-5.97,-2.2,;-4.64,-2.96,;-.65,-.63,;.68,.14,;2.01,-.63,;3.34,.16,;4.67,-.61,;6,.16,;7.35,-.61,;7.35,-2.15,;8.68,.16,;8.66,1.72,;7.31,2.47,;7.31,4.01,;6,1.7,;4.65,2.45,;4.7,-2.15,;6.03,-2.92,)|
Cc1cc(O)cc(C)c1-c1cc2cnc(Nc3ccccc3)nc2n(C)c1=O |(4.99,-1.27,;4.99,.27,;6.32,1.05,;6.31,2.58,;7.64,3.38,;4.95,3.36,;3.64,2.58,;2.29,3.33,;3.65,1.05,;2.33,.27,;.99,1.02,;-.33,.26,;-1.67,1.02,;-3,.23,;-3,-1.31,;-4.33,-2.08,;-5.69,-1.31,;-6.99,-2.08,;-8.32,-1.33,;-8.35,.23,;-7,1,;-5.66,.23,;-1.67,-2.08,;-.33,-1.29,;1,-2.05,;1,-3.6,;2.33,-1.29,;3.67,-2.05,)|
Cn1c2nc(Nc3ccccc3)ncc2cc(-c2c(Cl)ccc(CO)c2Cl)c1=O |(.89,-3.84,;.89,-2.31,;-.46,-1.53,;-1.8,-2.32,;-3.13,-1.55,;-4.46,-2.32,;-5.79,-1.56,;-5.79,-.02,;-7.12,.75,;-8.47,-.02,;-8.47,-1.57,;-7.12,-2.32,;-3.13,-.01,;-1.8,.79,;-.46,,;.86,.79,;2.2,.02,;3.53,.79,;4.87,.04,;4.88,-1.52,;6.2,.79,;6.19,2.35,;4.84,3.11,;4.83,4.65,;6.15,5.43,;3.53,2.33,;2.17,3.1,;2.22,-1.53,;3.55,-2.3,)|
COc1ccc(Cl)c(c1Cl)-c1cc2cnc(Nc3ccccc3)nc2n(C)c1=O |(6.15,5.44,;4.83,4.64,;4.84,3.1,;6.19,2.35,;6.19,.81,;4.86,.02,;4.88,-1.52,;3.53,.79,;3.52,2.33,;2.18,3.08,;2.2,.02,;.87,.79,;-.46,,;-1.79,.77,;-3.12,,;-3.12,-1.54,;-4.45,-2.32,;-5.79,-1.56,;-7.11,-2.33,;-8.44,-1.56,;-8.46,-.03,;-7.12,.75,;-5.78,-.01,;-1.79,-2.31,;-.46,-1.54,;.89,-2.31,;.89,-3.85,;2.22,-1.52,;3.56,-2.29,)|
Cn1c2nc(Nc3ccccc3)ncc2cc(-c2c(Cl)ccc(O)c2Cl)c1=O |(1.11,-3.66,;1.11,-2.13,;-.25,-1.34,;-1.58,-2.13,;-2.91,-1.34,;-4.25,-2.14,;-5.58,-1.36,;-6.91,-2.14,;-8.25,-1.38,;-8.25,.18,;-6.91,.95,;-5.58,.18,;-2.91,.19,;-1.58,.97,;-.25,.19,;1.08,.97,;2.42,.23,;3.75,.98,;5.08,.23,;5.11,-1.32,;6.41,1,;6.41,2.54,;5.06,3.3,;5.06,4.86,;3.75,2.54,;2.39,3.29,;2.44,-1.34,;3.77,-2.09,)|
Cn1c2nc(Nc3ccccc3)ncc2cc(-c2c(Cl)ccc(N)c2Cl)c1=O |(1.11,-3.66,;1.11,-2.13,;-.25,-1.34,;-1.58,-2.13,;-2.91,-1.34,;-4.25,-2.14,;-5.58,-1.36,;-6.91,-2.14,;-8.25,-1.38,;-8.25,.18,;-6.91,.95,;-5.58,.18,;-2.91,.19,;-1.58,.97,;-.25,.19,;1.08,.97,;2.42,.23,;3.75,.98,;5.08,.23,;5.11,-1.32,;6.41,1,;6.41,2.54,;5.06,3.3,;5.06,4.86,;3.75,2.54,;2.39,3.29,;2.44,-1.34,;3.77,-2.09,)|
Cn1c2nc(Nc3ccc(CCCC(O)=O)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-9.48,-2.74,;-9.48,-4.28,;-8.15,-5.05,;-8.15,-6.59,;-7.38,-7.93,;-8.15,-9.26,;-7.06,-10.35,;-5.57,-10.75,;-7.83,-11.68,;-6.82,-4.28,;-6.82,-2.74,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)|
CCN(CC)CCOc1ccc(Nc2ncc3c(C)c(-c4ccccc4Cl)c(=O)n(C)c3n2)cc1 |(-10.91,3.89,;-9.58,4.67,;-8.25,3.89,;-6.91,4.67,;-5.57,3.91,;-8.23,2.36,;-6.9,1.6,;-6.9,.06,;-5.57,-.71,;-5.54,-2.27,;-4.21,-3.02,;-2.91,-2.24,;-1.56,-3.02,;-.23,-2.24,;-.23,-.68,;1.1,.09,;2.43,-.68,;3.76,.09,;3.74,1.63,;5.09,-.68,;6.42,.11,;7.75,-.66,;9.08,.12,;9.08,1.65,;7.73,2.42,;6.4,1.63,;5.07,2.28,;5.09,-2.22,;6.45,-2.99,;3.76,-2.99,;3.76,-4.55,;2.43,-2.24,;1.1,-3.02,;-2.89,-.71,;-4.24,.07,)|
Cc1c(-c2ccccc2Cl)c(=O)n(C)c2nc(Nc3ccccc3)ncc12 |(1.41,2.56,;1.42,1.02,;2.76,.25,;4.08,1.03,;5.42,.26,;6.75,1.04,;6.75,2.58,;5.4,3.33,;4.07,2.56,;2.73,3.21,;2.76,-1.29,;4.09,-2.06,;1.43,-2.08,;1.43,-3.62,;.1,-1.31,;-1.24,-2.08,;-2.57,-1.31,;-3.89,-2.08,;-5.24,-1.31,;-6.56,-2.1,;-7.88,-1.34,;-7.9,.21,;-6.57,1,;-5.23,.23,;-2.57,.23,;-1.24,1,;.1,.23,)|
Cn1c2nc(Nc3ccccc3)ncc2cc(-c2c(Cl)ccc(C(O)=O)c2Cl)c1=O |(.77,-4.02,;.77,-2.5,;-.56,-1.71,;-1.91,-2.5,;-3.24,-1.71,;-4.57,-2.5,;-5.9,-1.73,;-7.23,-2.5,;-8.58,-1.75,;-8.58,-.21,;-7.23,.58,;-5.9,-.19,;-3.24,-.17,;-1.91,.6,;-.56,-.17,;.75,.6,;2.08,-.15,;3.41,.61,;4.74,-.15,;4.76,-1.7,;6.07,.62,;6.07,2.16,;4.72,2.92,;4.71,4.47,;3.36,5.23,;6.03,5.27,;3.41,2.16,;2.05,2.91,;2.1,-1.71,;3.43,-2.46,)|
COc1cc(C)c(c(C)c1)-c1cc2cnc(Nc3ccccc3)nc2n(C)c1=O |(8.66,2.52,;7.33,3.29,;6,2.5,;6,.96,;4.67,.19,;4.67,-1.35,;3.34,.96,;3.32,2.49,;1.99,3.24,;4.65,3.27,;2.01,.18,;.68,.93,;-.65,.16,;-1.98,.93,;-3.31,.16,;-3.31,-1.38,;-4.64,-2.17,;-5.99,-1.4,;-7.3,-2.17,;-8.63,-1.41,;-8.65,.14,;-7.32,.91,;-5.97,.14,;-1.98,-2.15,;-.65,-1.38,;.68,-2.15,;.68,-3.69,;2.01,-1.38,;3.37,-2.13,)|
Cn1c2nc(Nc3ccccc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-6.81,-2.74,;-6.81,-4.28,;-8.14,-5.05,;-9.48,-4.29,;-9.48,-2.75,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)|
Cn1c2nc(Nc3ccccc3)ncc2cc(-c2c(O)cccc2O)c1=O |(1.29,-3.48,;1.29,-1.94,;-.06,-1.17,;-1.39,-1.94,;-2.72,-1.17,;-4.05,-1.94,;-5.38,-1.17,;-5.38,.37,;-6.71,1.14,;-8.04,.34,;-8.03,-1.2,;-6.71,-1.97,;-2.72,.37,;-1.39,1.14,;-.06,.37,;1.27,1.16,;2.61,.39,;3.93,1.16,;3.93,2.7,;2.57,3.45,;5.23,3.48,;6.59,2.72,;6.59,1.18,;5.26,.4,;5.28,-1.15,;2.62,-1.15,;3.95,-1.92,)|
COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(Nc3ccccc3)nc2n(C)c1=O |(5.67,5.48,;4.32,4.71,;4.36,3.15,;5.7,2.4,;5.7,.86,;7.05,.11,;7.05,-1.45,;4.37,.09,;4.37,-1.45,;3.04,.86,;3.02,2.37,;1.69,3.14,;1.71,.06,;.38,.83,;-.93,.05,;-2.28,.83,;-3.61,.04,;-3.61,-1.5,;-4.94,-2.27,;-6.28,-1.52,;-6.27,.04,;-7.62,.79,;-8.95,.04,;-8.93,-1.52,;-7.6,-2.27,;-2.28,-2.27,;-.93,-1.49,;.38,-2.26,;.38,-3.8,;1.71,-1.49,;3.06,-2.25,)|
CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cc(O)cc4Cl)c(=O)n(C)c3n2)cc1 |(-7.32,6.13,;-7.32,4.59,;-8.65,3.8,;-9.98,4.59,;-9.98,6.11,;-8.63,2.26,;-7.3,1.51,;-7.3,-.03,;-5.97,-.8,;-4.64,-.02,;-3.29,-.79,;-3.31,-2.33,;-1.95,-3.1,;-.62,-2.33,;-.62,-.78,;.71,-.01,;2.04,-.78,;3.37,,;4.7,-.77,;6.03,.02,;6,1.54,;4.67,2.3,;7.33,2.33,;8.69,1.56,;9.99,2.35,;8.69,.02,;7.36,-.75,;7.36,-2.29,;4.7,-2.31,;6.04,-3.08,;3.37,-3.09,;3.37,-4.63,;2.04,-2.32,;.71,-3.1,;-4.61,-3.11,;-5.94,-2.36,)|
Cc1c(O)cc(O)c(C)c1-c1cc2cnc(Nc3ccccc3)nc2n(C)c1=O |(2.13,3.27,;3.47,2.52,;4.8,3.3,;4.78,4.84,;6.16,2.53,;6.16,.98,;7.49,.23,;4.82,.21,;4.82,-1.33,;3.49,.98,;2.16,.2,;.82,.96,;-.51,.19,;-1.84,.96,;-3.17,.18,;-3.17,-1.36,;-4.5,-2.15,;-5.86,-1.38,;-5.84,.16,;-7.19,.94,;-8.53,.16,;-8.5,-1.39,;-7.17,-2.15,;-1.84,-2.14,;-.51,-1.34,;.83,-2.13,;.83,-3.66,;2.16,-1.34,;3.52,-2.11,)|
Cc1cccc(C)c1-c1cc2cnc(Nc3ccccc3)nc2n(C)c1=O |(5.28,-1.15,;5.26,.4,;6.59,1.18,;6.59,2.72,;5.23,3.48,;3.93,2.7,;2.57,3.45,;3.93,1.16,;2.61,.39,;1.27,1.16,;-.06,.37,;-1.39,1.14,;-2.72,.37,;-2.72,-1.17,;-4.05,-1.94,;-5.38,-1.17,;-5.38,.37,;-6.71,1.14,;-8.04,.34,;-8.03,-1.2,;-6.71,-1.97,;-1.39,-1.94,;-.06,-1.17,;1.29,-1.94,;1.29,-3.48,;2.62,-1.15,;3.95,-1.92,)|
COc1cc(Cl)c(c(Cl)c1)-c1cc2cnc(Nc3ccccc3)nc2n(C)c1=O |(8.66,2.52,;7.33,3.29,;6,2.5,;4.65,3.27,;3.32,2.49,;1.99,3.24,;3.34,.96,;4.67,.19,;4.67,-1.35,;6,.96,;2.01,.18,;.68,.93,;-.65,.16,;-1.98,.93,;-3.31,.16,;-3.31,-1.38,;-4.64,-2.17,;-5.99,-1.4,;-7.3,-2.17,;-8.63,-1.41,;-8.65,.14,;-7.32,.91,;-5.97,.14,;-1.98,-2.15,;-.65,-1.38,;.68,-2.15,;.68,-3.69,;2.01,-1.38,;3.37,-2.13,)|
Cn1c2nc(Nc3ccc(OCC(N)=O)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(2.92,-3.94,;2.92,-2.4,;1.59,-1.63,;.24,-2.4,;-1.09,-1.63,;-2.42,-2.41,;-3.75,-1.64,;-5.08,-2.43,;-6.41,-1.66,;-6.41,-.12,;-7.76,.65,;-7.76,2.19,;-9.09,2.96,;-10.42,2.19,;-9.09,4.5,;-5.08,.67,;-3.75,-.1,;-1.09,-.09,;.24,.68,;1.59,-.09,;2.9,.69,;4.25,-.05,;5.56,.7,;5.56,2.24,;4.21,2.99,;6.88,3.01,;8.22,2.26,;8.24,.72,;6.91,-.05,;6.91,-1.61,;4.25,-1.62,;5.58,-2.38,)|
Cn1c2nc(Nc3ccc(CC(N)=O)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(2.5,-3.81,;2.5,-2.27,;1.17,-1.5,;-.18,-2.29,;-1.51,-1.52,;-2.84,-2.29,;-4.17,-1.52,;-5.5,-2.29,;-6.83,-1.55,;-6.83,.02,;-8.17,.79,;-8.18,2.33,;-6.84,3.1,;-9.51,3.07,;-5.5,.79,;-4.17,.02,;-1.51,.02,;-.18,.81,;1.17,.04,;2.48,.81,;3.83,.04,;5.14,.83,;5.14,2.36,;3.79,3.12,;6.46,3.14,;7.8,2.37,;7.82,.83,;6.49,.06,;6.49,-1.48,;3.83,-1.5,;5.16,-2.27,)|
CCN(CC)CCOc1ccc(Nc2ncc3c(C)c(-c4c(C)cccc4C)c(=O)n(C)c3n2)cc1 |(-9.79,6.13,;-9.79,4.6,;-8.46,3.83,;-7.13,4.6,;-7.13,6.15,;-8.44,2.28,;-7.11,1.53,;-7.11,-.01,;-5.78,-.78,;-4.45,,;-3.1,-.78,;-3.12,-2.31,;-1.77,-3.08,;-.44,-2.31,;-.44,-.75,;.89,,;2.22,-.75,;3.55,.02,;3.53,1.56,;4.88,-.75,;6.21,.04,;6.19,1.56,;4.85,2.33,;7.52,2.35,;8.87,1.59,;8.87,.04,;7.54,-.75,;7.54,-2.27,;4.88,-2.29,;6.23,-3.06,;3.55,-3.06,;3.55,-4.6,;2.22,-2.31,;.89,-3.08,;-4.43,-3.09,;-5.76,-2.33,)|
Cn1c2nc(Nc3ccccc3)ncc2cc(-c2c(F)cccc2F)c1=O |(1.29,-3.48,;1.29,-1.94,;-.06,-1.17,;-1.39,-1.94,;-2.72,-1.17,;-4.05,-1.94,;-5.38,-1.17,;-5.38,.37,;-6.71,1.14,;-8.04,.34,;-8.03,-1.2,;-6.71,-1.97,;-2.72,.37,;-1.39,1.14,;-.06,.37,;1.27,1.16,;2.61,.39,;3.93,1.16,;5.26,.4,;5.28,-1.15,;6.59,1.18,;6.59,2.72,;5.23,3.48,;3.93,2.7,;2.57,3.45,;2.62,-1.15,;3.95,-1.92,)|
Cn1c2nc(Nc3ccccc3)ncc2cc(-c2c(Cl)ccc(C(N)=O)c2Cl)c1=O |(.77,-4.02,;.77,-2.5,;-.56,-1.71,;-1.91,-2.5,;-3.24,-1.71,;-4.57,-2.5,;-5.9,-1.73,;-7.23,-2.5,;-8.58,-1.75,;-8.58,-.21,;-7.23,.58,;-5.9,-.19,;-3.24,-.17,;-1.91,.6,;-.56,-.17,;.75,.6,;2.08,-.15,;3.41,.61,;4.74,-.15,;4.76,-1.7,;6.07,.62,;6.07,2.16,;4.72,2.92,;4.71,4.47,;6.03,5.27,;3.36,5.23,;3.41,2.16,;2.05,2.91,;2.1,-1.71,;3.43,-2.46,)|
Cn1c2nc(Nc3ccccc3)ncc2cc(-c2c(Cl)cccc2C(F)(F)F)c1=O |(.75,-3.34,;.75,-1.8,;-.6,-1.03,;-1.93,-1.82,;-3.26,-1.03,;-4.59,-1.82,;-5.93,-1.03,;-7.25,-1.83,;-8.58,-1.07,;-8.59,.48,;-7.25,1.26,;-5.92,.49,;-3.26,.51,;-1.93,1.28,;-.6,.51,;.73,1.28,;2.06,.51,;3.39,1.3,;3.39,2.82,;2.04,3.59,;4.7,3.61,;6.05,2.85,;6.05,1.31,;4.72,.53,;4.74,-1.01,;6.28,-1.01,;3.65,.09,;4.72,-2.55,;2.08,-1.03,;3.41,-1.78,)|
COc1cccc(O)c1-c1cc2cnc(Nc3ccccc3)nc2n(C)c1=O |(2.48,4.82,;2.5,3.28,;3.83,2.52,;5.14,3.29,;6.49,2.54,;6.49,1,;5.16,.23,;5.19,-1.31,;3.83,.98,;2.5,.21,;1.19,.97,;-.16,.19,;-1.49,.97,;-2.8,.19,;-2.8,-1.35,;-4.15,-2.12,;-5.48,-1.35,;-5.48,.19,;-6.81,.96,;-8.14,.18,;-8.14,-1.38,;-6.81,-2.13,;-1.49,-2.12,;-.16,-1.34,;1.2,-2.12,;1.2,-3.65,;2.53,-1.34,;3.86,-2.1,)|
Cc1cccc(Cl)c1-c1cc2cnc(Nc3ccccc3)nc2n(C)c1=O |(5.28,-1.15,;5.26,.4,;6.59,1.18,;6.59,2.72,;5.23,3.48,;3.93,2.7,;2.57,3.45,;3.93,1.16,;2.61,.39,;1.27,1.16,;-.06,.37,;-1.39,1.14,;-2.72,.37,;-2.72,-1.17,;-4.05,-1.94,;-5.38,-1.17,;-5.38,.37,;-6.71,1.14,;-8.04,.34,;-8.03,-1.2,;-6.71,-1.97,;-1.39,-1.94,;-.06,-1.17,;1.29,-1.94,;1.29,-3.48,;2.62,-1.15,;3.95,-1.92,)|
CC(=O)Nc1cc(Cl)c(c(Cl)c1)-c1cc2cnc(Nc3ccccc3)nc2n(C)c1=O |(8.22,5.17,;6.89,4.4,;5.56,5.15,;6.91,2.86,;5.58,2.07,;5.58,.53,;4.25,-.24,;4.25,-1.78,;2.92,.53,;2.9,2.05,;1.56,2.82,;4.23,2.84,;1.59,-.26,;.26,.51,;-1.07,-.26,;-2.4,.51,;-3.73,-.29,;-3.73,-1.83,;-5.06,-2.6,;-6.41,-1.83,;-6.39,-.29,;-7.74,.48,;-9.08,-.29,;-9.05,-1.85,;-7.74,-2.6,;-2.4,-2.6,;-1.07,-1.8,;.26,-2.57,;.26,-4.11,;1.59,-1.8,;2.94,-2.57,)|
COc1cccc(OC)c1-c1cc2cnc(Nc3ccccc3)nc2n(C)c1=O |(6.31,-2.01,;4.95,-1.24,;4.95,.3,;6.28,1.07,;6.28,2.61,;4.92,3.38,;3.62,2.59,;2.27,3.35,;2.25,4.89,;3.62,1.07,;2.29,.28,;.96,1.05,;-.37,.27,;-1.7,1.04,;-3.03,.27,;-3.03,-1.28,;-4.36,-2.05,;-5.71,-1.28,;-5.68,.26,;-7.02,1.03,;-8.37,.25,;-8.35,-1.31,;-7.02,-2.06,;-1.7,-2.05,;-.37,-1.27,;.96,-2.04,;.96,-3.58,;2.31,-1.26,;3.65,-2.03,)|
Cc1c(-c2ccccc2)c(=O)n(C)c2nc(Nc3ccccc3)ncc12
Cn1c2nc(Nc3ccc(OCCCC(O)=O)cc3)ncc2cc(-c2c(Cl)cc(O)cc2Cl)c1=O |(3.27,-4.44,;3.27,-2.9,;1.94,-2.12,;.61,-2.9,;-.72,-2.12,;-2.05,-2.92,;-3.38,-2.15,;-3.38,-.61,;-4.71,.16,;-6.06,-.61,;-7.4,.16,;-7.4,1.7,;-8.73,2.47,;-8.73,4.01,;-10.07,4.78,;-10.07,6.32,;-11.37,4.01,;-6.06,-2.15,;-4.71,-2.92,;-.72,-.59,;.61,.18,;1.94,-.59,;3.27,.19,;4.6,-.57,;5.93,.2,;5.93,1.74,;4.56,2.49,;7.24,2.51,;8.59,1.75,;9.92,2.54,;8.59,.23,;7.26,-.57,;7.28,-2.11,;4.62,-2.12,;5.95,-2.87,)|
Cc1cccc(Br)c1-c1cc2cnc(Nc3ccccc3)nc2n(C)c1=O |(2.57,3.45,;3.93,2.7,;5.23,3.48,;6.59,2.72,;6.59,1.18,;5.26,.4,;5.28,-1.15,;3.93,1.16,;2.61,.39,;1.27,1.16,;-.06,.37,;-1.39,1.14,;-2.72,.37,;-2.72,-1.17,;-4.05,-1.94,;-5.38,-1.17,;-5.38,.37,;-6.71,1.14,;-8.04,.34,;-8.03,-1.2,;-6.71,-1.97,;-1.39,-1.94,;-.06,-1.17,;1.29,-1.94,;1.29,-3.48,;2.62,-1.15,;3.95,-1.92,)|
Cn1c2nc(Nc3ccccc3)ncc2cc(-c2c(F)cccc2Cl)c1=O |(1.29,-3.48,;1.29,-1.94,;-.06,-1.17,;-1.39,-1.94,;-2.72,-1.17,;-4.05,-1.94,;-5.38,-1.17,;-5.38,.37,;-6.71,1.14,;-8.04,.34,;-8.03,-1.2,;-6.71,-1.97,;-2.72,.37,;-1.39,1.14,;-.06,.37,;1.27,1.16,;2.61,.39,;3.93,1.16,;5.26,.4,;5.28,-1.15,;6.59,1.18,;6.59,2.72,;5.23,3.48,;3.93,2.7,;2.57,3.45,;2.62,-1.15,;3.95,-1.92,)|
Cn1c2nc(Nc3ccccc3)ncc2cc(-c2c(cccc2C(F)(F)F)C(F)(F)F)c1=O |(.54,-3.62,;.54,-2.08,;-.79,-1.31,;-2.14,-2.1,;-3.45,-1.34,;-4.78,-2.1,;-6.13,-1.34,;-6.11,.21,;-7.46,.97,;-8.78,.19,;-8.78,-1.35,;-7.44,-2.12,;-3.45,.23,;-2.14,.98,;-.79,.23,;.54,1,;1.87,.23,;3.2,1.02,;4.52,.23,;5.85,1.03,;5.85,2.57,;4.5,3.33,;3.18,2.54,;1.84,3.29,;.5,4.07,;1.07,1.96,;2.61,4.63,;4.53,-1.31,;6.07,-1.31,;4.13,-2.78,;5.62,-2.39,;1.87,-1.31,;3.22,-2.08,)|
Cn1c2nc(Nc3ccccc3)ncc2cc(-c2c(Cl)cc(O)cc2Cl)c1=O |(1,-3.6,;1,-2.05,;-.33,-1.29,;-1.67,-2.08,;-3,-1.31,;-4.33,-2.08,;-5.69,-1.31,;-6.99,-2.08,;-8.32,-1.33,;-8.35,.23,;-7,1,;-5.66,.23,;-3,.23,;-1.67,1.02,;-.33,.26,;.99,1.02,;2.33,.27,;3.65,1.05,;3.64,2.58,;2.29,3.33,;4.95,3.36,;6.31,2.58,;7.64,3.38,;6.32,1.05,;4.99,.27,;4.99,-1.27,;2.33,-1.29,;3.67,-2.05,)|
Cn1c2nc(Nc3ccc(CCCC(=O)OCCN4CCCCC4)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(5.37,-6.05,;5.37,-4.51,;4.04,-3.74,;2.69,-4.51,;1.36,-3.74,;.03,-4.53,;-1.3,-3.76,;-2.63,-4.53,;-3.96,-3.76,;-3.96,-2.22,;-5.31,-1.45,;-5.31,.09,;-6.64,.86,;-6.64,2.4,;-5.31,3.17,;-7.97,3.17,;-7.97,4.71,;-9.33,5.45,;-9.33,6.99,;-10.66,7.75,;-10.66,9.29,;-9.33,10.06,;-7.97,9.29,;-8,7.75,;-2.63,-1.45,;-1.3,-2.22,;1.36,-2.2,;2.69,-1.43,;4.04,-2.2,;5.35,-1.42,;6.7,-2.18,;8.01,-1.41,;8.01,.13,;6.66,.88,;9.33,.9,;10.67,.14,;10.69,-1.38,;9.36,-2.18,;9.36,-3.72,;6.7,-3.73,;8.03,-4.49,)|
CC(=O)Nc1ccc(Cl)c(c1Cl)-c1cc2cnc(Nc3ccccc3)nc2n(C)c1=O |(7.05,4.29,;5.7,5.06,;5.69,6.6,;4.39,4.27,;4.39,2.73,;5.75,1.96,;5.75,.42,;4.42,-.35,;4.44,-1.89,;3.09,.42,;3.08,1.95,;1.73,2.71,;1.76,-.36,;.43,.4,;-.9,-.37,;-2.23,.4,;-3.56,-.38,;-3.56,-1.92,;-4.89,-2.71,;-6.23,-1.94,;-6.22,-.4,;-7.56,.37,;-8.91,-.4,;-8.88,-1.94,;-7.55,-2.71,;-2.23,-2.69,;-.9,-1.9,;.44,-2.68,;.44,-4.21,;1.77,-1.9,;3.11,-2.67,)|
CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)ccc(O)c4Cl)c(=O)n(C)c3n2)cc1 |(-7.25,6.08,;-7.25,4.54,;-8.58,3.77,;-9.89,4.53,;-9.89,6.07,;-8.56,2.22,;-7.23,1.46,;-7.21,-.08,;-5.9,-.85,;-4.57,-.05,;-3.21,-.84,;-3.22,-2.38,;-1.88,-3.13,;-.55,-2.38,;-.55,-.82,;.78,-.05,;2.12,-.82,;3.44,-.03,;4.77,-.82,;6.1,-.03,;7.43,-.8,;7.43,-2.34,;8.77,-.02,;8.76,1.53,;7.42,2.28,;7.38,3.82,;6.07,1.49,;4.74,2.26,;4.77,-2.34,;6.12,-3.13,;3.44,-3.13,;3.44,-4.67,;2.12,-2.36,;.78,-3.13,;-4.54,-3.16,;-5.87,-2.39,)|
Cn1c2nc(Nc3ccccc3)ncc2cc(-c2c(Cl)ccc(Cl)c2Cl)c1=O |(1.11,-3.66,;1.11,-2.13,;-.23,-1.34,;-1.58,-2.13,;-2.91,-1.34,;-4.25,-2.14,;-5.58,-1.36,;-6.91,-2.14,;-8.25,-1.38,;-8.25,.18,;-6.91,.95,;-5.58,.18,;-2.91,.19,;-1.58,.97,;-.23,.19,;1.08,.97,;2.43,.23,;3.75,.98,;5.1,.23,;5.11,-1.32,;6.43,1,;6.41,2.54,;5.08,3.3,;5.06,4.86,;3.75,2.54,;2.39,3.29,;2.44,-1.34,;3.77,-2.09,)|
Cn1c2nc(Nc3ccc(CCCCC(N)=O)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(3.58,-4.37,;3.58,-2.83,;2.24,-2.06,;.89,-2.83,;-.44,-2.06,;-1.77,-2.85,;-3.1,-2.08,;-3.1,-.54,;-4.43,.23,;-5.76,-.54,;-7.09,.23,;-7.11,1.77,;-8.44,2.54,;-8.44,4.08,;-9.79,4.85,;-9.45,6.35,;-11.23,4.36,;-5.76,-2.08,;-4.43,-2.85,;-.44,-.52,;.89,.25,;2.24,-.52,;3.55,.26,;4.88,-.5,;6.21,.27,;6.21,1.81,;4.85,2.56,;7.54,2.58,;8.87,1.82,;8.87,.28,;7.56,-.5,;7.57,-2.04,;4.91,-2.05,;6.23,-2.81,)|
Cc1cccc(C)c1-c1c(C)c2cnc(Nc3ccccc3)nc2n(C)c1=O |(5.23,-1.24,;5.23,.3,;6.56,1.09,;6.54,2.63,;5.2,3.38,;3.88,2.61,;2.53,3.35,;3.88,1.07,;2.57,.3,;1.22,1.07,;1.22,2.61,;-.09,.27,;-1.42,1.05,;-2.77,.27,;-2.77,-1.27,;-4.1,-2.04,;-5.44,-1.27,;-6.76,-2.06,;-8.09,-1.29,;-8.11,.25,;-6.76,1.04,;-5.41,.27,;-1.42,-2.04,;-.09,-1.27,;1.24,-2.04,;1.24,-3.58,;2.57,-1.24,;3.92,-2.01,)|
Cn1c2nc(Nc3ccc(CCCC(=O)OCCN4CCOCC4)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(5.37,-6.04,;5.37,-4.51,;4.02,-3.73,;2.69,-4.51,;1.38,-3.76,;.03,-4.53,;-1.3,-3.76,;-2.61,-4.53,;-3.96,-3.76,;-3.96,-2.22,;-5.31,-1.45,;-5.31,.09,;-6.64,.84,;-6.64,2.4,;-5.31,3.17,;-8,3.15,;-8,4.71,;-9.31,5.45,;-9.33,6.99,;-8,7.75,;-8,9.29,;-9.31,10.06,;-10.66,9.29,;-10.66,7.75,;-2.63,-1.45,;-1.28,-2.22,;1.38,-2.2,;2.69,-1.42,;4.02,-2.2,;5.37,-1.42,;6.68,-2.19,;8.03,-1.41,;9.36,-2.17,;9.36,-3.72,;10.67,-1.41,;10.67,.14,;9.33,.9,;8.01,.12,;6.67,.89,;6.7,-3.73,;8.05,-4.5,)|
Cn1c2nc(Nc3ccccc3)ncc2cc(-c2c(Cl)c(O)cc(O)c2Cl)c1=O |(.83,-3.66,;.83,-2.13,;-.51,-1.34,;-1.84,-2.14,;-3.17,-1.36,;-4.5,-2.15,;-5.86,-1.38,;-5.84,.16,;-7.19,.94,;-8.53,.16,;-8.5,-1.39,;-7.17,-2.15,;-3.17,.18,;-1.84,.96,;-.51,.19,;.82,.96,;2.16,.2,;3.49,.98,;4.82,.21,;4.82,-1.33,;6.16,.98,;7.49,.23,;6.16,2.53,;4.8,3.3,;4.78,4.84,;3.47,2.52,;2.13,3.27,;2.16,-1.34,;3.52,-2.11,)|
Cn1c2nc(Nc3ccccc3)ncc2cc(-c2c(Cl)cc(N)cc2Cl)c1=O |(1,-3.6,;1,-2.05,;-.33,-1.29,;-1.67,-2.08,;-3,-1.31,;-4.33,-2.08,;-5.69,-1.31,;-6.99,-2.08,;-8.32,-1.33,;-8.35,.23,;-7,1,;-5.66,.23,;-3,.23,;-1.67,1.02,;-.33,.26,;.99,1.02,;2.33,.27,;3.65,1.05,;3.64,2.58,;2.29,3.33,;4.95,3.36,;6.31,2.58,;7.64,3.38,;6.32,1.05,;4.99,.27,;4.99,-1.27,;2.33,-1.29,;3.67,-2.05,)|
Cn1c2nc(Nc3ccc(CC(N)C(O)=O)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(3.13,-4.02,;3.13,-2.5,;1.78,-1.71,;.44,-2.5,;-.9,-1.71,;-2.23,-2.5,;-3.56,-1.73,;-4.89,-2.5,;-6.21,-1.75,;-6.21,-.21,;-7.58,.56,;-7.58,2.1,;-6.22,2.89,;-8.91,2.89,;-10.24,2.1,;-8.91,4.41,;-4.89,.58,;-3.56,-.19,;-.9,-.17,;.44,.6,;1.78,-.17,;3.09,.6,;4.44,-.15,;5.75,.61,;7.1,-.15,;7.1,-1.7,;8.43,.65,;8.41,2.16,;7.08,2.92,;5.75,2.16,;4.39,2.91,;4.44,-1.71,;5.79,-2.46,)|
COc1cccc(Cl)c1-c1cc2cnc(Nc3ccccc3)nc2n(C)c1=O |(6.38,-1.83,;5.04,-1.08,;5.02,.46,;6.35,1.25,;6.35,2.79,;5,3.55,;3.69,2.77,;2.34,3.52,;3.69,1.24,;2.36,.46,;1.03,1.23,;-.3,.44,;-1.63,1.21,;-2.96,.44,;-2.96,-1.1,;-4.29,-1.87,;-5.62,-1.1,;-5.62,.44,;-6.95,1.21,;-8.28,.41,;-8.28,-1.13,;-6.95,-1.9,;-1.63,-1.87,;-.3,-1.1,;1.06,-1.87,;1.06,-3.41,;2.39,-1.08,;3.72,-1.85,)|
Cn1c2nc(Nc3ccc(OCCCC(O)=O)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(3.58,-4.36,;3.58,-2.82,;2.22,-2.05,;.89,-2.83,;-.44,-2.06,;-1.77,-2.83,;-3.1,-2.06,;-4.43,-2.85,;-5.76,-2.08,;-5.76,-.54,;-7.11,.23,;-7.11,1.77,;-8.44,2.54,;-8.44,4.08,;-9.79,4.85,;-11.12,4.08,;-9.79,6.39,;-4.43,.25,;-3.1,-.52,;-.44,-.52,;.89,.26,;2.22,-.52,;3.55,.27,;4.88,-.5,;6.21,.28,;7.54,-.49,;7.57,-2.03,;8.87,.3,;8.87,1.84,;7.52,2.59,;6.21,1.81,;4.86,2.57,;4.91,-2.04,;6.24,-2.81,)|
Cn1c2nc(Nc3ccccc3)ncc2cc(-c2c(O)cccc2Cl)c1=O |(1.29,-3.48,;1.29,-1.94,;-.06,-1.17,;-1.39,-1.94,;-2.72,-1.17,;-4.05,-1.94,;-5.38,-1.17,;-5.38,.37,;-6.71,1.14,;-8.04,.34,;-8.03,-1.2,;-6.71,-1.97,;-2.72,.37,;-1.39,1.14,;-.06,.37,;1.27,1.16,;2.61,.39,;3.93,1.16,;5.26,.4,;5.28,-1.15,;6.59,1.18,;6.59,2.72,;5.23,3.48,;3.93,2.7,;2.57,3.45,;2.62,-1.15,;3.95,-1.92,)|
Cn1c2nc(Nc3ccc(CCCC4N=NN=N4)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |c:14,16,(3.67,-4.58,;3.67,-3.04,;2.33,-2.27,;.99,-3.04,;-.34,-2.27,;-1.67,-3.06,;-3,-2.29,;-4.33,-3.06,;-5.66,-2.29,;-5.66,-.75,;-7.02,.02,;-7.02,1.56,;-8.35,2.33,;-8.35,3.87,;-7.11,4.78,;-7.58,6.23,;-9.14,6.23,;-9.61,4.76,;-4.33,.02,;-3,-.75,;-.34,-.73,;.99,.04,;2.33,-.73,;3.65,.05,;4.99,-.71,;6.31,.06,;6.31,1.6,;4.95,2.35,;7.63,2.37,;8.97,1.61,;8.98,.09,;7.65,-.71,;7.66,-2.25,;5,-2.26,;6.33,-3.02,)|
CN(C)CCOC(=O)CCCc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(-11.37,8.52,;-10.07,7.73,;-8.72,8.5,;-10.05,6.22,;-8.72,5.45,;-8.72,3.91,;-7.39,3.14,;-6.04,3.92,;-7.37,1.6,;-6.04,.84,;-6.04,-.7,;-4.69,-1.45,;-4.68,-3.02,;-3.35,-3.76,;-2.03,-3.01,;-.69,-3.76,;.64,-2.99,;.64,-1.45,;1.97,-.66,;3.3,-1.45,;4.63,-.66,;5.96,-1.43,;7.29,-.65,;8.62,-1.41,;8.63,-2.95,;9.95,-.65,;9.95,.9,;8.59,1.66,;7.28,.88,;5.93,1.65,;5.97,-2.99,;7.31,-3.74,;4.64,-3.76,;4.64,-5.3,;3.3,-2.99,;1.97,-3.76,;-2.02,-1.45,;-3.36,-.7,)|
Cn1c2nc(Nc3ccccc3)ncc2cc(-c2c(Br)cccc2Br)c1=O |(1.29,-3.48,;1.29,-1.94,;-.06,-1.17,;-1.39,-1.94,;-2.72,-1.17,;-4.05,-1.94,;-5.38,-1.17,;-5.38,.37,;-6.71,1.14,;-8.04,.34,;-8.03,-1.2,;-6.71,-1.97,;-2.72,.37,;-1.39,1.14,;-.06,.37,;1.27,1.16,;2.61,.39,;3.93,1.16,;5.26,.4,;5.28,-1.15,;6.59,1.18,;6.59,2.72,;5.23,3.48,;3.93,2.7,;2.57,3.45,;2.62,-1.15,;3.95,-1.92,)|
Cc1ccc(Cl)c(c1Cl)-c1cc2cnc(Nc3ccccc3)nc2n(C)c1=O |(5.05,4.83,;5.05,3.29,;6.4,2.54,;6.4,1,;5.07,.23,;5.09,-1.33,;3.74,.98,;3.74,2.54,;2.39,3.28,;2.41,.23,;1.08,.97,;-.25,.19,;-1.58,.97,;-2.91,.19,;-2.91,-1.34,;-4.24,-2.13,;-5.57,-1.36,;-6.9,-2.13,;-8.23,-1.38,;-8.23,.16,;-6.9,.95,;-5.57,.18,;-1.58,-2.12,;-.25,-1.34,;1.1,-2.12,;1.1,-3.65,;2.43,-1.34,;3.76,-2.08,)|
Cn1c2nc(Nc3ccccc3)ncc2cc(-c2c(Cl)cc(Cl)cc2Cl)c1=O |(1,-3.6,;1,-2.05,;-.33,-1.29,;-1.67,-2.08,;-3,-1.31,;-4.33,-2.08,;-5.69,-1.31,;-6.99,-2.08,;-8.32,-1.33,;-8.35,.23,;-7,1,;-5.66,.23,;-3,.23,;-1.67,1.02,;-.33,.26,;.99,1.02,;2.33,.27,;3.65,1.05,;3.64,2.58,;2.29,3.33,;4.95,3.36,;6.31,2.58,;7.64,3.38,;6.32,1.05,;4.99,.27,;4.99,-1.27,;2.33,-1.29,;3.67,-2.05,)|
COc1cc(OC)c(C)c(c1C)-c1cc2cnc(Nc3ccccc3)nc2n(C)c1=O |(5.67,5.48,;4.32,4.71,;4.36,3.15,;5.7,2.4,;5.7,.86,;7.05,.11,;7.05,-1.45,;4.37,.09,;4.37,-1.45,;3.04,.86,;3.02,2.37,;1.69,3.14,;1.71,.06,;.38,.83,;-.93,.05,;-2.28,.83,;-3.61,.04,;-3.61,-1.5,;-4.94,-2.27,;-6.28,-1.52,;-6.27,.04,;-7.62,.79,;-8.94,.04,;-8.93,-1.52,;-7.6,-2.27,;-2.28,-2.27,;-.93,-1.49,;.4,-2.26,;.4,-3.8,;1.71,-1.49,;3.06,-2.25,)|
CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(C)cccc4C)c(=O)n(C)c3n2)cc1 |(-5.69,4.01,;-7.02,4.78,;-8.35,4.01,;-9.7,4.78,;-11.03,4.01,;-8.35,2.47,;-7.02,1.7,;-7.02,.16,;-5.67,-.61,;-5.66,-2.15,;-4.33,-2.92,;-3.01,-2.13,;-1.67,-2.9,;-.34,-2.13,;-.34,-.59,;.99,.19,;2.32,-.59,;3.65,.2,;4.98,-.57,;6.31,.2,;6.31,1.74,;4.95,2.5,;7.61,2.51,;8.97,1.77,;8.97,.23,;7.64,-.56,;7.65,-2.1,;5,-2.11,;6.33,-2.88,;3.66,-2.9,;3.66,-4.44,;2.32,-2.12,;.99,-2.9,;-3,-.59,;-4.33,.18,)|
Cn1c2nc(Nc3ccccc3)ncc2cc(-c2c(Cl)ccc(CN)c2Cl)c1=O |(.89,-3.84,;.89,-2.31,;-.46,-1.53,;-1.8,-2.32,;-3.13,-1.55,;-4.46,-2.32,;-5.79,-1.56,;-5.79,-.02,;-7.12,.75,;-8.47,-.02,;-8.47,-1.57,;-7.12,-2.32,;-3.13,-.01,;-1.8,.79,;-.46,,;.86,.79,;2.2,.02,;3.53,.79,;4.87,.04,;4.88,-1.52,;6.2,.79,;6.19,2.35,;4.84,3.11,;4.83,4.65,;6.15,5.43,;3.53,2.33,;2.17,3.1,;2.22,-1.53,;3.55,-2.3,)|
[H][C@]12COc3cc(Nc4ncc5c(n4)n(-c4ccc(cn4)C(C)(C)O)n(CC=C)c5=O)ccc3N1CCN(C)C2 |r|
[H][C@@]12C[C@H](CN1c1ccc(Nc3ncc4c(n3)n(-c3ccc(cn3)C(C)(C)O)n(CC=C)c4=O)cc1OC2)N(C)C |r|
[H][C@@]12CN(CC3CC3)C[C@]1([H])CN(C2)c1ccc(Nc2ncc3c(n2)n(-c2ccc(cn2)C(C)(C)O)n(CC=C)c3=O)cc1 |r|
[H][C@@]12CN(C)C[C@]1([H])CN(C2)c1ccc(Nc2ncc3c(n2)n(-c2ccc(cn2)C(C)(C)O)n(CC=C)c3=O)cc1 |r|
CN1CCC2(CC1)CCN(CC2)c1ccc(Nc2ncc3cc(C4CC4)n(-c4cccc(n4)C(C)(C)O)c3n2)cc1
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2-c4cccc(n4)[C@@](C)(O)CCC\C=C/Cn2c3=O)cc1 |r,c:34|
CN1CC2CN(CC2C1)c1ccc(Nc2ncc3c(n2)n2-c4cccc(n4)C(C)(O)CCC\C=C/Cn2c3=O)cc1 |c:37|
Cc1ccc(O)cc1-n1c(N)c(C(N)=O)c2nc3ccccc3nc12 |(9.45,-34.75,;10.95,-35.07,;11.43,-36.54,;12.94,-36.86,;13.97,-35.71,;15.47,-36.03,;13.49,-34.25,;11.98,-33.93,;11.51,-32.46,;12.41,-31.22,;13.95,-31.22,;11.51,-29.97,;11.98,-28.51,;13.47,-28.11,;10.95,-27.36,;10.04,-30.45,;8.71,-29.68,;7.38,-30.45,;6.04,-29.68,;4.71,-30.45,;4.71,-31.99,;6.04,-32.76,;7.38,-31.99,;8.71,-32.76,;10.04,-31.99,)|
Cc1c(O)cccc1-n1c(N)c(C(N)=O)c2nc3ccccc3nc12 |(2.4,-2.98,;2.7,-1.78,;4.17,-1.35,;5.07,-2.2,;4.54,.14,;3.42,1.21,;1.95,.78,;1.59,-.72,;.08,-1.04,;-.55,-2.45,;.07,-3.52,;-2.08,-2.29,;-3.11,-3.44,;-4.31,-3.18,;-2.72,-4.61,;-2.4,-.78,;-3.73,-.01,;-3.73,1.53,;-5.07,2.3,;-5.07,3.84,;-3.73,4.61,;-2.4,3.84,;-2.4,2.3,;-1.06,1.53,;-1.06,-.01,)|
NC(=O)c1c(N)n(-c2cccc(O)c2)c2nc3ccccc3nc12
Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3ccccc3nc12 |(2.67,-2.98,;2.96,-1.78,;4.44,-1.35,;4.8,.14,;3.69,1.21,;3.98,2.41,;2.21,.78,;1.32,1.63,;1.85,-.72,;.34,-1.04,;-.28,-2.45,;.33,-3.52,;-1.81,-2.29,;-2.84,-3.43,;-4.05,-3.18,;-2.46,-4.61,;-2.13,-.78,;-3.47,-.01,;-3.47,1.53,;-4.8,2.3,;-4.8,3.84,;-3.47,4.61,;-2.13,3.84,;-2.13,2.3,;-.8,1.53,;-.8,-.01,)|
NC(=O)c1c(N)n(-c2cccc3[nH]ncc23)c2nc3ccccc3nc12 |(-4.3,-3.18,;-3.09,-3.43,;-2.71,-4.61,;-2.07,-2.29,;-.54,-2.45,;.08,-3.52,;.09,-1.04,;1.6,-.72,;1.96,.78,;3.44,1.21,;4.55,.14,;4.19,-1.35,;5.05,-2.62,;4.11,-3.84,;2.71,-3.32,;2.71,-1.78,;-1.05,-.01,;-1.05,1.53,;-2.39,2.3,;-2.39,3.84,;-3.72,4.61,;-5.05,3.84,;-5.05,2.3,;-3.72,1.53,;-3.72,-.01,;-2.39,-.78,)|
Cc1ccc2[nH]ncc2c1-n1c(N)c(C(N)=O)c2nc3ccccc3nc12 |(1.07,1.63,;1.96,.78,;3.44,1.21,;4.55,.14,;4.19,-1.35,;5.05,-2.62,;4.11,-3.84,;2.71,-3.32,;2.71,-1.78,;1.6,-.72,;.09,-1.04,;-.54,-2.45,;.08,-3.52,;-2.07,-2.29,;-3.09,-3.44,;-4.3,-3.18,;-2.71,-4.61,;-2.39,-.78,;-3.72,-.01,;-3.72,1.53,;-5.05,2.3,;-5.05,3.84,;-3.72,4.61,;-2.39,3.84,;-2.39,2.3,;-1.05,1.53,;-1.05,-.01,)|
Cc1ccc(O)c(Cl)c1-n1c(N)c(C(N)=O)c2nc3ccccc3nc12 |(2.67,-2.98,;2.96,-1.78,;4.44,-1.35,;4.8,.14,;3.69,1.21,;3.98,2.41,;2.21,.78,;1.32,1.63,;1.85,-.72,;.34,-1.04,;-.28,-2.45,;.33,-3.52,;-1.81,-2.29,;-2.84,-3.43,;-4.05,-3.18,;-2.46,-4.61,;-2.13,-.78,;-3.47,-.01,;-3.47,1.53,;-4.8,2.3,;-4.8,3.84,;-3.47,4.61,;-2.13,3.84,;-2.13,2.3,;-.8,1.53,;-.8,-.01,)|
Cc1c(O)ccc(Cl)c1-n1c(N)c(C(N)=O)c2nc3ccccc3nc12 |(1.32,1.63,;2.21,.78,;3.69,1.21,;3.98,2.41,;4.8,.14,;4.44,-1.35,;2.96,-1.78,;2.67,-2.98,;1.85,-.72,;.34,-1.04,;-.28,-2.45,;.33,-3.52,;-1.81,-2.29,;-2.84,-3.43,;-4.05,-3.18,;-2.46,-4.61,;-2.13,-.78,;-3.47,-.01,;-3.47,1.53,;-4.8,2.3,;-4.8,3.84,;-3.47,4.61,;-2.13,3.84,;-2.13,2.3,;-.8,1.53,;-.8,-.01,)|
NC(=O)c1c(N)n(-c2c(Cl)ccc(O)c2Cl)c2nc3ccccc3nc12 |(-4.05,-3.18,;-2.84,-3.44,;-2.46,-4.61,;-1.81,-2.29,;-.28,-2.45,;.33,-3.52,;.34,-1.04,;1.85,-.72,;2.96,-1.78,;2.67,-2.98,;4.44,-1.35,;4.8,.14,;3.69,1.21,;3.98,2.41,;2.21,.78,;1.32,1.63,;-.8,-.01,;-.8,1.53,;-2.13,2.3,;-2.13,3.84,;-3.47,4.61,;-4.8,3.84,;-4.8,2.3,;-3.47,1.53,;-3.47,-.01,;-2.13,-.78,)|
CCCc1cc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc2n1-c1cccc(N=S(C)(C)=O)n1
CN1CCN(CC1)c1ccc(Nc2ncc3cc(C)n(-c4cccc(N=S(C)(C)=O)n4)c3n2)cc1
CCc1cc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc2n1-c1cccc(N=S(C)(C)=O)n1
CC(C)c1cc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc2n1-c1cccc(N=S(C)(C)=O)n1
CN1CCN(CC1)c1ccc(Nc2ncc3cc(C4CC4)n(-c4cccc(N=S(C)(C)=O)n4)c3n2)cc1
COCc1cc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc2n1-c1cccc(N=S(C)(C)=O)n1
CCCc1cc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc2n1-c1cccc(n1)C(C)(C)O
CN1CCN(CC1)c1ccc(Nc2ncc3cc(C)n(-c4cccc(n4)C(C)(C)O)c3n2)cc1
CCc1cc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc2n1-c1cccc(n1)C(C)(C)O
CC(C)c1cc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc2n1-c1cccc(n1)C(C)(C)O
CCCc1cc2cnc(Nc3ccc(cc3)N3CCOCC3)nc2n1-c1cccc(N=S(C)(C)=O)n1
CCCc1cc2cnc(Nc3ccc(cc3)N3CCC(CC3)N3CCN(C)CC3)nc2n1-c1cccc(N=S(C)(C)=O)n1
CN1CCN(CC1)C1CCN(CC1)c1ccc(Nc2ncc3cc(C4CC4)n(-c4cccc(N=S(C)(C)=O)n4)c3n2)cc1
CN1CCN(CC1)c1ccc(Nc2ncc3cc(C4CC4)n(-c4cccc(N=S(C)(C)=O)n4)c3n2)cc1F
CN1CCN(CC1)C1CCN(CC1)c1ccc(Nc2ncc3cc(C4CC4)n(-c4cccc(n4)C(C)(C)O)c3n2)cc1
CCCc1c(F)c2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc2n1-c1cccc(N=S(C)(C)=O)n1
CCCc1c(F)c2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc2n1-c1cccc(n1)C(C)(C)O
CCCc1c(F)c2cnc(Nc3ccc(cc3)N3CCOCC3)nc2n1-c1cccc(N=S(C)(C)=O)n1
CN1CCN(CC1)c1ccc(Nc2ncc3c(F)c(C4CC4)n(-c4cccc(n4)C(C)(C)O)c3n2)cc1
CN1CCN(CC1)C1CCN(CC1)c1ccc(Nc2ncc3c(F)c(C4CC4)n(-c4cccc(n4)C(C)(C)O)c3n2)cc1
CN1CCN(CC1)C1CCN(CC1)c1ccc(Nc2ncc3c(F)c(C4CC4)n(-c4cccc(n4)C(C)(C)O)c3n2)cc1F
Oc1ccc2c(c1)[nH]c1cc(c3C(=O)NC(=O)c3c21)-c1ccccc1
Oc1cccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c12)-c1ccccc1
Oc1ccc2[nH]c3cc(c4C(=O)NCc4c3c2c1)-c1ccccc1
Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1
COc1ccc(N)cc1-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccc(cc1)C#N
Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1F
Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1-c1ccccc1
COc1cccc(c1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
COc1ccc(cc1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Nc1cccc(c1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Oc1ccc2sc3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1
Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1cccc(c1)[N+]([O-])=O
CCc1c(c2C(=O)NC(=O)c2c2c1[nH]c1ccc(O)cc21)-c1ccccc1
CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Cc1cccc(c1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Cc1c(c2C(=O)NC(=O)c2c2c1[nH]c1ccc(O)cc21)-c1ccccc1
Oc1ccc2[nH]c3cc(C4CCNC4)c4C(=O)NC(=O)c4c3c2c1
Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Oc1ccc2oc3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Oc1ccc(c(Cl)c1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Cc1ccccc1-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1c(Cl)ccc(O)c1Cl |(-8.42,-23.21,;-7.09,-23.98,;-7.09,-25.52,;-5.76,-26.29,;-4.43,-25.52,;-2.95,-26,;-2.05,-24.75,;-.51,-24.59,;.12,-23.18,;-.8,-21.93,;-.48,-20.43,;.93,-19.81,;-1.81,-19.66,;-2.95,-20.68,;-4.45,-20.36,;-2.33,-22.09,;-2.95,-23.49,;-4.43,-23.97,;-5.76,-23.21,;1.64,-23.01,;2.26,-21.61,;1.35,-20.37,;3.79,-21.44,;4.7,-22.69,;4.08,-24.1,;4.99,-25.34,;2.55,-24.26,;1.93,-25.67,)|
CC(=O)c1cccc(c1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Oc1ccc2[nH]c3cc(I)c4C(=O)NC(=O)c4c3c2c1
Nc1ccc(Cl)c(c1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
COc1cccc(OC)c1-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12 |(18.36,-14.01,;19.89,-13.84,;20.51,-12.44,;22.04,-12.27,;22.67,-10.86,;21.75,-9.62,;20.22,-9.79,;19.31,-8.55,;19.93,-7.14,;19.61,-11.19,;18.09,-11.36,;17.45,-12.77,;15.92,-12.93,;15.01,-14.18,;13.54,-13.7,;12.2,-14.47,;10.87,-13.7,;10.87,-12.16,;9.54,-11.39,;12.2,-11.39,;13.53,-12.15,;15.01,-11.67,;15.64,-10.26,;15.01,-8.86,;13.51,-8.54,;16.16,-7.83,;17.49,-8.61,;18.89,-7.98,;17.16,-10.11,)|
CC(=O)c1ccc(cc1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1cccc(O)c1Cl
Cc1ccc(cc1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
CCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
COc1cc(N)ccc1-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
NN1C(=O)c2c(C1=O)c1c(cc2-c2ccccc2)[nH]c2ccc(O)cc12
NC(=O)c1ccccc1-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
OCc1ccc(cc1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1cccc(c1)C(F)(F)F
Cn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
OCc1ccccc1-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
CC(=O)c1ccccc1-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1cccc(Cl)c1
OC1NC(=O)c2c1c1c(cc2-c2ccccc2)[nH]c2ccc(O)cc12
COC1NC(=O)c2c1c1c(cc2-c2ccccc2)[nH]c2ccc(O)cc12
Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1cccc(c1)C#N
Cc1c2C(=O)NC(=O)c2c2c([nH]c3ccc(O)cc23)c1-c1ccccc1
OC1NC(=O)c2c1c(cc1[nH]c3ccc(O)cc3c21)-c1ccccc1
Oc1ccc2[nH]c3c(cc4C(=O)NC(=O)c4c3c2c1)-c1ccccc1
Nc1ccc(cc1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Nc1cccc(c1Cl)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
CS(=O)c1ccccc1-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Oc1ccc2[nH]c3cc(c4C(=O)OC(=O)c4c3c2c1)-c1ccccc1
Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1C(F)(F)F
Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1c(Cl)cc(O)cc1Cl |(7.99,-23.45,;9.33,-24.22,;9.32,-25.76,;10.66,-26.53,;11.99,-25.76,;13.46,-26.24,;14.37,-24.99,;15.91,-24.83,;16.54,-23.42,;15.62,-22.17,;15.94,-20.66,;17.35,-20.04,;14.61,-19.89,;13.47,-20.92,;11.96,-20.6,;14.09,-22.32,;13.46,-23.73,;11.99,-24.21,;10.65,-23.45,;18.06,-23.25,;18.68,-21.85,;17.77,-20.61,;20.21,-21.68,;21.12,-22.92,;22.65,-22.76,;20.5,-24.33,;18.97,-24.5,;18.35,-25.9,)|
Oc1ccc2[nH]c3cc(-c4cccs4)c4C(=O)NC(=O)c4c3c2c1
Oc1ccc2[nH]c3cc(-c4cc[nH]c4)c4C(=O)NC(=O)c4c3c2c1
OCc1cccc(c1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1C#N
CS(=O)c1ccc(cc1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Nc1ccc(c(Cl)c1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccc(F)cc1
Nc1ccccc1-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccc(Cl)cc1
Cn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1
CSc1ccc(cc1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1cccc(Cl)c1Cl
Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1cccc(F)c1
CN1C(=O)c2c(C1=O)c1c(cc2-c2ccccc2)n(C)c2ccc(O)cc12
Cc1cccc(C)c1-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12 |(19.86,-2.13,;20.49,-.72,;22.02,-.56,;22.64,.85,;21.72,2.1,;20.2,1.93,;19.29,3.17,;19.58,.52,;18.06,.36,;17.42,-1.06,;15.89,-1.21,;14.98,-2.47,;13.5,-1.99,;12.17,-2.76,;10.84,-1.99,;10.84,-.44,;9.51,.33,;12.17,.33,;13.5,-.44,;14.98,.04,;15.61,1.45,;14.98,2.86,;13.48,3.18,;16.13,3.88,;17.46,3.11,;18.86,3.73,;17.13,1.61,)|
Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1O
Cc1ccc(C)c(c1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
CCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Oc1ccc(Cl)c(c1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Oc1ccc2oc3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1
Oc1ccc2[nH]c3cc(-c4ccc[nH]4)c4C(=O)NC(=O)c4c3c2c1
Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1cccc(c1)-c1ccccc1
Cc1cccc(c1C)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Oc1ccc2[nH]c3c(-c4ccccc4)c(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1
Oc1ccc2[nH]c3cc(-c4ccsc4)c4C(=O)NC(=O)c4c3c2c1
Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1I
CSc1ccccc1-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
COc1ccccc1-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
CC(C)n1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
CC(C)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccc(cc1)C(F)(F)F
Oc1ccc(cc1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Oc1ccc2[nH]c3ccc4C(=O)NC(=O)c4c3c2c1
NCc1cccc(c1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
COc1cccc(Cl)c1-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12 |(32.88,-28.65,;32.26,-30.06,;33.17,-31.3,;34.7,-31.13,;35.61,-32.38,;34.99,-33.79,;33.46,-33.95,;32.84,-35.36,;32.55,-32.7,;31.03,-32.87,;30.4,-34.28,;28.86,-34.44,;27.96,-35.69,;26.48,-35.21,;25.15,-35.98,;23.82,-35.21,;23.82,-33.67,;22.49,-32.9,;25.15,-32.9,;26.48,-33.66,;27.96,-33.18,;28.58,-31.78,;27.96,-30.37,;26.46,-30.05,;29.1,-29.35,;30.43,-30.12,;31.84,-29.5,;30.11,-31.62,)|
Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Br
CCOc1ccccc1-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Oc1cccc(c1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1c(Br)cccc1Br |(7.66,-44.93,;8.99,-45.7,;8.99,-47.24,;10.32,-48.02,;11.65,-47.25,;13.13,-47.72,;14.03,-46.47,;15.57,-46.31,;16.2,-44.9,;15.28,-43.65,;15.6,-42.15,;17.01,-41.53,;14.27,-41.38,;13.13,-42.4,;11.63,-42.08,;13.75,-43.81,;13.13,-45.22,;11.65,-45.69,;10.32,-44.93,;17.72,-44.74,;18.63,-45.98,;18.01,-47.39,;20.16,-45.82,;20.78,-44.41,;19.87,-43.16,;18.34,-43.33,;17.43,-42.09,)|
Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccncc1
Oc1ccc2[nH]c3cc(C4CCCNC4)c4C(=O)NC(=O)c4c3c2c1
CCc1ccccc1-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
CCCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
COc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1[N+]([O-])=O
Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1cc(Cl)ccc1Cl
Nc1ccc(c(Br)c1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1cccnc1
COc1cccc(F)c1-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12 |(35.24,-13.49,;36.77,-13.32,;37.4,-11.92,;38.93,-11.75,;39.55,-10.34,;38.63,-9.1,;37.11,-9.27,;36.2,-8.03,;36.49,-10.67,;34.97,-10.84,;34.34,-12.25,;32.8,-12.41,;31.89,-13.66,;30.42,-13.18,;29.09,-13.95,;27.75,-13.18,;27.76,-11.64,;26.42,-10.87,;29.08,-10.87,;30.42,-11.63,;31.89,-11.15,;32.52,-9.74,;31.9,-8.34,;30.39,-8.02,;33.04,-7.31,;34.37,-8.08,;35.78,-7.46,;34.05,-9.59,)|
Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1c(Cl)cccc1Cl |(-8.44,-32.87,;-7.11,-33.63,;-7.11,-35.18,;-5.78,-35.95,;-4.44,-35.18,;-2.97,-35.66,;-2.06,-34.4,;-.53,-34.25,;.11,-32.83,;-.82,-31.58,;-.49,-30.08,;.91,-29.46,;-1.82,-29.31,;-2.97,-30.34,;-4.47,-30.01,;-2.34,-31.74,;-2.97,-33.15,;-4.44,-33.63,;-5.78,-32.86,;1.63,-32.67,;2.53,-33.91,;1.91,-35.32,;4.06,-33.75,;4.69,-32.34,;3.77,-31.09,;2.25,-31.27,;1.33,-30.02,)|
Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1c(O)cccc1Cl |(7.55,-32.91,;8.88,-33.68,;8.88,-35.22,;10.21,-36,;11.55,-35.22,;13.02,-35.7,;13.92,-34.45,;15.46,-34.29,;16.1,-32.88,;15.17,-31.63,;15.5,-30.13,;16.9,-29.51,;14.17,-29.36,;13.02,-30.38,;11.52,-30.06,;13.65,-31.79,;13.02,-33.19,;11.54,-33.67,;10.21,-32.91,;17.62,-32.71,;18.23,-31.31,;17.32,-30.07,;19.76,-31.14,;20.68,-32.39,;20.05,-33.8,;18.52,-33.96,;17.9,-35.37,)|
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(CO)n2)n(CC=C)c3=O)cc1
CCOC(=O)N1CCc2c(C1)sc1nc(SCC(=O)c3ccccc3)n(N)c(=O)c21
CN1CCN(CC1)c1ccc(Nc2cc3ncn(-c4c(Cl)cccc4Cl)c(=O)c3cn2)cc1 |(-10,2.69,;-8.67,1.92,;-8.67,.38,;-7.34,-.38,;-6,.38,;-6,1.92,;-7.34,2.69,;-4.67,-.38,;-4.67,-1.92,;-3.33,-2.69,;-2,-1.92,;-.67,-2.69,;.67,-1.92,;2,-2.69,;3.33,-1.92,;4.67,-2.69,;6,-1.92,;6,-.38,;7.34,.38,;8.67,-.38,;8.67,-1.92,;10,.38,;10,1.92,;8.67,2.69,;7.34,1.92,;6,2.69,;4.67,.38,;4.67,1.92,;3.33,-.38,;2,.38,;.67,-.38,;-2,-.38,;-3.33,.38,)|
CN1CCN(CC1)c1ccc(Nc2cc3ncn(-c4c(F)cccc4Cl)c(=O)c3cn2)cc1 |(-10,2.69,;-8.67,1.92,;-8.67,.38,;-7.34,-.38,;-6,.38,;-6,1.92,;-7.34,2.69,;-4.67,-.38,;-4.67,-1.92,;-3.33,-2.69,;-2,-1.92,;-.67,-2.69,;.67,-1.92,;2,-2.69,;3.33,-1.92,;4.67,-2.69,;6,-1.92,;6,-.38,;7.34,.38,;8.67,-.38,;8.67,-1.92,;10,.38,;10,1.92,;8.67,2.69,;7.34,1.92,;6,2.69,;4.67,.38,;4.67,1.92,;3.33,-.38,;2,.38,;.67,-.38,;-2,-.38,;-3.33,.38,)|
CN1CCN(CC1)c1ccc(Nc2cc3ncn(-c4c(C)cccc4Cl)c(=O)c3cn2)cc1 |(-10,2.69,;-8.67,1.92,;-8.67,.38,;-7.34,-.38,;-6,.38,;-6,1.92,;-7.34,2.69,;-4.67,-.38,;-4.67,-1.92,;-3.33,-2.69,;-2,-1.92,;-.67,-2.69,;.67,-1.92,;2,-2.69,;3.33,-1.92,;4.67,-2.69,;6,-1.92,;6,-.38,;7.34,.38,;8.67,-.38,;8.67,-1.92,;10,.38,;10,1.92,;8.67,2.69,;7.34,1.92,;6,2.69,;4.67,.38,;4.67,1.92,;3.33,-.38,;2,.38,;.67,-.38,;-2,-.38,;-3.33,.38,)|
CN1CCN(CC1)c1ccc(Nc2cc3ncn(-c4ccccc4F)c(=O)c3cn2)cc1
Clc1cccc(Cl)c1-n1cnc2cc(Nc3ccc(cc3)C3CCNCC3)ncc2c1=O |(8,-1.92,;8,-.38,;9.34,.38,;9.34,1.92,;8,2.69,;6.67,1.92,;5.34,2.69,;6.67,.38,;5.34,-.38,;5.34,-1.92,;4,-2.69,;2.67,-1.92,;1.33,-2.69,;,-1.92,;-1.33,-2.69,;-2.67,-1.92,;-4,-2.69,;-5.34,-1.92,;-5.34,-.38,;-4,.38,;-2.67,-.38,;-6.67,.38,;-6.67,1.92,;-8,2.69,;-9.34,1.92,;-9.34,.38,;-8,-.38,;,-.38,;1.33,.38,;2.67,-.38,;4,.38,;4,1.92,)|
Clc1cccc(Cl)c1-n1cnc2cc(Nc3ccc(NC4CCNCC4)cc3)ncc2c1=O |(8.67,-1.92,;8.67,-.38,;10,.38,;10,1.92,;8.67,2.69,;7.34,1.92,;6,2.69,;7.34,.38,;6,-.38,;6,-1.92,;4.67,-2.69,;3.34,-1.92,;2,-2.69,;.67,-1.92,;-.67,-2.69,;-2,-1.92,;-3.33,-2.69,;-4.67,-1.92,;-4.67,-.38,;-6,.38,;-7.34,-.38,;-8.67,.38,;-10,-.38,;-10,-1.92,;-8.67,-2.69,;-7.34,-1.92,;-3.33,.38,;-2,-.38,;.67,-.38,;2,.38,;3.34,-.38,;4.67,.38,;4.67,1.92,)|
CN1CCC(CC1)Nc1ccc(Nc2cc3ncn(-c4c(Cl)cccc4Cl)c(=O)c3cn2)cc1 |(-10.67,-2.69,;-9.34,-1.92,;-9.34,-.38,;-8,.38,;-6.67,-.38,;-6.67,-1.92,;-8,-2.69,;-5.34,.38,;-4,-.38,;-4,-1.92,;-2.67,-2.69,;-1.33,-1.92,;,-2.69,;1.33,-1.92,;2.67,-2.69,;4,-1.92,;5.34,-2.69,;6.67,-1.92,;6.67,-.38,;8,.38,;9.34,-.38,;9.34,-1.92,;10.67,.38,;10.67,1.92,;9.34,2.69,;8,1.92,;6.67,2.69,;5.34,.38,;5.34,1.92,;4,-.38,;2.67,.38,;1.33,-.38,;-1.33,-.38,;-2.67,.38,)|
CN1CCC(CC1)Oc1ccc(Nc2cc3ncn(-c4c(Cl)cccc4Cl)c(=O)c3cn2)cc1 |(-10.67,-2.69,;-9.34,-1.92,;-9.34,-.38,;-8,.38,;-6.67,-.38,;-6.67,-1.92,;-8,-2.69,;-5.34,.38,;-4,-.38,;-4,-1.92,;-2.67,-2.69,;-1.33,-1.92,;,-2.69,;1.33,-1.92,;2.67,-2.69,;4,-1.92,;5.34,-2.69,;6.67,-1.92,;6.67,-.38,;8,.38,;9.34,-.38,;9.34,-1.92,;10.67,.38,;10.67,1.92,;9.34,2.69,;8,1.92,;6.67,2.69,;5.34,.38,;5.34,1.92,;4,-.38,;2.67,.38,;1.33,-.38,;-1.33,-.38,;-2.67,.38,)|
CN1CCN(Cc2ccc(Nc3cc4ncn(-c5c(Cl)cccc5Cl)c(=O)c4cn3)cc2)CC1 |(-10.67,-2.69,;-9.34,-1.92,;-8,-2.69,;-6.67,-1.92,;-6.67,-.38,;-5.34,.38,;-4,-.38,;-4,-1.92,;-2.67,-2.69,;-1.33,-1.92,;,-2.69,;1.33,-1.92,;2.67,-2.69,;4,-1.92,;5.34,-2.69,;6.67,-1.92,;6.67,-.38,;8,.38,;9.34,-.38,;9.34,-1.92,;10.67,.38,;10.67,1.92,;9.34,2.69,;8,1.92,;6.67,2.69,;5.34,.38,;5.34,1.92,;4,-.38,;2.67,.38,;1.33,-.38,;-1.33,-.38,;-2.67,.38,;-8,.38,;-9.34,-.38,)|
NC1CCN(CC1)c1ccc(Nc2cc3ncn(-c4c(Cl)cccc4Cl)c(=O)c3cn2)cc1 |(-9.98,2.69,;-8.7,1.92,;-8.7,.38,;-7.36,-.38,;-6.03,.38,;-6.03,1.92,;-7.36,2.69,;-4.69,-.38,;-4.69,-1.92,;-3.36,-2.69,;-2.03,-1.92,;-.69,-2.69,;.64,-1.92,;1.98,-2.69,;3.31,-1.92,;4.64,-2.69,;5.98,-1.92,;5.98,-.38,;7.31,.38,;8.65,-.38,;8.65,-1.92,;9.98,.38,;9.98,1.92,;8.65,2.69,;7.31,1.92,;5.98,2.69,;4.64,.38,;4.64,1.92,;3.31,-.38,;1.98,.38,;.64,-.38,;-2.03,-.38,;-3.36,.38,)|
NCC1CCN(CC1)c1ccc(Nc2cc3ncn(-c4c(Cl)cccc4Cl)c(=O)c3cn2)cc1 |(-10.65,1.92,;-9.36,2.69,;-8.03,1.92,;-8.03,.38,;-6.7,-.38,;-5.36,.38,;-5.36,1.92,;-6.7,2.69,;-4.03,-.38,;-4.03,-1.92,;-2.69,-2.69,;-1.36,-1.92,;-.03,-2.69,;1.31,-1.92,;2.64,-2.69,;3.98,-1.92,;5.31,-2.69,;6.64,-1.92,;6.64,-.38,;7.98,.38,;9.31,-.38,;9.31,-1.92,;10.65,.38,;10.65,1.92,;9.31,2.69,;7.98,1.92,;6.64,2.69,;5.31,.38,;5.31,1.92,;3.98,-.38,;2.64,.38,;1.31,-.38,;-1.36,-.38,;-2.69,.38,)|
N[C@H]1CCCN(C1)c1ccc(Nc2cc3ncn(-c4c(Cl)cccc4Cl)c(=O)c3cn2)cc1 |r,wU:1.0,(-9.98,-.38,;-8.7,.38,;-8.7,1.92,;-7.36,2.69,;-6.03,1.92,;-6.03,.38,;-7.36,-.38,;-4.69,-.38,;-4.69,-1.92,;-3.36,-2.69,;-2.03,-1.92,;-.69,-2.69,;.64,-1.92,;1.98,-2.69,;3.31,-1.92,;4.64,-2.69,;5.98,-1.92,;5.98,-.38,;7.31,.38,;8.65,-.38,;8.65,-1.92,;9.98,.38,;9.98,1.92,;8.65,2.69,;7.31,1.92,;5.98,2.69,;4.64,.38,;4.64,1.92,;3.31,-.38,;1.98,.38,;.64,-.38,;-2.03,-.38,;-3.36,.38,)|
N[C@@H]1CCCN(C1)c1ccc(Nc2cc3ncn(-c4c(Cl)cccc4Cl)c(=O)c3cn2)cc1 |r,wD:1.0,(-9.98,-.38,;-8.7,.38,;-8.7,1.92,;-7.36,2.69,;-6.03,1.92,;-6.03,.38,;-7.36,-.38,;-4.69,-.38,;-4.69,-1.92,;-3.36,-2.69,;-2.03,-1.92,;-.69,-2.69,;.64,-1.92,;1.98,-2.69,;3.31,-1.92,;4.64,-2.69,;5.98,-1.92,;5.98,-.38,;7.31,.38,;8.65,-.38,;8.65,-1.92,;9.98,.38,;9.98,1.92,;8.65,2.69,;7.31,1.92,;5.98,2.69,;4.64,.38,;4.64,1.92,;3.31,-.38,;1.98,.38,;.64,-.38,;-2.03,-.38,;-3.36,.38,)|
N[C@H]1CCN(C1)c1ccc(Nc2cc3ncn(-c4c(Cl)cccc4Cl)c(=O)c3cn2)cc1 |r,wU:1.0,(-9.98,.74,;-8.44,.95,;-7.67,2.28,;-6.18,1.92,;-6.03,.38,;-7.41,-.23,;-4.69,-.38,;-4.69,-1.92,;-3.36,-2.69,;-2.03,-1.92,;-.69,-2.69,;.64,-1.92,;1.98,-2.69,;3.31,-1.92,;4.64,-2.69,;5.98,-1.92,;5.98,-.38,;7.31,.38,;8.64,-.38,;8.64,-1.92,;9.98,.38,;9.98,1.92,;8.64,2.69,;7.31,1.92,;5.98,2.69,;4.64,.38,;4.64,1.92,;3.31,-.38,;1.98,.38,;.64,-.38,;-2.03,-.38,;-3.36,.38,)|
N[C@@H]1CCN(C1)c1ccc(Nc2cc3ncn(-c4c(Cl)cccc4Cl)c(=O)c3cn2)cc1 |r,wD:1.0,(-9.98,.74,;-8.44,.95,;-7.67,2.28,;-6.18,1.92,;-6.03,.38,;-7.41,-.23,;-4.69,-.38,;-4.69,-1.92,;-3.36,-2.69,;-2.03,-1.92,;-.69,-2.69,;.64,-1.92,;1.98,-2.69,;3.31,-1.92,;4.64,-2.69,;5.98,-1.92,;5.98,-.38,;7.31,.38,;8.64,-.38,;8.64,-1.92,;9.98,.38,;9.98,1.92,;8.64,2.69,;7.31,1.92,;5.98,2.69,;4.64,.38,;4.64,1.92,;3.31,-.38,;1.98,.38,;.64,-.38,;-2.03,-.38,;-3.36,.38,)|
CN(C)C1CCN(CC1)c1ccc(Nc2cc3ncn(-c4c(Cl)cccc4Cl)c(=O)c3cn2)cc1 |(-9.34,3.46,;-9.34,1.92,;-10.67,1.15,;-8,1.15,;-8,-.38,;-6.67,-1.15,;-5.34,-.38,;-5.34,1.15,;-6.67,1.92,;-4,-1.15,;-4,-2.69,;-2.67,-3.46,;-1.33,-2.69,;,-3.46,;1.33,-2.69,;2.67,-3.46,;4,-2.69,;5.34,-3.46,;6.67,-2.69,;6.67,-1.15,;8,-.38,;9.34,-1.15,;9.34,-2.69,;10.67,-.38,;10.67,1.15,;9.34,1.92,;8,1.15,;6.67,1.92,;5.34,-.38,;5.34,1.15,;4,-1.15,;2.67,-.38,;1.33,-1.15,;-1.33,-1.15,;-2.67,-.38,)|
Clc1cccc(Cl)c1-n1cnc2cc(Nc3ccc(cc3)N3CCNCC3)ncc2c1=O |(8,-1.92,;8,-.38,;9.34,.38,;9.34,1.92,;8,2.69,;6.67,1.92,;5.34,2.69,;6.67,.38,;5.34,-.38,;5.34,-1.92,;4,-2.69,;2.67,-1.92,;1.33,-2.69,;,-1.92,;-1.33,-2.69,;-2.67,-1.92,;-4,-2.69,;-5.34,-1.92,;-5.34,-.38,;-4,.38,;-2.67,-.38,;-6.67,.38,;-8,-.38,;-9.34,.38,;-9.34,1.92,;-8,2.69,;-6.67,1.92,;,-.38,;1.33,.38,;2.67,-.38,;4,.38,;4,1.92,)|
CCN1CCN(CC1)c1ccc(Nc2cc3ncn(-c4c(Cl)cccc4Cl)c(=O)c3cn2)cc1 |(-10.67,1.92,;-9.34,2.69,;-8,1.92,;-8,.38,;-6.67,-.38,;-5.34,.38,;-5.34,1.92,;-6.67,2.69,;-4,-.38,;-4,-1.92,;-2.67,-2.69,;-1.33,-1.92,;,-2.69,;1.33,-1.92,;2.67,-2.69,;4,-1.92,;5.34,-2.69,;6.67,-1.92,;6.67,-.38,;8,.38,;9.34,-.38,;9.34,-1.92,;10.67,.38,;10.67,1.92,;9.34,2.69,;8,1.92,;6.67,2.69,;5.34,.38,;5.34,1.92,;4,-.38,;2.67,.38,;1.33,-.38,;-1.33,-.38,;-2.67,.38,)|
CC(C)N1CCN(CC1)c1ccc(Nc2cc3ncn(-c4c(Cl)cccc4Cl)c(=O)c3cn2)cc1 |(-9.34,3.46,;-9.34,1.92,;-10.67,1.15,;-8,1.15,;-8,-.38,;-6.67,-1.15,;-5.34,-.38,;-5.34,1.15,;-6.67,1.92,;-4,-1.15,;-4,-2.69,;-2.67,-3.46,;-1.33,-2.69,;,-3.46,;1.33,-2.69,;2.67,-3.46,;4,-2.69,;5.34,-3.46,;6.67,-2.69,;6.67,-1.15,;8,-.38,;9.34,-1.15,;9.34,-2.69,;10.67,-.38,;10.67,1.15,;9.34,1.92,;8,1.15,;6.67,1.92,;5.34,-.38,;5.34,1.15,;4,-1.15,;2.67,-.38,;1.33,-1.15,;-1.33,-1.15,;-2.67,-.38,)|
Clc1cccc(Cl)c1-n1cnc2cc(Nc3ccc(cc3)N3CCN(CC3)C3CC3)ncc2c1=O |(9.44,-2.59,;9.44,-1.05,;10.77,-.28,;10.77,1.26,;9.44,2.03,;8.11,1.26,;6.77,2.03,;8.11,-.28,;6.77,-1.05,;6.77,-2.59,;5.44,-3.36,;4.1,-2.59,;2.77,-3.36,;1.44,-2.59,;.1,-3.36,;-1.23,-2.59,;-2.57,-3.36,;-3.9,-2.59,;-3.9,-1.05,;-2.57,-.28,;-1.23,-1.05,;-5.23,-.28,;-6.57,-1.05,;-7.9,-.28,;-7.9,1.26,;-6.57,2.03,;-5.23,1.26,;-9.24,2.03,;-10.77,2.03,;-10,3.36,;1.44,-1.05,;2.77,-.28,;4.1,-1.05,;5.44,-.28,;5.44,1.26,)|
OCCN1CCN(CC1)c1ccc(Nc2cc3ncn(-c4c(Cl)cccc4Cl)c(=O)c3cn2)cc1 |(-11.31,2.69,;-9.98,1.92,;-8.65,2.69,;-7.31,1.92,;-7.31,.38,;-6.03,-.38,;-4.69,.38,;-4.69,1.92,;-6.03,2.69,;-3.36,-.38,;-3.36,-1.92,;-2.03,-2.69,;-.69,-1.92,;.64,-2.69,;1.98,-1.92,;3.31,-2.69,;4.64,-1.92,;5.98,-2.69,;7.31,-1.92,;7.31,-.38,;8.65,.38,;9.98,-.38,;9.98,-1.92,;11.31,.38,;11.31,1.92,;9.98,2.69,;8.65,1.92,;7.31,2.69,;5.98,.38,;5.98,1.92,;4.64,-.38,;3.31,.38,;1.98,-.38,;-.69,-.38,;-2.03,.38,)|
C[C@H]1CN(C[C@@H](C)N1)c1ccc(Nc2cc3ncn(-c4c(Cl)cccc4Cl)c(=O)c3cn2)cc1 |r,wD:5.5,1.0,(-9.98,-1.15,;-8.64,-.38,;-7.31,-1.15,;-5.98,-.38,;-5.98,1.15,;-7.31,1.92,;-7.31,3.46,;-8.64,1.15,;-4.64,-1.15,;-4.64,-2.69,;-3.31,-3.46,;-1.98,-2.69,;-.64,-3.46,;.69,-2.69,;2.03,-3.46,;3.36,-2.69,;4.69,-3.46,;6.03,-2.69,;6.03,-1.15,;7.31,-.38,;8.64,-1.15,;8.64,-2.69,;9.98,-.38,;9.98,1.15,;8.64,1.92,;7.31,1.15,;6.03,1.92,;4.69,-.38,;4.69,1.15,;3.36,-1.15,;2.03,-.38,;.69,-1.15,;-1.98,-1.15,;-3.31,-.38,)|
Clc1cccc(Cl)c1-n1cnc2cc(Nc3ccc(N[C@@H]4CN5CCC4CC5)cc3)ncc2c1=O |r,wU:20.20,(8.67,-1.92,;8.67,-.38,;10.01,.38,;10.01,1.92,;8.67,2.69,;7.34,1.92,;6,2.69,;7.34,.38,;6,-.38,;6,-1.92,;4.67,-2.69,;3.34,-1.92,;2,-2.69,;.67,-1.92,;-.67,-2.69,;-2,-1.92,;-3.34,-2.69,;-4.67,-1.92,;-4.67,-.38,;-6,.38,;-7.34,-.38,;-8.67,.38,;-10.01,-.38,;-9.49,-1.41,;-8.52,-1.98,;-7.34,-1.92,;-8.67,-2.69,;-10.01,-1.92,;-3.34,.38,;-2,-.38,;.67,-.38,;2,.38,;3.34,-.38,;4.67,.38,;4.67,1.92,)|
CC(=O)N1CCN(CC1)c1ccc(Nc2cc3ncn(-c4c(Cl)cccc4Cl)c(=O)c3cn2)cc1 |(-10.67,1.15,;-9.34,1.92,;-9.34,3.46,;-8,1.15,;-8,-.38,;-6.67,-1.15,;-5.34,-.38,;-5.34,1.15,;-6.67,1.92,;-4,-1.15,;-4,-2.69,;-2.67,-3.46,;-1.33,-2.69,;,-3.46,;1.33,-2.69,;2.67,-3.46,;4,-2.69,;5.34,-3.46,;6.67,-2.69,;6.67,-1.15,;8,-.38,;9.34,-1.15,;9.34,-2.69,;10.67,-.38,;10.67,1.15,;9.34,1.92,;8,1.15,;6.67,1.92,;5.34,-.38,;5.34,1.15,;4,-1.15,;2.67,-.38,;1.33,-1.15,;-1.33,-1.15,;-2.67,-.38,)|
OC1CCN(CC1)c1ccc(Nc2cc3ncn(-c4c(Cl)cccc4Cl)c(=O)c3cn2)cc1 |(-9.98,2.69,;-8.65,1.92,;-8.65,.38,;-7.31,-.38,;-6.03,.38,;-6.03,1.92,;-7.31,2.69,;-4.69,-.38,;-4.69,-1.92,;-3.36,-2.69,;-2.03,-1.92,;-.69,-2.69,;.64,-1.92,;1.98,-2.69,;3.31,-1.92,;4.64,-2.69,;5.98,-1.92,;5.98,-.38,;7.31,.38,;8.65,-.38,;8.65,-1.92,;9.98,.38,;9.98,1.92,;8.65,2.69,;7.31,1.92,;5.98,2.69,;4.64,.38,;4.64,1.92,;3.31,-.38,;1.98,.38,;.64,-.38,;-2.03,-.38,;-3.36,.38,)|
OCC1CCN(CC1)c1ccc(Nc2cc3ncn(-c4c(Cl)cccc4Cl)c(=O)c3cn2)cc1 |(-10.65,1.92,;-9.31,2.69,;-7.98,1.92,;-7.98,.38,;-6.64,-.38,;-5.36,.38,;-5.36,1.92,;-6.64,2.69,;-4.03,-.38,;-4.03,-1.92,;-2.69,-2.69,;-1.36,-1.92,;-.03,-2.69,;1.31,-1.92,;2.64,-2.69,;3.98,-1.92,;5.31,-2.69,;6.64,-1.92,;6.64,-.38,;7.98,.38,;9.31,-.38,;9.31,-1.92,;10.65,.38,;10.65,1.92,;9.31,2.69,;7.98,1.92,;6.64,2.69,;5.31,.38,;5.31,1.92,;3.98,-.38,;2.64,.38,;1.31,-.38,;-1.36,-.38,;-2.69,.38,)|
CN(C)CCN(C)c1ccc(Nc2cc3ncn(-c4c(Cl)cccc4Cl)c(=O)c3cn2)cc1 |(-10.67,.38,;-9.34,-.38,;-9.34,-1.92,;-8,.38,;-6.67,-.38,;-5.34,.38,;-5.34,1.92,;-4,-.38,;-4,-1.92,;-2.67,-2.69,;-1.33,-1.92,;,-2.69,;1.33,-1.92,;2.67,-2.69,;4,-1.92,;5.34,-2.69,;6.67,-1.92,;6.67,-.38,;8,.38,;9.34,-.38,;9.34,-1.92,;10.67,.38,;10.67,1.92,;9.34,2.69,;8,1.92,;6.67,2.69,;5.34,.38,;5.34,1.92,;4,-.38,;2.67,.38,;1.33,-.38,;-1.33,-.38,;-2.67,.38,)|
CN(C)CCOc1ccc(Nc2cc3ncn(-c4c(Cl)cccc4Cl)c(=O)c3cn2)cc1 |(-10.67,.38,;-9.34,-.38,;-9.34,-1.92,;-8,.38,;-6.67,-.38,;-5.34,.38,;-4,-.38,;-4,-1.92,;-2.67,-2.69,;-1.33,-1.92,;,-2.69,;1.33,-1.92,;2.67,-2.69,;4,-1.92,;5.34,-2.69,;6.67,-1.92,;6.67,-.38,;8,.38,;9.34,-.38,;9.34,-1.92,;10.67,.38,;10.67,1.92,;9.34,2.69,;8,1.92,;6.67,2.69,;5.34,.38,;5.34,1.92,;4,-.38,;2.67,.38,;1.33,-.38,;-1.33,-.38,;-2.67,.38,)|
CN(C)CCCNc1ccc(Nc2cc3ncn(-c4c(Cl)cccc4Cl)c(=O)c3cn2)cc1 |(10.01,1.92,;10.01,.38,;11.34,-.38,;8.67,-.38,;7.34,.38,;6,-.38,;4.67,.38,;3.34,-.38,;2,.38,;.67,-.38,;.67,-1.92,;-.67,-2.69,;-2,-1.92,;-3.34,-2.69,;-4.67,-1.92,;-6,-2.69,;-7.34,-1.92,;-7.34,-.38,;-8.67,.38,;-8.67,1.92,;-7.34,2.69,;-10.01,2.69,;-11.34,1.92,;-11.34,.38,;-10.01,-.38,;-10.01,-1.92,;-6,.38,;-6,1.92,;-4.67,-.38,;-3.34,.38,;-2,-.38,;2,-2.69,;3.34,-1.92,)|
CN(C)CCCN(C)c1ccc(Nc2cc3ncn(-c4c(Cl)cccc4Cl)c(=O)c3cn2)cc1 |(-11.98,-.39,;-10.65,.38,;-10.65,1.92,;-9.31,-.38,;-7.98,.38,;-6.64,-.38,;-5.31,.38,;-5.31,1.92,;-3.98,-.38,;-2.64,.38,;-1.36,-.38,;-1.36,-1.92,;-.03,-2.69,;1.31,-1.92,;2.64,-2.69,;3.98,-1.92,;5.31,-2.69,;6.64,-1.92,;6.64,-.38,;7.98,.38,;9.31,-.38,;9.31,-1.92,;10.65,.38,;10.65,1.92,;9.31,2.69,;7.98,1.92,;6.64,2.69,;5.31,.38,;5.31,1.92,;3.98,-.38,;2.64,.38,;1.31,-.38,;-2.64,-2.69,;-3.98,-1.92,)|
CN(CCCN)c1ccc(Nc2cc3ncn(-c4c(Cl)cccc4Cl)c(=O)c3cn2)cc1 |(-5.36,1.92,;-5.36,.38,;-6.7,-.38,;-8.03,.38,;-9.36,-.38,;-10.65,.38,;-4.03,-.38,;-4.03,-1.92,;-2.69,-2.69,;-1.36,-1.92,;-.03,-2.69,;1.31,-1.92,;2.64,-2.69,;3.98,-1.92,;5.31,-2.69,;6.64,-1.92,;6.64,-.38,;7.98,.38,;9.31,-.38,;9.31,-1.92,;10.65,.38,;10.65,1.92,;9.31,2.69,;7.98,1.92,;6.64,2.69,;5.31,.38,;5.31,1.92,;3.98,-.38,;2.64,.38,;1.31,-.38,;-1.36,-.38,;-2.69,.38,)|
C[C@H]1CN(C[C@@H](C)N1)c1ccc(Nc2cc3ncn(-c4c(Cl)cccc4Cl)c(=O)c3cn2)cc1C#N |r,wD:5.5,1.0,(-9.98,-.77,;-8.65,,;-7.31,-.77,;-5.98,,;-5.98,1.54,;-7.31,2.31,;-7.31,3.85,;-8.65,1.54,;-4.64,-.77,;-3.31,,;-1.98,-.77,;-1.98,-2.31,;-.64,-3.08,;.69,-2.31,;2.03,-3.08,;3.36,-2.31,;4.69,-3.08,;6.03,-2.31,;6.03,-.77,;7.31,,;8.65,-.77,;8.65,-2.31,;9.98,,;9.98,1.54,;8.65,2.31,;7.31,1.54,;6.03,2.31,;4.69,,;4.69,1.54,;3.36,-.77,;2.03,,;.69,-.77,;-3.31,-3.08,;-4.64,-2.31,;-5.98,-3.08,;-7.31,-3.85,)|
C[C@H]1CN(C[C@@H](C)N1)c1ccc(Nc2cc3ncn(-c4c(Cl)cccc4Cl)c(=O)c3cn2)cc1C(F)(F)F |r,wD:5.5,1.0,(-9.98,-.38,;-8.65,.38,;-7.31,-.38,;-5.98,.38,;-5.98,1.92,;-7.31,2.69,;-7.31,4.23,;-8.65,1.92,;-4.64,-.38,;-3.31,.38,;-1.98,-.38,;-1.98,-1.92,;-.64,-2.69,;.69,-1.92,;2.03,-2.69,;3.36,-1.92,;4.69,-2.69,;6.03,-1.92,;6.03,-.38,;7.31,.38,;8.65,-.38,;8.65,-1.92,;9.98,.38,;9.98,1.92,;8.65,2.69,;7.31,1.92,;6.03,2.69,;4.69,.38,;4.69,1.92,;3.36,-.38,;2.03,.38,;.69,-.38,;-3.31,-2.69,;-4.64,-1.92,;-5.98,-2.69,;-7.31,-3.46,;-5.98,-4.23,;-7.31,-1.92,)|
C[C@H]1CN(C[C@@H](C)N1)c1ccc(Nc2cc3ncn(-c4c(Cl)cccc4Cl)c(=O)c3cn2)cc1NC(C)=O |r,wD:5.5,1.0,(-9.98,.03,;-8.65,.8,;-7.31,.03,;-5.98,.74,;-5.98,2.33,;-7.31,3.05,;-7.31,4.64,;-8.65,2.33,;-4.64,-.03,;-3.31,.74,;-1.98,-.03,;-1.98,-1.57,;-.64,-2.33,;.69,-1.57,;2.03,-2.33,;3.36,-1.57,;4.69,-2.33,;6.03,-1.57,;6.03,-.03,;7.31,.74,;8.65,-.03,;8.65,-1.57,;9.98,.74,;9.98,2.28,;8.65,3.05,;7.31,2.28,;6.03,3.05,;4.69,.74,;4.69,2.33,;3.36,-.03,;2.03,.74,;.69,-.03,;-3.31,-2.33,;-4.64,-1.57,;-5.98,-2.33,;-5.98,-3.87,;-7.31,-4.64,;-4.64,-4.64,)|
C[C@H]1CN(C[C@@H](C)N1)c1ccc(Nc2cc3ncn(-c4c(Cl)cccc4Cl)c(=O)c3cn2)cc1CO |r,wD:5.5,1.0,(-9.98,-1.15,;-8.65,-.38,;-7.31,-1.15,;-5.98,-.38,;-5.98,1.15,;-7.31,1.92,;-7.31,3.46,;-8.65,1.15,;-4.64,-1.15,;-3.31,-.38,;-1.98,-1.15,;-1.98,-2.69,;-.64,-3.46,;.69,-2.69,;2.03,-3.46,;3.36,-2.69,;4.69,-3.46,;6.03,-2.69,;6.03,-1.15,;7.31,-.38,;8.65,-1.15,;8.65,-2.69,;9.98,-.38,;9.98,1.15,;8.65,1.92,;7.31,1.15,;6.03,1.92,;4.69,-.38,;4.69,1.15,;3.36,-1.15,;2.03,-.38,;.69,-1.15,;-3.31,-3.46,;-4.64,-2.69,;-5.98,-3.46,;-7.31,-2.69,)|
COc1cc(Nc2cc3ncn(-c4c(Cl)cccc4Cl)c(=O)c3cn2)ccc1N1C[C@H](C)N[C@H](C)C1 |r,wD:33.37,30.34,(-7.31,-2.69,;-5.98,-3.46,;-4.64,-2.69,;-3.31,-3.46,;-1.98,-2.69,;-.64,-3.46,;.69,-2.69,;2.03,-3.46,;3.36,-2.69,;4.69,-3.46,;6.03,-2.69,;6.03,-1.15,;7.31,-.38,;8.65,-1.15,;8.65,-2.69,;9.98,-.38,;9.98,1.15,;8.65,1.92,;7.31,1.15,;6.03,1.92,;4.69,-.38,;4.69,1.15,;3.36,-1.15,;2.03,-.38,;.69,-1.15,;-1.98,-1.15,;-3.31,-.38,;-4.64,-1.15,;-5.98,-.38,;-7.31,-1.15,;-8.65,-.38,;-9.98,-1.15,;-8.65,1.15,;-7.31,1.92,;-7.31,3.46,;-5.98,1.15,)|
C[C@H]1CN(C[C@@H](C)N1)c1ccc(Nc2cc3ncn(-c4c(Cl)cccc4Cl)c(=O)c3cn2)cc1CNC1CC1 |r,wD:5.5,1.0,(-9.9,-.51,;-8.57,.26,;-7.23,-.51,;-5.9,.26,;-5.9,1.8,;-7.23,2.57,;-7.23,4.1,;-8.57,1.8,;-4.57,-.51,;-3.23,.26,;-1.9,-.51,;-1.9,-2.05,;-.56,-2.82,;.77,-2.05,;2.1,-2.82,;3.44,-2.05,;4.77,-2.82,;6.11,-2.05,;6.11,-.51,;7.44,.26,;8.77,-.51,;8.77,-2.05,;10.11,.26,;10.11,1.8,;8.77,2.57,;7.44,1.8,;6.11,2.57,;4.77,.26,;4.77,1.8,;3.44,-.51,;2.1,.26,;.77,-.51,;-3.23,-2.82,;-4.57,-2.05,;-5.9,-2.82,;-7.23,-2.05,;-8.57,-2.82,;-9.34,-4.1,;-10.11,-2.82,)|
C[C@H]1CN(C[C@@H](C)N1)c1ccc(Nc2cc3ncn(-c4c(Cl)cccc4Cl)c(=O)c3cn2)nc1 |r,wD:5.5,1.0,(-9.98,-1.15,;-8.65,-.38,;-7.31,-1.15,;-5.98,-.38,;-5.98,1.15,;-7.31,1.92,;-7.31,3.46,;-8.65,1.15,;-4.64,-1.15,;-4.64,-2.69,;-3.31,-3.46,;-1.98,-2.69,;-.64,-3.46,;.69,-2.69,;2.03,-3.46,;3.36,-2.69,;4.69,-3.46,;6.03,-2.69,;6.03,-1.15,;7.31,-.38,;8.65,-1.15,;8.65,-2.69,;9.98,-.38,;9.98,1.15,;8.65,1.92,;7.31,1.15,;6.03,1.92,;4.69,-.38,;4.69,1.15,;3.36,-1.15,;2.03,-.38,;.69,-1.15,;-1.98,-1.15,;-3.31,-.38,)|
CN1CCN(CC1)c1ccc(Nc2cc3ncn(-c4c(Cl)cccc4Cl)c(=O)c3cn2)nc1 |(-10.01,2.69,;-8.67,1.92,;-8.67,.38,;-7.34,-.38,;-6,.38,;-6,1.92,;-7.34,2.69,;-4.67,-.38,;-4.67,-1.92,;-3.33,-2.69,;-2,-1.92,;-.67,-2.69,;.67,-1.92,;2,-2.69,;3.34,-1.92,;4.67,-2.69,;6,-1.92,;6,-.38,;7.34,.38,;8.67,-.38,;8.67,-1.92,;10.01,.38,;10.01,1.92,;8.67,2.69,;7.34,1.92,;6,2.69,;4.67,.38,;4.67,1.92,;3.34,-.38,;2,.38,;.67,-.38,;-2,-.38,;-3.33,.38,)|
CN1CCc2ccc(Nc3cc4n(-c5cc(ccn5)C(C)(C)O)n(CC=C)c(=O)c4cn3)cc2C1
CN1CCc2ccc(Nc3ncc4c(n3)n(-c3cccc(n3)C(F)(F)F)n(CC=C)c4=O)cc2C1
CN1CCc2ccc(Nc3ncc4c(n3)n(-c3cccc(C)n3)n(CC=C)c4=O)cc2C1
CN1Cc2ccc(Nc3ncc4c(n3)n(-c3cccc(n3)C(C)(C)O)n(C3CCCC=C3)c4=O)cc2C1 |c:32|
COc1ccccc1-n1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc4c(CN(C)CC4(C)C)c3)ncc2c1=O |(7.16,5.15,;6.4,3.82,;7.17,2.49,;8.71,2.49,;9.48,1.17,;8.72,-.17,;7.18,-.17,;6.41,1.15,;4.88,1.15,;3.97,-.1,;4.45,-1.56,;3.41,-2.7,;3.89,-4.16,;5.39,-4.48,;6.42,-3.34,;5.95,-1.87,;7.92,-3.67,;8.95,-2.53,;8.31,-5.15,;9.4,-4.06,;2.5,.37,;1.17,-.39,;-.16,.37,;-1.48,-.4,;-2.81,.36,;-2.81,1.91,;-4.15,2.68,;-5.48,1.91,;-5.48,.36,;-6.82,-.41,;-8.16,.38,;-9.48,-.39,;-8.16,1.92,;-6.81,2.69,;-7.89,3.77,;-6.04,4.01,;-4.15,-.42,;-.16,1.91,;1.17,2.69,;2.5,1.92,;3.97,2.4,;4.44,3.86,)|
COc1ccccc1-n1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc4c(CNCC4(C)C)c3)ncc2c1=O |(6.5,5.14,;5.74,3.81,;6.51,2.49,;8.04,2.49,;8.82,1.17,;8.05,-.17,;6.51,-.17,;5.74,1.15,;4.21,1.15,;3.31,-.1,;3.78,-1.56,;2.75,-2.7,;3.22,-4.16,;4.72,-4.48,;5.75,-3.34,;5.29,-1.87,;7.25,-3.66,;8.28,-2.53,;7.65,-5.14,;8.73,-4.06,;1.84,.37,;.51,-.39,;-.82,.37,;-2.15,-.4,;-3.48,.36,;-3.48,1.91,;-4.81,2.68,;-6.14,1.91,;-6.14,.36,;-7.48,-.41,;-8.82,.38,;-8.82,1.92,;-7.47,2.68,;-8.55,3.77,;-6.7,4.01,;-4.81,-.42,;-.82,1.91,;.5,2.69,;1.84,1.92,;3.3,2.4,;3.77,3.85,)|
COc1ccccc1-n1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc4CCN(C)Cc4c3)ncc2c1=O |(7.16,5.15,;6.4,3.82,;7.17,2.49,;8.7,2.49,;9.48,1.17,;8.72,-.16,;7.18,-.16,;6.41,1.16,;4.88,1.16,;3.97,-.1,;4.45,-1.55,;3.41,-2.7,;3.89,-4.15,;5.39,-4.48,;6.42,-3.33,;5.95,-1.87,;7.92,-3.66,;8.95,-2.52,;8.32,-5.15,;9.41,-4.06,;2.5,.38,;1.17,-.38,;-.16,.38,;-1.48,-.39,;-2.81,.37,;-2.81,1.91,;-4.14,2.68,;-5.47,1.91,;-6.8,2.69,;-8.15,1.93,;-8.15,.38,;-9.48,-.38,;-6.81,-.4,;-5.47,.37,;-4.14,-.41,;-.16,1.92,;1.17,2.7,;2.5,1.92,;3.97,2.4,;4.44,3.86,)|
COc1ccccc1-n1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc(cc3)C3CCN(C)CC3)ncc2c1=O |(7.84,5.14,;7.08,3.82,;7.84,2.49,;9.38,2.49,;10.15,1.17,;9.39,-.17,;7.85,-.17,;7.08,1.15,;5.55,1.15,;4.64,-.09,;5.11,-1.55,;4.08,-2.69,;4.55,-4.15,;6.05,-4.48,;7.08,-3.34,;6.62,-1.87,;8.58,-3.66,;9.61,-2.53,;8.98,-5.14,;10.06,-4.06,;3.17,.38,;1.84,-.38,;.51,.38,;-.81,-.38,;-2.14,.38,;-3.47,-.4,;-4.81,.37,;-4.81,1.9,;-3.48,2.68,;-2.14,1.92,;-6.14,2.66,;-7.46,1.88,;-8.82,2.64,;-8.82,4.18,;-10.15,4.94,;-7.49,4.95,;-6.14,4.19,;.51,1.93,;1.84,2.7,;3.17,1.93,;4.64,2.4,;5.11,3.86,)|
CC(C)(O)c1cccc(n1)-n1n(-c2ccccc2F)c(=O)c2cnc(Nc3ccc4c(NCCC4(C)C)c3)nc12 |(8.28,-1.89,;7.25,-3.02,;7.65,-4.5,;8.73,-3.42,;5.75,-2.7,;4.72,-3.84,;3.22,-3.52,;2.75,-2.06,;3.78,-.92,;5.29,-1.23,;3.31,.54,;4.21,1.79,;5.74,1.79,;6.51,.47,;8.05,.47,;8.82,1.81,;8.04,3.13,;6.51,3.13,;5.74,4.45,;3.3,3.04,;3.77,4.49,;1.84,2.56,;.5,3.33,;-.82,2.55,;-.82,1.01,;-2.15,.24,;-3.48,1,;-3.48,2.55,;-4.81,3.31,;-6.14,2.55,;-6.14,1,;-7.48,.23,;-8.82,1.02,;-8.82,2.56,;-7.47,3.32,;-6.47,4.49,;-8.44,4.5,;-4.81,.22,;.51,.25,;1.84,1.01,)|
CN1CCC(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(C2CCCC2)c3=O)cc1
CN1CCc2ccc(Nc3ncc4c(n3)n(-c3cccc(n3)C(C)(C)O)n(C3CCCC=C3)c4=O)cc2C1 |c:33|
CN1CCC(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(C2CCCC=C2)c3=O)cc1 |c:37|
CN1CCC(C)(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)cc1
C\C=C\n1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc(CN4CCOCC4)cc3)ncc2c1=O
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(-c2cccc(OC(F)(F)F)c2)c3=O)cc1
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(-c2cccc(c2)C#N)c3=O)cc1
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(-c2cccc(Cl)c2)c3=O)cc1
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(-c2cccc(C)c2)c3=O)cc1
CC(C)(c1cccc(n1)N2c3c(cnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C(=O)N2c6ccccc6OC)O
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(-c2ccccc2F)c3=O)cc1 |(-10.15,5.03,;-8.82,4.28,;-7.5,5.05,;-6.14,4.29,;-6.14,2.75,;-7.48,1.98,;-8.82,2.74,;-4.81,1.99,;-4.81,.46,;-3.47,-.3,;-2.14,.47,;-.81,-.29,;.51,.48,;.51,2.02,;1.84,2.8,;3.17,2.02,;3.17,.47,;1.84,-.29,;4.64,-0,;5.11,-1.46,;4.08,-2.6,;4.55,-4.06,;6.05,-4.39,;7.08,-3.25,;6.62,-1.78,;8.58,-3.57,;9.61,-2.44,;8.98,-5.05,;10.11,-3.57,;5.55,1.25,;7.08,1.25,;7.84,-.08,;9.38,-.08,;10.15,1.26,;9.38,2.58,;7.84,2.58,;7.08,3.91,;4.64,2.49,;5.11,3.95,;-2.14,2.01,;-3.48,2.77,)|
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(-c2ccccc2C)c3=O)cc1 |(-10.16,5.08,;-8.83,4.31,;-8.83,2.77,;-7.5,2,;-6.16,2.77,;-6.16,4.31,;-7.5,5.08,;-4.83,2,;-3.5,2.77,;-2.16,2,;-2.16,.46,;-.83,-.31,;.51,.46,;.51,2,;1.84,2.77,;3.17,2,;3.17,.46,;1.84,-.31,;4.64,-.02,;5.11,-1.48,;4.08,-2.63,;4.56,-4.09,;6.07,-4.41,;7.1,-3.27,;6.62,-1.8,;8.6,-3.59,;9.63,-2.44,;9,-5.08,;10.09,-3.99,;5.54,1.23,;7.08,1.23,;7.85,-.11,;9.39,-.11,;10.16,1.23,;9.39,2.56,;7.85,2.56,;7.08,3.89,;4.64,2.47,;5.11,3.94,;-3.5,-.31,;-4.83,.46,)|
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(-c2ccccn2)c3=O)cc1
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(-c2ccccc2)c3=O)cc1
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(C2CCCC=C2)c3=O)cc1 |c:37|
[H][C@@]1(CCCC=C1)n1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2c1=O |r,c:5|
[H][C@]1(CCCC=C1)n1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2c1=O |r,c:5|
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(C2CCC=C2)c3=O)cc1 |c:36|
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n([C@H]2CCC=C2)c3=O)cc1 |r,c:36|
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n([C@@H]2CCC=C2)c3=O)cc1 |r,c:36|
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(C2CCCCC2)c3=O)cc1
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(C2CCCC2)c3=O)cc1
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC2CCC2)c3=O)cc1
COCCn1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2c1=O
CC(C)n1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2c1=O
CCCn1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2c1=O
CN(C)C1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(C2CCCC=C2)c3=O)cc1 |c:39|
CN1CCc2cc(Nc3ncc4c(n3)n(-c3cccc(n3)C(C)(C)O)n(C3CCCC=C3)c4=O)ccc2C1 |c:32|
CN(C)C1CCN(CC1)c1c(C)cc(Nc2ncc3C(=O)N(C4=NCCN4c3n2)c2c(Cl)cccc2Cl)cc1F |t:23|
CN1Cc2ccc(Nc3ncc4c(n3)n(C)cc(-c3c(Cl)cccc3Cl)c4=O)cc2C1 |(-9.28,-.41,;-7.75,-.41,;-6.83,.85,;-5.36,.38,;-4.03,1.15,;-2.7,.38,;-2.7,-1.16,;-1.36,-1.93,;-.04,-1.15,;-.04,.39,;1.29,1.17,;2.62,.39,;2.62,-1.15,;1.29,-1.92,;3.96,-1.93,;3.96,-3.46,;5.3,-1.15,;5.3,.39,;6.63,1.16,;6.63,2.69,;5.3,3.46,;7.95,3.45,;9.28,2.69,;9.28,1.16,;7.96,.39,;7.96,-1.14,;3.96,1.16,;3.96,2.7,;-4.03,-1.94,;-5.36,-1.16,;-6.87,-1.63,)|
CC1(C)CNCc2cc(Nc3ncc4c(ccn(-c5c(Cl)cccc5Cl)c4=O)n3)ccc12 |(-8.4,1.48,;-7.31,.4,;-6.92,1.88,;-8.65,-.37,;-8.65,-1.92,;-7.31,-2.69,;-5.97,-1.92,;-4.65,-2.7,;-3.31,-1.92,;-1.98,-2.68,;-.66,-1.91,;-.66,-.37,;.67,.41,;2,-.36,;2,-1.91,;3.34,-2.68,;4.67,-1.91,;4.67,-.36,;6,.4,;6,1.93,;4.67,2.7,;7.32,2.69,;8.65,1.93,;8.65,.4,;7.33,-.37,;7.33,-1.9,;3.34,.41,;3.34,1.94,;.67,-2.67,;-3.31,-.37,;-4.65,.39,;-5.97,-.37,)|
CCn1c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(6.01,-3.86,;4.68,-3.09,;4.68,-1.55,;3.34,-.77,;2,-1.54,;.66,-.77,;-.67,-1.55,;-2,-.78,;-2,.77,;-3.34,1.54,;-4.68,.77,;-4.68,-.78,;-3.34,-1.57,;-6.02,1.55,;-7.36,.78,;-8.69,1.55,;-8.69,3.09,;-10.02,3.86,;-7.36,3.86,;-6.02,3.09,;.66,.77,;2,1.56,;3.34,.78,;4.68,1.55,;6.02,.78,;7.36,1.55,;7.36,3.09,;6.02,3.86,;8.69,3.85,;10.02,3.08,;10.02,1.55,;8.7,.77,;8.7,-.76,;6.02,-.77,;7.36,-1.54,)|
CC(C)(O)c1cccc(n1)-n1n(C2CCCC=C2)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(CCO)CC3)nc12 |c:17|
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)c2n(C)ccc12
CC[C@H]1N(C(C)C)c2nc(Nc3ccc(cc3OC)C(=O)N[C@H]3CC[C@@H](CC3)N3CCN(CC4CC4)CC3)ncc2N(C)C1=O |r,wU:2.1,22.22,wD:25.29,(-16.91,4.13,;-15.37,4.13,;-14.97,2.64,;-13.64,3.41,;-13.64,4.95,;-14.97,5.72,;-12.31,5.72,;-12.31,2.64,;-10.97,3.41,;-9.64,2.64,;-8.31,3.41,;-6.97,2.64,;-5.64,3.41,;-4.3,2.64,;-4.3,1.1,;-5.64,.33,;-6.97,1.1,;-8.31,.33,;-8.31,-1.21,;-3.22,.01,;-3.22,-1.53,;-2.13,1.1,;-.79,.33,;.54,1.1,;1.87,.33,;1.87,-1.21,;.54,-1.98,;-.79,-1.21,;3.21,-1.98,;3.21,-3.52,;4.54,-4.29,;5.88,-3.52,;7.21,-4.29,;8.54,-3.52,;8.94,-2.03,;9.71,-3.37,;5.88,-1.98,;4.54,-1.21,;-9.64,1.1,;-10.97,.33,;-12.31,1.1,;-13.64,.33,;-13.64,-1.21,;-14.97,1.1,;-16.31,.33,)|
Cc1cc(Nc2ncc3c(n2)N(C)CN(c2c(Cl)cccc2Cl)C3=O)ccc1C1CCN(C)CC1
C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1ccc2ncn(C(C)C)c2c1
C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(-n2cccn2)n1
C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(-n2ccc(C)n2)n1
C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(-n2cc(F)cn2)n1
C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(-c2cnn(C)c2)n1
C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(-c2cc(F)ccn2)n1
C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1ccc2cnn(C(C)C)c2c1
C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1ccc2ccccc2n1
C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(-n2cc(C)cn2)n1
C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(-n2nc(C)cc2C)n1
C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(-n2cnc(C)c2)n1
C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(-c2cnn(C(F)F)c2)n1
C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(-c2cccc(F)n2)n1
C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(-c2ccc(F)cn2)n1
C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(-c2cccnn2)n1
C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(-c2ncccn2)n1
C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(-c2cnccn2)n1
C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(-c2cnc(Cl)cn2)n1
C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(-c2ncc(C#N)cn2)n1
C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(-c2ncc(C)cn2)n1
C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(-c2ncc(F)cn2)n1
C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cncc(-c2cnccn2)c1
C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cc(-c2cnccn2)ccn1
CC(C)n1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(-c2cnccn2)n1
C=CCCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(-c2cnccn2)n1
COCCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(-c2cnccn2)n1
CN1CCN(c2ccc(Nc3ncc4c(=O)n(CC5CC5)n(-c5cccc(-c6cnccn6)n5)c4n3)cc2)CC1
C=CCn1c(=O)c2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc2n1-c1cccc(-c2cccnn2)n1
C=CCn1c(=O)c2cnc(Nc3ccc(N4C5CCC4CN(C)C5)cc3)nc2n1-c1cccc(-c2cccnn2)n1
C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)c(OC)c3)nc2n1-c1cccc(-c2cccnn2)n1
C=CCn1c(=O)c2cnc(Nc3ccc4c(c3)CN(C)CC4)nc2n1-c1cccc(-c2cccnn2)n1
C=CCn1c(=O)c2cnc(Nc3ccc(N4C[C@@H](C)N[C@@H](C)C4)cc3)nc2n1-c1cccc(-c2cccnn2)n1
C=CCn1c(=O)c2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc2n1-c1cccc(-c2ncccn2)n1
C=CCn1c(=O)c2cnc(Nc3ccc(N4[C@@H]5CC[C@H]4CN(C)C5)cc3)nc2n1-c1cccc(-c2ncccn2)n1
C=CCn1c(=O)c2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n1-c1cccc(-c2ncccn2)n1
C=CCn1c(=O)c2cnc(Nc3ccc(N4C[C@@H](C)N[C@@H](C)C4)cc3)nc2n1-c1cccc(-c2ncccn2)n1
C=CCn1c(=O)c2cnc(Nc3ccc4c(c3)CNCC4)nc2n1-c1cccc(-c2ncccn2)n1
C=CCn1c(=O)c2cnc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)cc3)nc2n1-c1cccc(-c2ncccn2)n1
C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(CCN(C)C)CC4)cc3)nc2n1-c1cccc(-c2ncccn2)n1
C=CCn1c(=O)c2cnc(Nc3ccc(N4C5CCC4CN(C)C5)cc3)nc2n1-c1cccc(-c2cnccn2)n1
C=CCn1c(=O)c2cnc(Nc3ccc(N4C[C@H]5C[C@@H]4CN5C)cc3)nc2n1-c1cccc(-c2cnccn2)n1
C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(CC)CC4)cc3)nc2n1-c1cccc(-c2cnccn2)n1
C=CCn1c(=O)c2cnc(Nc3ccc(N4C[C@@H](C)N[C@@H](C)C4)cc3)nc2n1-c1cccc(-c2cnccn2)n1
C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(CCO)CC4)cc3)nc2n1-c1cccc(-c2cnccn2)n1
C=CCn1c(=O)c2cnc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)cc3)nc2n1-c1cccc(-c2cnccn2)n1
C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(CCN(C)C)CC4)cc3)nc2n1-c1cccc(-c2cnccn2)n1
CC[C@]1(CCc2c1nc(cc2)N3c4c(cnc(n4)Nc5ccc(cc5)N6CCN(CC6)C)C(=O)N3CC=C)O
Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3ncc(C(F)(F)F)c3C2)c2nc(C)c(C)nc21
Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3nc(C(F)(F)F)cc3C2)c2nc(C)c(C)nc21
CC(=O)N1CCN(C(=O)c2c(N)n(-c3c(C)ccc(O)c3C)c3nc(C)c(C)nc23)CC1
Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCS(=O)(=O)CC2)c2nc(C)c(C)nc21
Cc1ccc(c(c1n2c(c(c3c2nc(c(c3)C)C)C(=O)N)N)C)O
CC#Cc1nc2c(C(=O)N3CCn4ncnc4C3)c(N)n(-c3c(C)ccc(O)c3C)c2nc1C
Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc(C)c(C)nc12 |(2.54,-2.44,;2.83,-1.24,;4.31,-.81,;4.67,.68,;3.56,1.75,;3.85,2.95,;2.08,1.31,;1.18,2.16,;1.72,-.18,;.21,-.5,;-.42,-1.91,;.2,-2.98,;-1.95,-1.75,;-2.98,-2.9,;-4.18,-2.64,;-2.59,-4.07,;-2.27,-.25,;-3.6,.52,;-3.6,2.07,;-4.67,2.68,;-2.27,2.84,;-2.27,4.07,;-.93,2.07,;-.93,.52,)|
Cc1ccc2c(n1)c(C(=O)N1CCn3nc(C(F)(F)F)nc3C1)c(N)n2-c1c(C)ccc(O)c1C
Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3nc(C(F)(F)F)nc3C2)c2nc(C)c(C)nc21
C[C@@H](C(F)(F)F)N(Cc1ccc(cc1)F)C(=O)CN2C(=O)[C@]3(CCc4c3ccc(c4)NC(=O)NC)OC2=O
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
COc1cc2c(cc1NC(=O)/C=C/CN3CCCCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C)N5CCC(CC5)O
Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc4ncccc4c3)C(C)(C)C)c(F)c2)ccn1
CC[C@@H]1CN(C[C@@H]1c1cnc2cnc3[nH]ccc3n12)C(=O)NCC(F)(F)F |r|
OCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1c(Cl)cccc1Cl |(23.53,-35.27,;24.56,-34.12,;24.08,-32.66,;25.11,-31.51,;24.63,-30.05,;23.16,-29.57,;21.82,-30.34,;20.49,-29.57,;20.49,-28.02,;19.16,-27.25,;21.82,-27.25,;23.16,-28.02,;24.63,-27.54,;25.26,-26.13,;24.64,-24.72,;23.13,-24.4,;25.78,-23.7,;27.11,-24.47,;28.52,-23.85,;26.79,-25.97,;27.71,-27.22,;27.08,-28.64,;25.54,-28.79,;29.23,-27.06,;30.14,-28.31,;29.51,-29.72,;31.67,-28.15,;32.3,-26.75,;31.38,-25.5,;29.86,-25.66,;29.84,-24.12,)|
OCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
OCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1
OCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1c(Cl)cccc1Cl |(20.53,-24.9,;20.05,-23.43,;21.08,-22.29,;20.6,-20.82,;19.13,-20.34,;17.8,-21.11,;16.46,-20.34,;16.46,-18.8,;15.13,-18.03,;17.79,-18.03,;19.13,-18.79,;20.6,-18.31,;21.23,-16.9,;20.61,-15.5,;19.1,-15.18,;21.75,-14.47,;23.08,-15.24,;24.49,-14.62,;22.76,-16.75,;23.68,-18,;23.05,-19.41,;21.51,-19.57,;25.2,-17.84,;26.11,-19.09,;25.48,-20.49,;27.64,-18.93,;28.27,-17.52,;27.35,-16.27,;25.83,-16.44,;25.81,-14.89,)|
OCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
OCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1
OC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1c(Cl)cccc1Cl |(7.04,-32.43,;8.06,-31.27,;9.57,-31.59,;7.57,-29.81,;8.59,-28.66,;8.11,-27.2,;6.63,-26.73,;5.29,-27.5,;3.95,-26.73,;3.96,-25.18,;2.62,-24.41,;5.29,-24.41,;6.62,-25.18,;8.09,-24.69,;8.71,-23.28,;8.07,-21.88,;6.57,-21.57,;9.21,-20.84,;10.55,-21.6,;11.95,-20.97,;10.24,-23.11,;11.16,-24.35,;10.54,-25.77,;9.01,-25.94,;12.69,-24.18,;13.61,-25.42,;12.99,-26.83,;15.13,-25.24,;15.75,-23.83,;14.82,-22.59,;13.3,-22.77,;13.28,-21.23,)|
OC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
OC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1
CN(C)CC(O)Cn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
CNCC(O)Cn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
CN(C)CCNC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1c(Cl)cccc1Cl |(18.95,-7.42,;19.98,-6.27,;19.49,-4.8,;21.48,-6.57,;22.51,-5.42,;24.02,-5.73,;25.04,-4.58,;26.55,-4.89,;24.55,-3.12,;25.57,-1.97,;25.09,-.51,;23.61,-.04,;22.27,-.81,;20.93,-.04,;20.94,1.51,;19.6,2.28,;22.26,2.28,;23.6,1.52,;25.07,2,;25.69,3.41,;25.05,4.81,;23.55,5.13,;26.19,5.85,;27.52,5.09,;28.93,5.72,;27.21,3.58,;28.14,2.34,;27.52,.93,;25.99,.76,;29.67,2.52,;30.58,1.28,;29.97,-.13,;32.11,1.45,;32.73,2.87,;31.8,4.11,;30.28,3.93,;30.26,5.47,)|
CN(C)CCNC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
CN(C)CCNC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1
Oc1ccc2n(CCCNc3ccccc3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1c(Cl)cccc1Cl |(17.36,-29.28,;18.7,-30.05,;18.69,-31.6,;20.03,-32.37,;21.37,-31.6,;22.85,-32.07,;23.33,-33.53,;22.31,-34.68,;22.8,-36.14,;21.78,-37.29,;22.26,-38.76,;21.24,-39.9,;21.72,-41.36,;23.23,-41.67,;24.26,-40.51,;23.77,-39.05,;23.75,-30.81,;25.28,-30.64,;25.9,-29.22,;24.97,-27.98,;25.28,-26.47,;26.69,-25.84,;23.95,-25.71,;22.81,-26.75,;21.31,-26.44,;23.45,-28.15,;22.83,-29.56,;21.36,-30.05,;20.02,-29.28,;27.43,-29.04,;28.34,-30.29,;27.73,-31.7,;29.87,-30.11,;30.49,-28.7,;29.56,-27.46,;28.04,-27.64,;28.02,-26.09,)|
Oc1ccc2n(CCCNc3ccccc3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Oc1ccc2n(CCCNc3ccccc3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1
CN1CCN(CCCn2c3ccc(O)cc3c3c4C(=O)NC(=O)c4c(cc23)-c2c(Cl)cccc2Cl)CC1 |(20.56,-23.44,;21.58,-22.29,;21.1,-20.83,;22.12,-19.69,;23.63,-20,;24.66,-18.84,;24.17,-17.38,;25.19,-16.23,;24.71,-14.77,;23.23,-14.3,;21.89,-15.07,;20.55,-14.3,;20.55,-12.76,;19.22,-11.99,;21.88,-11.98,;23.22,-12.75,;24.69,-12.26,;25.31,-10.85,;24.67,-9.45,;23.16,-9.14,;25.81,-8.41,;27.14,-9.17,;28.55,-8.54,;26.83,-10.68,;27.76,-11.92,;27.14,-13.34,;25.61,-13.51,;29.29,-11.75,;30.2,-12.99,;29.59,-14.4,;31.73,-12.81,;32.35,-11.4,;31.42,-10.16,;29.9,-10.34,;29.88,-8.8,;24.12,-21.46,;23.09,-22.61,)|
CN1CCN(CCCn2c3ccc(O)cc3c3c4C(=O)NC(=O)c4c(cc23)-c2ccccc2Cl)CC1
CN1CCN(CCCn2c3ccc(O)cc3c3c4C(=O)NC(=O)c4c(cc23)-c2ccccc2)CC1
Oc1ccc2n(CCCn3ccnc3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1c(Cl)cccc1Cl |(17.41,2.71,;18.74,1.94,;18.74,.39,;20.07,-.38,;21.42,.39,;22.89,-.08,;23.38,-1.54,;22.36,-2.69,;22.84,-4.15,;21.82,-5.3,;22.15,-6.81,;20.82,-7.59,;19.67,-6.57,;20.29,-5.15,;23.79,1.18,;25.33,1.35,;25.95,2.77,;25.02,4.01,;25.33,5.52,;26.73,6.15,;24,6.28,;22.86,5.24,;21.35,5.55,;23.49,3.84,;22.88,2.43,;21.41,1.94,;20.07,2.71,;27.48,2.95,;28.39,1.7,;27.78,.29,;29.92,1.88,;30.53,3.29,;29.61,4.53,;28.08,4.35,;28.07,5.9,)|
Oc1ccc2n(CCCn3ccnc3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Oc1ccc2n(CCCn3ccnc3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1
Oc1ccc2n(CCCN3CCOCC3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1c(Cl)cccc1Cl |(17.89,-39.21,;19.22,-39.98,;19.22,-41.52,;20.56,-42.29,;21.9,-41.52,;23.38,-41.99,;23.86,-43.45,;22.84,-44.61,;23.33,-46.07,;22.3,-47.22,;20.79,-46.91,;19.77,-48.05,;20.25,-49.52,;21.76,-49.83,;22.79,-48.68,;24.28,-40.73,;25.81,-40.56,;26.43,-39.14,;25.5,-37.9,;25.81,-36.4,;27.22,-35.76,;24.48,-35.64,;23.34,-36.67,;21.83,-36.36,;23.98,-38.07,;23.36,-39.48,;21.89,-39.97,;20.55,-39.21,;27.96,-38.97,;28.87,-40.21,;28.26,-41.62,;30.4,-40.04,;31.02,-38.62,;30.09,-37.38,;28.57,-37.56,;28.55,-36.02,)|
Oc1ccc2n(CCCN3CCOCC3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Oc1ccc2n(CCCN3CCOCC3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1
CN(C)CCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1c(Cl)cccc1Cl |(21.79,-32.39,;23.3,-32.7,;23.79,-34.16,;24.32,-31.55,;23.84,-30.08,;24.86,-28.93,;24.37,-27.47,;22.89,-27,;21.55,-27.77,;20.22,-27,;20.22,-25.46,;18.89,-24.69,;21.55,-24.69,;22.88,-25.45,;24.36,-24.96,;24.97,-23.55,;24.34,-22.15,;22.83,-21.84,;25.47,-21.12,;26.81,-21.88,;28.21,-21.24,;26.5,-23.38,;27.43,-24.62,;26.81,-26.04,;25.27,-26.21,;28.95,-24.45,;29.87,-25.69,;29.25,-27.1,;31.4,-25.51,;32.01,-24.1,;31.09,-22.86,;29.56,-23.04,;29.55,-21.5,)|
CN(C)CCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
CN(C)CCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1
CNCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1c(Cl)cccc1Cl |(17.83,-19.63,;19.34,-19.93,;20.36,-18.78,;19.88,-17.32,;20.9,-16.17,;20.41,-14.71,;18.93,-14.24,;17.59,-15.01,;16.26,-14.24,;16.26,-12.69,;14.93,-11.92,;17.59,-11.92,;18.92,-12.69,;20.4,-12.2,;21.01,-10.79,;20.38,-9.39,;18.87,-9.08,;21.51,-8.35,;22.85,-9.11,;24.25,-8.48,;22.54,-10.62,;23.47,-11.86,;22.85,-13.28,;21.31,-13.45,;24.99,-11.68,;25.91,-12.93,;25.3,-14.34,;27.44,-12.75,;28.05,-11.34,;27.13,-10.1,;25.6,-10.28,;25.59,-8.73,)|
CNCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
CNCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1
Oc1ccc2n(CCn3ccnc3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1c(Cl)cccc1Cl |(18.24,2.81,;19.57,2.04,;19.57,.49,;20.91,-.28,;22.25,.49,;23.73,.02,;24.21,-1.44,;23.19,-2.59,;23.68,-4.05,;25.14,-4.52,;25.16,-6.06,;23.69,-6.54,;22.78,-5.3,;24.63,1.28,;26.16,1.45,;26.78,2.87,;25.85,4.11,;26.16,5.62,;27.57,6.25,;24.83,6.38,;23.69,5.34,;22.18,5.65,;24.33,3.94,;23.71,2.53,;22.24,2.04,;20.9,2.81,;28.31,3.05,;29.22,1.81,;28.61,.39,;30.75,1.98,;31.37,3.39,;30.44,4.64,;28.92,4.45,;28.9,6,)|
Oc1ccc2n(CCn3ccnc3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Oc1ccc2n(CCn3ccnc3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1
Oc1ccc2n(CCN3CCOCC3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1c(Cl)cccc1Cl |(19.14,-37.63,;20.47,-38.4,;20.47,-39.95,;21.8,-40.72,;23.13,-39.95,;24.61,-40.42,;25.09,-41.89,;24.06,-43.03,;24.53,-44.5,;23.51,-45.64,;23.98,-47.1,;25.49,-47.42,;26.52,-46.28,;26.05,-44.81,;25.51,-39.17,;27.05,-39.01,;27.68,-37.6,;26.76,-36.35,;27.08,-34.85,;28.49,-34.23,;25.76,-34.08,;24.61,-35.1,;23.11,-34.78,;25.23,-36.51,;24.61,-37.91,;23.13,-38.39,;21.8,-37.63,;29.21,-37.44,;30.11,-38.69,;29.48,-40.1,;31.64,-38.53,;32.27,-37.12,;31.36,-35.88,;29.83,-36.04,;29.82,-34.5,)|
Oc1ccc2n(CCN3CCOCC3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Oc1ccc2n(CCN3CCOCC3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1
CN(C)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1c(Cl)cccc1Cl |(24.43,-31.38,;22.93,-31.06,;21.9,-32.21,;22.45,-29.6,;23.48,-28.45,;23,-26.99,;21.52,-26.51,;20.19,-27.28,;18.86,-26.51,;18.86,-24.97,;17.52,-24.2,;20.19,-24.2,;21.52,-24.96,;23,-24.48,;23.63,-23.07,;23,-21.67,;21.5,-21.34,;24.15,-20.64,;25.48,-21.41,;26.88,-20.79,;25.15,-22.91,;26.08,-24.17,;25.44,-25.58,;23.9,-25.74,;27.6,-24.01,;28.5,-25.26,;27.88,-26.66,;30.03,-25.1,;30.66,-23.69,;29.75,-22.44,;28.22,-22.61,;28.21,-21.06,)|
CN(C)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
CN(C)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1
OCC(O)Cn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
COCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Oc1ccc2n(CCCC#N)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
COC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Oc1ccc2n(CCC#N)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
NC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1c(Cl)cccc1Cl |(-7.22,-5.81,;-6.19,-4.67,;-4.68,-4.98,;-6.66,-3.2,;-5.64,-2.06,;-6.11,-.59,;-7.59,-.11,;-8.92,-.88,;-10.26,-.11,;-10.25,1.43,;-11.59,2.2,;-8.92,2.2,;-7.59,1.44,;-6.11,1.92,;-5.49,3.33,;-6.11,4.73,;-7.61,5.05,;-4.97,5.76,;-3.64,4.99,;-2.23,5.61,;-3.96,3.48,;-3.04,2.23,;-3.67,.82,;-5.21,.66,;-1.51,2.39,;-.61,1.14,;-1.24,-.26,;.92,1.3,;1.55,2.71,;.64,3.96,;-.89,3.79,;-.9,5.34,)|
NC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
NC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1
COc1ccccc1-c1cc2n(CCCO)c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Oc1ccc2n(CCCc3nnn[nH]3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
OC(=O)CCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Oc1ccc2n(CCS(=O)(=O)c3nnc[nH]3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Oc1ccc2n(CCS(=O)c3nnc[nH]3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Oc1ccc2n(CCSc3nnc[nH]3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Oc1ccc2n(CCc3nnn[nH]3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Oc1ccc2n(CCC(=O)NS(=O)(=O)c3ccccc3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
CS(=O)(=O)NC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Cn1c2cc(c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl)S(=O)(=O)CCCn1cccc1
Cn1c2cc(OCCCN3CCOCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Oc1cc2c(cc1OCCCn1cccc1)[nH]c1cc(c3C(=O)NC(=O)c3c21)-c1ccccc1Cl
Cn1c2cc(CCCCN3CCOCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Oc1ccc2n(CCS(=O)(=O)n3ccnn3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Oc1ccc2n(CCCC(=O)n3ccnc3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Oc1ccc2n(CCCC(=O)n3ccnc3)c3ccc4C(=O)NC(=O)c4c3c2c1
CN(C)CCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3ccc12
Oc1ccc2n(CCC(=O)N3CCOCC3)c3ccc4C(=O)NC(=O)c4c3c2c1
Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccc(cc1)-c1ccccc1
Cn1c2cc(C(=O)NCCn3cccc3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Cn1c2cc(c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl)S(=O)(=O)NCCn1cccc1
Cn1c2cc(c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl)S(=O)CCCn1cccc1
Cn1c2cc(SCCCn3cccc3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
OCCn1c2cc(OCCCN3CCOCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
OCCn1c2cc(OCCCn3cccc3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
OCCn1c2cc(c3C(=O)NC(=O)c3c2c2=CC(O)(O)C(OCCCn3cccc3)C=c12)-c1ccccc1Cl |t:17,33|
Cn1c2cc(OCCCn3cccc3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
CN(C)CCCOc1cc2n(C)c3cc(c4C(=O)NC(=O)c4c3c2cc1O)-c1ccccc1Cl
Oc1cc2c(cc1OCCCN1CCOCC1)[nH]c1cc(c3C(=O)NC(=O)c3c21)-c1ccccc1Cl
CN(C)CCCOc1cc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2cc1O)-c1ccccc1Cl
OCCn1c2cc(CCCCN3CCOCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
OCCn1c2cc(CCCCn3cccc3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Cn1c2cc(CCCCn3cccc3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
CN(C)CCCCc1cc2n(C)c3cc(c4C(=O)NC(=O)c4c3c2cc1O)-c1ccccc1Cl
Oc1cc2c(cc1CCCCN1CCOCC1)[nH]c1cc(c3C(=O)NC(=O)c3c21)-c1ccccc1Cl
Oc1cc2c(cc1CCCCn1cccc1)[nH]c1cc(c3C(=O)NC(=O)c3c21)-c1ccccc1Cl
CN(C)CCCCc1cc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2cc1O)-c1ccccc1Cl
Oc1ccc2n(CCS(=O)n3ccnn3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Oc1ccc2n(CCSn3ccnn3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
CS(=O)(=O)c1ccc(cc1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
OC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3ccc12
CN(C)CCNC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3ccc12
Oc1ccc2n(CCCNc3ccccc3)c3ccc4C(=O)NC(=O)c4c3c2c1
CN1CCN(CCCn2c3ccc(O)cc3c3c4C(=O)NC(=O)c4ccc23)CC1
Oc1ccc2n(CCCC(=O)n3ccnc3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1c(Cl)cccc1Cl |(5.42,-7.62,;6.62,-8.58,;6.38,-10.11,;7.59,-11.07,;9.02,-10.51,;10.4,-11.21,;10.47,-12.75,;11.83,-13.46,;11.89,-15,;13.25,-15.72,;14.56,-14.9,;13.32,-17.26,;12.12,-18.21,;12.65,-19.66,;14.19,-19.6,;14.61,-18.11,;11.54,-10.18,;13.08,-10.21,;13.89,-8.88,;13.12,-7.53,;13.63,-6.08,;15.1,-5.63,;12.4,-5.15,;11.14,-6.03,;9.69,-5.52,;11.59,-7.5,;10.79,-8.82,;9.25,-8.98,;8.05,-8.02,;15.42,-8.9,;16.17,-10.25,;15.37,-11.57,;17.7,-10.27,;18.5,-8.95,;17.74,-7.6,;16.2,-7.58,;15.45,-6.24,)|
Oc1ccc2n(CCCC(=O)N3CCOCC3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1c(Cl)cccc1Cl |(5.42,-7.62,;6.62,-8.58,;6.38,-10.11,;7.59,-11.07,;9.02,-10.51,;10.4,-11.21,;10.47,-12.75,;11.83,-13.46,;11.89,-15,;13.25,-15.72,;14.56,-14.9,;13.32,-17.26,;12.01,-18.07,;12.07,-19.6,;13.43,-20.32,;14.73,-19.5,;14.68,-17.96,;11.54,-10.18,;13.08,-10.21,;13.89,-8.88,;13.12,-7.53,;13.63,-6.08,;15.1,-5.63,;12.4,-5.15,;11.14,-6.03,;9.69,-5.52,;11.59,-7.5,;10.79,-8.82,;9.25,-8.98,;8.05,-8.02,;15.42,-8.9,;16.17,-10.25,;15.37,-11.57,;17.7,-10.27,;18.5,-8.95,;17.74,-7.6,;16.2,-7.58,;15.45,-6.24,)|
Oc1ccc2n(CCCC(=O)N3CCOCC3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Oc1ccc2n(CCCC(=O)N3CCOCC3)c3ccc4C(=O)NC(=O)c4c3c2c1
CNCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3ccc12
Oc1ccc2n(CCC(=O)n3ccnc3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1c(Cl)cccc1Cl |(13.54,.17,;14.74,-.8,;14.5,-2.33,;15.7,-3.29,;17.13,-2.74,;18.52,-3.44,;18.54,-4.98,;17.23,-5.77,;17.25,-7.31,;18.6,-8.06,;15.93,-8.11,;14.52,-7.51,;13.51,-8.67,;14.31,-9.99,;15.81,-9.65,;19.65,-2.41,;21.2,-2.44,;22,-1.12,;21.25,.24,;21.75,1.69,;23.23,2.13,;20.53,2.62,;19.27,1.74,;17.82,2.25,;19.71,.27,;18.91,-1.05,;17.37,-1.2,;16.17,-.24,;23.54,-1.15,;24.28,-2.5,;23.49,-3.81,;25.82,-2.53,;26.62,-1.2,;25.86,.15,;24.33,.17,;23.58,1.51,)|
Oc1ccc2n(CCC(=O)n3ccnc3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Oc1ccc2n(CCC(=O)n3ccnc3)c3ccc4C(=O)NC(=O)c4c3c2c1
Oc1ccc2n(CCC(=O)N3CCOCC3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1c(Cl)cccc1Cl |(-1.49,.05,;-.28,-.9,;-.49,-2.43,;.72,-3.38,;2.15,-2.8,;3.54,-3.48,;3.57,-5.02,;2.25,-5.81,;2.28,-7.35,;3.63,-8.09,;.96,-8.15,;-.38,-7.39,;-1.69,-8.18,;-1.67,-9.72,;-.32,-10.47,;1,-9.68,;4.66,-2.43,;6.21,-2.44,;6.99,-1.1,;6.21,.24,;6.7,1.7,;8.16,2.17,;5.46,2.61,;4.21,1.72,;2.75,2.2,;4.68,.25,;3.9,-1.08,;2.36,-1.26,;1.14,-.32,;8.52,-1.1,;9.29,-2.44,;8.52,-3.77,;10.83,-2.44,;11.6,-1.11,;10.83,.23,;9.29,.23,;8.52,1.56,)|
Oc1ccc2n(CCC(=O)N3CCOCC3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
CN(C)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3ccc12
NC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3ccc12
OCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3ccc12
OCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3ccc12
Cn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3ccc12
Nc1cc(ccc1Cl)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
COc1ccc2cc([nH]c2c1)-c1n[nH]c2cccnc12
COc1ccc(CNc2ccnc3oc4ccccc4c23)cc1
CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N
COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO
c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F
CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F
CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C
c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4
C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Cn1c2cc(C(=O)NCCN3CCCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Cn1c2cc(c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl)S(=O)(=O)NCCN1CCCC1
Cn1c2cc(c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl)S(=O)(=O)CCCN1CCCC1
Cn1c2cc(c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl)S(=O)CCCN1CCCC1
Cn1c2cc(SCCCN3CCCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
OCCn1c2cc(OCCCN3CCCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
CN(C)CCCOc1cc2n(CCO)c3cc(c4C(=O)NC(=O)c4c3c2cc1O)-c1ccccc1Cl
Cn1c2cc(OCCCN3CCCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Oc1cc2c(cc1OCCCN1CCCC1)[nH]c1cc(c3C(=O)NC(=O)c3c21)-c1ccccc1Cl
OCCn1c2cc(CCCCN3CCCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Cn1c2cc(CCCCN3CCCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Oc1cc2c(cc1CCCCN1CCCC1)[nH]c1cc(c3C(=O)NC(=O)c3c21)-c1ccccc1Cl
COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
Cc1cc(=O)c2c(O)cc3C(=O)c4cc(O)cc(O)c4C(=O)c3c2o1
Cn1cc(Nc2ncc(Br)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)cn1 |r,c:16|
Oc1ccc2oc3ncc(O)c(-c4ccccc4)c3c2c1
CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2ccnc2n(-c2ccccc2Cl)c3=O)cc1 |(12.52,-17.19,;12.53,-15.65,;11.2,-14.87,;11.21,-13.33,;12.54,-12.58,;13.88,-13.34,;13.87,-14.88,;12.54,-11.04,;11.21,-10.26,;11.22,-8.72,;12.55,-7.96,;12.56,-6.42,;11.23,-5.65,;11.23,-4.1,;9.9,-3.33,;8.57,-4.09,;8.56,-5.64,;9.89,-6.41,;7.23,-6.4,;6.9,-7.89,;5.39,-8.05,;4.77,-6.65,;5.91,-5.63,;5.91,-4.08,;4.57,-3.32,;3.24,-4.09,;1.9,-3.32,;1.9,-1.77,;3.23,-1,;4.57,-1.77,;5.9,-.99,;7.23,-3.32,;7.23,-1.78,;13.88,-8.72,;13.88,-10.26,)|
Clc1ccccc1-n1c2nccn2c2nc(Nc3ccccc3)ncc2c1=O |(19.06,-2.71,;17.73,-3.49,;16.4,-2.72,;15.07,-3.49,;15.06,-5.04,;16.4,-5.81,;17.74,-5.04,;19.07,-5.81,;19.08,-7.35,;17.94,-8.37,;18.55,-9.77,;20.07,-9.61,;20.39,-8.12,;21.72,-7.36,;23.05,-8.13,;24.39,-7.37,;25.72,-8.14,;25.72,-9.68,;24.38,-10.44,;24.38,-11.98,;25.71,-12.76,;27.05,-11.98,;27.05,-10.45,;24.39,-5.82,;23.06,-5.05,;21.73,-5.81,;20.4,-5.04,;20.4,-3.5,)|
Clc1ccccc1-n1c2nccn2c2nc(NC3CCCCC3)ncc2c1=O |(33.09,-2.63,;31.76,-3.4,;30.42,-2.64,;29.09,-3.41,;29.09,-4.95,;30.43,-5.72,;31.76,-4.95,;33.1,-5.72,;33.1,-7.27,;31.96,-8.28,;32.58,-9.68,;34.1,-9.53,;34.42,-8.04,;35.75,-7.27,;37.08,-8.05,;38.42,-7.28,;39.75,-8.05,;39.75,-9.6,;38.41,-10.36,;38.4,-11.9,;39.74,-12.67,;41.08,-11.9,;41.08,-10.36,;38.42,-5.73,;37.09,-4.97,;35.76,-5.73,;34.42,-4.95,;34.43,-3.41,)|
Clc1ccccc1-n1c2nccn2c2nc(Nc3ccc(cc3)C3CCCCC3)ncc2c1=O |(45.96,-2.98,;44.63,-3.76,;43.3,-2.99,;41.97,-3.76,;41.97,-5.31,;43.3,-6.08,;44.64,-5.31,;45.97,-6.08,;45.97,-7.62,;44.84,-8.64,;45.45,-10.04,;46.97,-9.88,;47.29,-8.39,;48.62,-7.63,;49.95,-8.4,;51.29,-7.64,;52.62,-8.41,;52.62,-9.95,;51.28,-10.71,;51.28,-12.25,;52.61,-13.03,;53.95,-12.25,;53.95,-10.72,;52.61,-14.56,;51.27,-15.33,;51.27,-16.86,;52.6,-17.64,;53.93,-16.87,;53.94,-15.33,;51.29,-6.09,;49.96,-5.32,;48.63,-6.09,;47.3,-5.31,;47.3,-3.77,)|
Clc1ccccc1-n1c2nccn2c2nc(Nc3ccc(cc3)N3CCCCC3)ncc2c1=O |(59.29,-2.07,;57.96,-2.85,;56.62,-2.08,;55.29,-2.85,;55.29,-4.4,;56.63,-5.17,;57.96,-4.4,;59.3,-5.17,;59.3,-6.71,;58.16,-7.73,;58.78,-9.13,;60.3,-8.97,;60.62,-7.48,;61.95,-6.72,;63.28,-7.49,;64.62,-6.73,;65.95,-7.5,;65.94,-9.04,;64.61,-9.8,;64.6,-11.34,;65.93,-12.12,;67.27,-11.34,;67.27,-9.8,;65.94,-13.65,;64.6,-14.41,;64.59,-15.95,;65.92,-16.73,;67.26,-15.96,;67.27,-14.42,;64.62,-5.18,;63.29,-4.41,;61.96,-5.17,;60.62,-4.4,;60.62,-2.86,)|
CN1CCC(CC1)c1ccc(Nc2ncc3c(n2)n2ccnc2n(-c2ccccc2Cl)c3=O)cc1 |(11.11,-34.48,;11.12,-32.94,;9.79,-32.16,;9.8,-30.63,;11.13,-29.86,;12.47,-30.63,;12.46,-32.18,;11.13,-28.33,;9.8,-27.55,;9.8,-26.02,;11.14,-25.25,;11.15,-23.71,;9.81,-22.94,;9.82,-21.39,;8.48,-20.62,;7.15,-21.39,;7.15,-22.93,;8.48,-23.7,;5.82,-23.69,;5.49,-25.19,;3.97,-25.34,;3.36,-23.94,;4.5,-22.92,;4.49,-21.38,;3.16,-20.61,;1.82,-21.38,;.49,-20.61,;.49,-19.06,;1.82,-18.29,;3.15,-19.06,;4.48,-18.28,;5.82,-20.61,;5.82,-19.07,;12.47,-26.02,;12.47,-27.55,)|
CC(=O)N1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2ccnc2n(-c2ccccc2Cl)c3=O)cc1 |(21.77,-35.76,;23.11,-35,;24.44,-35.78,;23.12,-33.46,;21.79,-32.68,;21.79,-31.15,;23.13,-30.39,;24.46,-31.15,;24.46,-32.69,;23.13,-28.85,;21.8,-28.07,;21.8,-26.53,;23.14,-25.77,;23.14,-24.23,;21.81,-23.46,;21.81,-21.91,;20.48,-21.14,;19.15,-21.91,;19.14,-23.45,;20.47,-24.22,;17.81,-24.21,;17.49,-25.7,;15.97,-25.86,;15.36,-24.46,;16.5,-23.44,;16.49,-21.9,;15.16,-21.13,;13.82,-21.9,;12.49,-21.13,;12.49,-19.58,;13.82,-18.81,;15.15,-19.58,;16.48,-18.8,;17.82,-21.13,;17.82,-19.59,;24.47,-26.54,;24.47,-28.07,)|
CN1CCN(CC1)c1cccc(Nc2ncc3c(n2)n2ccnc2n(-c2ccccc2Cl)c3=O)c1 |(29.29,-32.06,;30.63,-31.3,;30.64,-29.76,;31.97,-29,;33.3,-29.78,;33.3,-31.32,;31.96,-32.08,;34.63,-29.02,;35.97,-29.79,;37.31,-29.02,;37.3,-27.48,;35.98,-26.71,;35.98,-25.17,;34.65,-24.4,;34.65,-22.85,;33.32,-22.08,;31.99,-22.85,;31.98,-24.39,;33.31,-25.17,;30.65,-25.16,;30.33,-26.65,;28.81,-26.8,;28.19,-25.4,;29.33,-24.39,;29.33,-22.84,;27.99,-22.07,;26.66,-22.84,;25.32,-22.07,;25.32,-20.53,;26.65,-19.76,;27.99,-20.52,;29.32,-19.75,;30.65,-22.07,;30.65,-20.53,;34.64,-27.48,)|
CN1CCN(CC1)c1ccccc1Nc1ncc2c(n1)n1ccnc1n(-c1ccccc1Cl)c2=O |(55.97,-25.47,;54.64,-26.24,;54.63,-27.78,;53.3,-28.54,;51.97,-27.77,;51.96,-26.23,;53.3,-25.47,;50.64,-28.55,;50.64,-30.08,;49.3,-30.86,;47.97,-30.08,;47.97,-28.54,;49.31,-27.78,;49.31,-26.24,;47.98,-25.47,;47.98,-23.92,;46.65,-23.15,;45.32,-23.91,;45.31,-25.46,;46.64,-26.23,;43.98,-26.22,;43.66,-27.71,;42.14,-27.87,;41.53,-26.47,;42.67,-25.45,;42.66,-23.91,;41.33,-23.14,;39.99,-23.91,;38.65,-23.14,;38.66,-21.59,;39.99,-20.82,;41.32,-21.59,;42.65,-20.81,;43.99,-23.14,;43.99,-21.6,)|
Clc1ccccc1-n1c2nccn2c2nc(Nc3ccc4CCCCc4c3)ncc2c1=O |(61.16,-20.49,;59.83,-21.27,;58.5,-20.5,;57.17,-21.27,;57.16,-22.82,;58.5,-23.59,;59.84,-22.82,;61.17,-23.58,;61.17,-25.13,;60.04,-26.15,;60.65,-27.55,;62.17,-27.39,;62.49,-25.9,;63.82,-25.14,;65.15,-25.91,;66.49,-25.15,;67.82,-25.92,;67.82,-27.46,;66.48,-28.22,;66.47,-29.76,;67.81,-30.53,;67.81,-32.06,;69.13,-32.84,;70.47,-32.07,;70.48,-30.53,;69.15,-29.76,;69.15,-28.22,;66.49,-23.6,;65.16,-22.83,;63.83,-23.59,;62.5,-22.82,;62.5,-21.28,)|
CN1CCc2ccc(Nc3ncc4c(n3)n3ccnc3n(-c3ccccc3Cl)c4=O)cc2C1 |(14.28,-46.36,;12.95,-45.58,;11.61,-46.35,;10.29,-45.57,;10.29,-44.04,;8.96,-43.27,;8.96,-41.73,;10.3,-40.97,;10.3,-39.43,;8.97,-38.65,;8.97,-37.11,;7.64,-36.34,;6.31,-37.1,;6.3,-38.64,;7.63,-39.42,;4.97,-39.41,;4.65,-40.9,;3.13,-41.05,;2.52,-39.66,;3.66,-38.64,;3.65,-37.09,;2.32,-36.33,;.98,-37.1,;-.36,-36.33,;-.36,-34.78,;.98,-34.01,;2.31,-34.78,;3.64,-34,;4.98,-36.33,;4.98,-34.79,;11.63,-41.73,;11.63,-43.27,;12.96,-44.04,)|
CN1CCCc2ccc(Nc3ncc4c(n3)n3ccnc3n(-c3ccccc3Cl)c4=O)cc12 |(27.6,-44.19,;26.26,-44.96,;26.25,-46.5,;24.92,-47.27,;23.59,-46.49,;23.59,-44.96,;22.26,-44.19,;22.26,-42.65,;23.6,-41.89,;23.6,-40.35,;22.27,-39.57,;22.27,-38.03,;20.94,-37.26,;19.61,-38.02,;19.6,-39.56,;20.93,-40.34,;18.27,-40.33,;17.95,-41.82,;16.43,-41.97,;15.82,-40.58,;16.96,-39.56,;16.95,-38.01,;15.62,-37.25,;14.28,-38.02,;12.95,-37.25,;12.95,-35.7,;14.28,-34.93,;15.61,-35.7,;16.94,-34.92,;18.28,-37.25,;18.28,-35.71,;24.93,-42.65,;24.93,-44.19,)|
CN1CCCc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3ccccc3Cl)c4=O)ccc12 |(38.43,-46.29,;39.76,-45.52,;41.09,-46.3,;42.43,-45.53,;42.44,-43.99,;41.11,-43.22,;41.1,-41.69,;39.77,-40.92,;39.78,-39.38,;38.45,-38.61,;38.45,-37.06,;37.12,-36.29,;35.79,-37.06,;35.78,-38.6,;37.11,-39.37,;34.45,-39.36,;34.13,-40.86,;32.61,-41.01,;31.99,-39.61,;33.13,-38.59,;33.13,-37.05,;31.79,-36.28,;30.46,-37.05,;29.12,-36.28,;29.13,-34.74,;30.45,-33.97,;31.79,-34.73,;33.12,-33.95,;34.45,-36.28,;34.45,-34.74,;38.44,-41.68,;38.43,-43.22,;39.77,-43.99,)|
CN1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3ccccc3Cl)c4=O)ccc2C2(CC2)C1 |(56.69,-46.11,;55.36,-45.33,;55.36,-43.79,;54.03,-43.02,;54.03,-41.48,;52.7,-40.72,;52.71,-39.18,;51.37,-38.41,;51.38,-36.86,;50.05,-36.09,;48.72,-36.85,;48.71,-38.4,;50.04,-39.17,;47.38,-39.16,;47.05,-40.65,;45.53,-40.81,;44.92,-39.41,;46.06,-38.39,;46.06,-36.84,;44.72,-36.08,;43.38,-36.85,;42.05,-36.08,;42.05,-34.53,;43.38,-33.76,;44.72,-34.53,;46.05,-33.75,;47.38,-36.08,;47.38,-34.54,;51.36,-41.48,;51.36,-43.02,;52.7,-43.79,;52.69,-45.31,;51.59,-46.4,;51.2,-44.91,;54.02,-46.1,)|
CC(=O)N1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3ccccc3Cl)c4=O)ccc2C2(CC2)C1 |(69.82,-47.04,;69.82,-45.5,;71.16,-44.73,;68.49,-44.72,;68.5,-43.18,;67.17,-42.41,;67.17,-40.88,;65.84,-40.11,;65.84,-38.57,;64.51,-37.8,;64.51,-36.25,;63.18,-35.48,;61.85,-36.25,;61.84,-37.79,;63.17,-38.56,;60.51,-38.55,;60.19,-40.05,;58.67,-40.2,;58.06,-38.8,;59.19,-37.78,;59.19,-36.24,;57.86,-35.47,;56.52,-36.24,;55.19,-35.47,;55.19,-33.93,;56.52,-33.16,;57.85,-33.92,;59.18,-33.14,;60.52,-35.47,;60.52,-33.93,;64.5,-40.87,;64.49,-42.41,;65.83,-43.18,;65.82,-44.71,;64.73,-45.79,;64.33,-44.3,;67.15,-45.49,)|
CN1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3ccccc3Cl)c4=O)ccc2C(C)(C)C1 |(14.17,-58.52,;12.84,-57.74,;12.85,-56.2,;11.52,-55.43,;11.52,-53.9,;10.19,-53.13,;10.19,-51.59,;8.86,-50.82,;8.86,-49.27,;7.53,-48.5,;6.2,-49.27,;6.19,-50.81,;7.52,-51.58,;4.86,-51.57,;4.54,-53.07,;3.02,-53.22,;2.41,-51.82,;3.55,-50.8,;3.54,-49.26,;2.21,-48.49,;.87,-49.26,;-.47,-48.49,;-.47,-46.95,;.87,-46.18,;2.2,-46.94,;3.53,-46.16,;4.87,-48.49,;4.87,-46.95,;8.85,-53.89,;8.85,-55.43,;10.18,-56.2,;10.17,-57.73,;9.08,-58.81,;8.68,-57.32,;11.51,-58.51,)|
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2ccnc2n(-c2c(Cl)cccc2Cl)c3=O)cc1 |(12.64,-19.06,;12.65,-17.52,;11.32,-16.75,;11.33,-15.22,;12.66,-14.45,;14,-15.22,;13.99,-16.76,;12.66,-12.91,;11.33,-12.14,;11.34,-10.6,;12.67,-9.84,;12.68,-8.3,;11.35,-7.53,;11.35,-5.98,;10.02,-5.21,;8.69,-5.98,;8.68,-7.52,;10.01,-8.29,;7.35,-8.28,;7.02,-9.77,;5.51,-9.92,;4.89,-8.53,;6.04,-7.51,;6.03,-5.97,;4.7,-5.2,;4.69,-3.65,;6.02,-2.87,;3.35,-2.89,;2.02,-3.65,;2.02,-5.2,;3.36,-5.97,;3.36,-7.51,;7.36,-5.2,;7.36,-3.66,;14,-10.61,;14.01,-12.14,)|
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2ccnc2n(-c2c(F)cccc2Cl)c3=O)cc1 |(26.63,-18.59,;26.64,-17.05,;25.31,-16.27,;25.31,-14.74,;26.65,-13.97,;27.99,-14.74,;27.98,-16.28,;26.65,-12.43,;25.32,-11.66,;25.32,-10.13,;26.66,-9.36,;26.66,-7.82,;25.33,-7.05,;25.33,-5.5,;24,-4.73,;22.67,-5.5,;22.66,-7.04,;23.99,-7.81,;21.34,-7.8,;21.01,-9.29,;19.49,-9.44,;18.88,-8.05,;20.02,-7.04,;20.02,-5.49,;18.68,-4.72,;17.34,-5.49,;17.34,-7.03,;16.01,-4.72,;16.01,-3.17,;17.34,-2.41,;18.68,-3.17,;20.01,-2.4,;21.34,-4.72,;21.34,-3.18,;27.99,-10.13,;27.99,-11.66,)|
CN1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3c(Cl)cccc3Cl)c4=O)ccc2C2(CC2)C1 |(43.1,-16.05,;41.77,-15.27,;41.78,-13.73,;40.45,-12.96,;40.45,-11.43,;39.12,-10.66,;39.12,-9.12,;37.79,-8.35,;37.79,-6.8,;36.46,-6.03,;35.13,-6.8,;35.12,-8.34,;36.45,-9.11,;33.79,-9.1,;33.47,-10.59,;31.95,-10.74,;31.34,-9.35,;32.47,-8.34,;32.47,-6.79,;31.14,-6.02,;31.13,-4.47,;32.46,-3.69,;29.8,-3.71,;28.47,-4.47,;28.46,-6.02,;29.8,-6.79,;29.8,-8.33,;33.79,-6.02,;33.79,-4.48,;37.78,-11.42,;37.77,-12.96,;39.11,-13.73,;39.1,-15.25,;38,-16.34,;37.61,-14.85,;40.44,-16.04,)|
CN1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3c(F)cccc3Cl)c4=O)ccc2C2(CC2)C1 |(56.61,-16.41,;55.29,-15.63,;55.3,-14.08,;53.96,-13.32,;53.96,-11.78,;52.63,-11.01,;52.63,-9.47,;51.3,-8.71,;51.3,-7.16,;49.97,-6.39,;48.64,-7.15,;48.63,-8.69,;49.96,-9.47,;47.3,-9.46,;46.98,-10.95,;45.46,-11.1,;44.85,-9.71,;45.98,-8.69,;45.98,-7.14,;44.65,-6.37,;43.31,-7.15,;43.31,-8.69,;41.98,-6.37,;41.98,-4.83,;43.31,-4.06,;44.65,-4.82,;45.97,-4.05,;47.3,-6.37,;47.31,-4.83,;51.29,-11.78,;51.29,-13.32,;52.62,-14.08,;52.62,-15.61,;51.52,-16.7,;51.12,-15.21,;53.95,-16.4,)|
CN1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3c(Cl)cccc3Cl)c4=O)ccc2C(C)(C)C1 |(70,-15.67,;68.68,-14.89,;68.68,-13.34,;67.35,-12.58,;67.35,-11.04,;66.02,-10.28,;66.02,-8.73,;64.69,-7.97,;64.69,-6.42,;63.36,-5.65,;62.03,-6.41,;62.02,-7.95,;63.35,-8.73,;60.69,-8.72,;60.37,-10.21,;58.85,-10.36,;58.23,-8.96,;59.37,-7.95,;59.37,-6.4,;58.04,-5.63,;58.03,-4.08,;59.36,-3.31,;56.69,-3.32,;55.36,-4.09,;55.36,-5.63,;56.7,-6.41,;56.7,-7.95,;60.69,-5.63,;60.69,-4.09,;64.68,-11.04,;64.67,-12.58,;66.01,-13.34,;66,-14.87,;64.9,-15.96,;64.51,-14.47,;67.34,-15.66,)|
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
FC(F)(F)CNc1nc(Nc2ccc3cn[nH]c3c2)nc2ccoc12
CC1(C)OCC(=O)Nc2cc(Nc3nc(NCC(F)(F)F)c4occc4n3)ccc12
FC(F)(F)CNc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2ccoc12
Cc1c2ccc(cc2[nH]n1)Nc3nc4ccoc4c(n3)NC5CC5
CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1